USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 53 ASN : amide:sc= -0.403 K(o=-0.4,f=-4!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0 K(o=-0.4,f=-1.4!) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 1.09 USER MOD Set 2.2: A 68 THR OG1 : rot -54:sc= 0.874 USER MOD Set 3.1: A 30 SER OG : rot 170:sc= 0.439 USER MOD Set 3.2: A 34 GLN : amide:sc= 0.221 K(o=0.66,f=-0.15) USER MOD Set 4.1: A 15 CYS SG : rot 59:sc= -1.91! USER MOD Set 4.2: A 25 TYR OH : rot -171:sc= 0.82 USER MOD Set 4.3: A 32 CYS SG : rot -95:sc= -4.05! USER MOD Set 5.1: A 18 GLN : amide:sc= -0.12 K(o=-0.26,f=-1.9!) USER MOD Set 5.2: A 23 TYR OH : rot 180:sc= 0.0348 USER MOD Set 5.3: A 87 TYR OH : rot 9:sc= -0.174 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.23) USER MOD Single : A 9 ASN : amide:sc= -1.05! C(o=-1!,f=-10!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00834 K(o=-0.0083,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.05 K(o=-1,f=-2.1!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -153:sc= -0.405 (180deg=-2.48) USER MOD Single : A 37 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= -0.106 (180deg=-0.601) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 173:sc= -0.62 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.191 USER MOD Single : A 59 ASN : amide:sc= -1.72! C(o=-1.7!,f=-7.3!) USER MOD Single : A 61 LYS NZ :NH3+ -134:sc= -0.0489 (180deg=-1.38) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0105 K(o=-0.011,f=-1.7!) USER MOD Single : A 72 THR OG1 : rot 92:sc= 0.913 USER MOD Single : A 73 ASN : amide:sc= -1.93! C(o=-1.9!,f=-6.7!) USER MOD Single : A 74 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.31) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.0661 (180deg=-0.688) USER MOD Single : A 79 THR OG1 : rot 159:sc= -2.62! USER MOD Single : A 80 ASN : amide:sc= -0.758 K(o=-0.76,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0172) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 40:sc= 0.101 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -43:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.528 -5.941 3.686 1.00 0.00 N ATOM 2 CA GLY A 1 45.665 -4.949 2.908 1.00 0.00 C ATOM 3 C GLY A 1 46.321 -3.843 2.153 1.00 0.00 C ATOM 4 O GLY A 1 47.277 -3.246 2.610 1.00 0.00 O ATOM 0 H1 GLY A 1 45.917 -6.642 4.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 47.175 -6.425 3.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 47.080 -5.431 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 45.069 -5.521 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.970 -4.495 3.615 1.00 0.00 H new ATOM 10 N GLY A 2 45.831 -3.540 0.981 1.00 0.00 N ATOM 11 CA GLY A 2 46.445 -2.442 0.181 1.00 0.00 C ATOM 12 C GLY A 2 45.910 -2.486 -1.251 1.00 0.00 C ATOM 13 O GLY A 2 45.900 -3.520 -1.889 1.00 0.00 O ATOM 0 H GLY A 2 45.034 -4.004 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 2 46.218 -1.477 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 2 47.530 -2.545 0.177 1.00 0.00 H new ATOM 17 N SER A 3 45.470 -1.363 -1.761 1.00 0.00 N ATOM 18 CA SER A 3 44.932 -1.311 -3.157 1.00 0.00 C ATOM 19 C SER A 3 45.952 -0.618 -4.067 1.00 0.00 C ATOM 20 O SER A 3 46.547 0.375 -3.699 1.00 0.00 O ATOM 21 CB SER A 3 43.627 -0.514 -3.164 1.00 0.00 C ATOM 22 OG SER A 3 42.603 -1.282 -2.544 1.00 0.00 O ATOM 0 H SER A 3 45.460 -0.471 -1.266 1.00 0.00 H new ATOM 0 HA SER A 3 44.747 -2.323 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 43.761 0.429 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 43.344 -0.268 -4.187 1.00 0.00 H new ATOM 0 HG SER A 3 41.766 -0.773 -2.546 1.00 0.00 H new ATOM 28 N GLY A 4 46.155 -1.130 -5.253 1.00 0.00 N ATOM 29 CA GLY A 4 47.133 -0.497 -6.188 1.00 0.00 C ATOM 30 C GLY A 4 48.524 -1.102 -5.978 1.00 0.00 C ATOM 31 O GLY A 4 48.668 -2.192 -5.463 1.00 0.00 O ATOM 0 H GLY A 4 45.685 -1.960 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 46.813 -0.648 -7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.166 0.579 -6.019 1.00 0.00 H new ATOM 35 N TRP A 5 49.548 -0.400 -6.384 1.00 0.00 N ATOM 36 CA TRP A 5 50.935 -0.921 -6.220 1.00 0.00 C ATOM 37 C TRP A 5 51.246 -1.161 -4.753 1.00 0.00 C ATOM 38 O TRP A 5 50.900 -0.380 -3.889 1.00 0.00 O ATOM 39 CB TRP A 5 51.935 0.087 -6.806 1.00 0.00 C ATOM 40 CG TRP A 5 53.327 -0.216 -6.323 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.136 -1.186 -6.812 1.00 0.00 C ATOM 42 CD2 TRP A 5 54.073 0.434 -5.253 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.336 -1.159 -6.122 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.345 -0.178 -5.152 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.775 1.490 -4.376 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.287 0.245 -4.212 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.719 1.917 -3.428 1.00 0.00 C ATOM 48 CH2 TRP A 5 55.973 1.297 -3.346 1.00 0.00 C ATOM 0 H TRP A 5 49.482 0.517 -6.825 1.00 0.00 H new ATOM 0 HA TRP A 5 51.019 -1.869 -6.751 1.00 0.00 H new ATOM 0 HB2 TRP A 5 51.904 0.049 -7.895 1.00 0.00 H new ATOM 0 HB3 TRP A 5 51.654 1.099 -6.515 1.00 0.00 H new ATOM 0 HD1 TRP A 5 53.886 -1.869 -7.610 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.118 -1.787 -6.308 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.813 1.977 -4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.252 -0.237 -4.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 54.477 2.729 -2.758 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.695 1.631 -2.616 1.00 0.00 H new ATOM 59 N ASN A 6 51.926 -2.244 -4.486 1.00 0.00 N ATOM 60 CA ASN A 6 52.318 -2.577 -3.094 1.00 0.00 C ATOM 61 C ASN A 6 53.814 -2.895 -3.064 1.00 0.00 C ATOM 62 O ASN A 6 54.321 -3.610 -3.907 1.00 0.00 O ATOM 63 CB ASN A 6 51.531 -3.802 -2.618 1.00 0.00 C ATOM 64 CG ASN A 6 50.046 -3.455 -2.515 1.00 0.00 C ATOM 65 OD1 ASN A 6 49.249 -3.900 -3.317 1.00 0.00 O ATOM 66 ND2 ASN A 6 49.636 -2.683 -1.547 1.00 0.00 N ATOM 0 H ASN A 6 52.229 -2.920 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 6 52.102 -1.733 -2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 6 51.673 -4.630 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 6 51.905 -4.132 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 6 48.646 -2.453 -1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 6 50.305 -2.310 -0.874 1.00 0.00 H new ATOM 73 N ALA A 7 54.524 -2.389 -2.096 1.00 0.00 N ATOM 74 CA ALA A 7 55.984 -2.685 -2.014 1.00 0.00 C ATOM 75 C ALA A 7 56.159 -4.111 -1.489 1.00 0.00 C ATOM 76 O ALA A 7 57.161 -4.452 -0.891 1.00 0.00 O ATOM 77 CB ALA A 7 56.651 -1.702 -1.052 1.00 0.00 C ATOM 0 H ALA A 7 54.160 -1.785 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 7 56.443 -2.588 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 7 57.718 -1.918 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.507 -0.684 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.205 -1.802 -0.063 1.00 0.00 H new ATOM 83 N ASP A 8 55.169 -4.937 -1.694 1.00 0.00 N ATOM 84 CA ASP A 8 55.228 -6.345 -1.196 1.00 0.00 C ATOM 85 C ASP A 8 55.841 -7.269 -2.254 1.00 0.00 C ATOM 86 O ASP A 8 55.856 -8.473 -2.091 1.00 0.00 O ATOM 87 CB ASP A 8 53.807 -6.815 -0.879 1.00 0.00 C ATOM 88 CG ASP A 8 53.843 -8.225 -0.286 1.00 0.00 C ATOM 89 OD1 ASP A 8 54.924 -8.678 0.053 1.00 0.00 O ATOM 90 OD2 ASP A 8 52.788 -8.823 -0.170 1.00 0.00 O ATOM 0 H ASP A 8 54.312 -4.695 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 8 55.850 -6.380 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 8 53.336 -6.128 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 8 53.202 -6.808 -1.786 1.00 0.00 H new ATOM 95 N ASN A 9 56.338 -6.731 -3.339 1.00 0.00 N ATOM 96 CA ASN A 9 56.937 -7.597 -4.403 1.00 0.00 C ATOM 97 C ASN A 9 58.218 -6.949 -4.908 1.00 0.00 C ATOM 98 O ASN A 9 58.713 -7.270 -5.971 1.00 0.00 O ATOM 99 CB ASN A 9 55.945 -7.739 -5.557 1.00 0.00 C ATOM 100 CG ASN A 9 55.552 -6.352 -6.064 1.00 0.00 C ATOM 101 OD1 ASN A 9 55.668 -5.376 -5.349 1.00 0.00 O ATOM 102 ND2 ASN A 9 55.093 -6.220 -7.277 1.00 0.00 N ATOM 0 H ASN A 9 56.355 -5.730 -3.535 1.00 0.00 H new ATOM 0 HA ASN A 9 57.161 -8.583 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 9 56.391 -8.320 -6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.060 -8.281 -5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 9 54.831 -5.298 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 9 54.996 -7.039 -7.877 1.00 0.00 H new ATOM 109 N VAL A 10 58.754 -6.030 -4.150 1.00 0.00 N ATOM 110 CA VAL A 10 60.007 -5.331 -4.560 1.00 0.00 C ATOM 111 C VAL A 10 61.045 -5.453 -3.441 1.00 0.00 C ATOM 112 O VAL A 10 60.769 -5.165 -2.293 1.00 0.00 O ATOM 113 CB VAL A 10 59.685 -3.853 -4.805 1.00 0.00 C ATOM 114 CG1 VAL A 10 58.668 -3.728 -5.944 1.00 0.00 C ATOM 115 CG2 VAL A 10 59.104 -3.234 -3.528 1.00 0.00 C ATOM 0 H VAL A 10 58.372 -5.730 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 10 60.407 -5.779 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 10 60.599 -3.327 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 10 58.441 -2.676 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 10 59.084 -4.162 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 10 57.754 -4.257 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.876 -2.183 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.192 -3.762 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 10 59.831 -3.317 -2.720 1.00 0.00 H new ATOM 125 N ASP A 11 62.244 -5.868 -3.764 1.00 0.00 N ATOM 126 CA ASP A 11 63.304 -5.993 -2.718 1.00 0.00 C ATOM 127 C ASP A 11 64.135 -4.699 -2.718 1.00 0.00 C ATOM 128 O ASP A 11 64.383 -4.133 -3.764 1.00 0.00 O ATOM 129 CB ASP A 11 64.220 -7.178 -3.048 1.00 0.00 C ATOM 130 CG ASP A 11 63.396 -8.466 -3.112 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.488 -8.526 -3.924 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.691 -9.373 -2.350 1.00 0.00 O ATOM 0 H ASP A 11 62.535 -6.126 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 11 62.847 -6.156 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.721 -7.008 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 11 64.998 -7.270 -2.290 1.00 0.00 H new ATOM 137 N PRO A 12 64.562 -4.220 -1.572 1.00 0.00 N ATOM 138 CA PRO A 12 65.368 -2.965 -1.492 1.00 0.00 C ATOM 139 C PRO A 12 66.808 -3.169 -1.987 1.00 0.00 C ATOM 140 O PRO A 12 67.505 -2.225 -2.299 1.00 0.00 O ATOM 141 CB PRO A 12 65.342 -2.624 0.004 1.00 0.00 C ATOM 142 CG PRO A 12 65.211 -3.945 0.685 1.00 0.00 C ATOM 143 CD PRO A 12 64.338 -4.805 -0.234 1.00 0.00 C ATOM 0 HA PRO A 12 64.966 -2.173 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.252 -2.108 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.507 -1.967 0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.188 -4.404 0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.753 -3.834 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.632 -5.854 -0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.287 -4.759 0.053 1.00 0.00 H new ATOM 151 N SER A 13 67.255 -4.393 -2.057 1.00 0.00 N ATOM 152 CA SER A 13 68.645 -4.654 -2.528 1.00 0.00 C ATOM 153 C SER A 13 68.760 -4.357 -4.029 1.00 0.00 C ATOM 154 O SER A 13 69.810 -3.984 -4.513 1.00 0.00 O ATOM 155 CB SER A 13 69.006 -6.117 -2.267 1.00 0.00 C ATOM 156 OG SER A 13 68.214 -6.951 -3.102 1.00 0.00 O ATOM 0 H SER A 13 66.718 -5.224 -1.808 1.00 0.00 H new ATOM 0 HA SER A 13 69.332 -4.004 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 13 70.065 -6.284 -2.466 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.836 -6.365 -1.219 1.00 0.00 H new ATOM 0 HG SER A 13 68.444 -7.890 -2.939 1.00 0.00 H new ATOM 162 N GLN A 14 67.697 -4.530 -4.776 1.00 0.00 N ATOM 163 CA GLN A 14 67.765 -4.260 -6.245 1.00 0.00 C ATOM 164 C GLN A 14 67.421 -2.796 -6.523 1.00 0.00 C ATOM 165 O GLN A 14 67.665 -2.286 -7.598 1.00 0.00 O ATOM 166 CB GLN A 14 66.754 -5.147 -6.972 1.00 0.00 C ATOM 167 CG GLN A 14 67.210 -6.605 -6.919 1.00 0.00 C ATOM 168 CD GLN A 14 66.152 -7.488 -7.585 1.00 0.00 C ATOM 169 OE1 GLN A 14 65.002 -7.109 -7.677 1.00 0.00 O ATOM 170 NE2 GLN A 14 66.493 -8.656 -8.057 1.00 0.00 N ATOM 0 H GLN A 14 66.789 -4.845 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 14 68.774 -4.473 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 14 65.771 -5.047 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 14 66.654 -4.825 -8.009 1.00 0.00 H new ATOM 0 HG2 GLN A 14 68.167 -6.718 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.360 -6.914 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 14 67.459 -8.975 -7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 14 65.794 -9.250 -8.503 1.00 0.00 H new ATOM 179 N CYS A 15 66.852 -2.119 -5.566 1.00 0.00 N ATOM 180 CA CYS A 15 66.488 -0.688 -5.774 1.00 0.00 C ATOM 181 C CYS A 15 67.753 0.167 -5.786 1.00 0.00 C ATOM 182 O CYS A 15 67.795 1.220 -6.389 1.00 0.00 O ATOM 183 CB CYS A 15 65.574 -0.224 -4.644 1.00 0.00 C ATOM 184 SG CYS A 15 64.931 1.424 -5.028 1.00 0.00 S ATOM 0 H CYS A 15 66.622 -2.495 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 15 65.970 -0.584 -6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.751 -0.927 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.124 -0.202 -3.703 1.00 0.00 H new ATOM 0 HG CYS A 15 64.275 1.383 -6.149 1.00 0.00 H new ATOM 189 N ILE A 16 68.782 -0.275 -5.107 1.00 0.00 N ATOM 190 CA ILE A 16 70.059 0.502 -5.052 1.00 0.00 C ATOM 191 C ILE A 16 71.181 -0.335 -5.670 1.00 0.00 C ATOM 192 O ILE A 16 71.336 -1.502 -5.369 1.00 0.00 O ATOM 193 CB ILE A 16 70.388 0.810 -3.580 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.407 -0.508 -2.734 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.326 1.772 -3.025 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.790 -0.721 -2.102 1.00 0.00 C ATOM 0 H ILE A 16 68.792 -1.150 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 16 69.959 1.435 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 16 71.375 1.269 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 16 69.648 -0.457 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.156 -1.358 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.549 1.998 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.332 2.695 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.343 1.307 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.785 -1.641 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.542 -0.794 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.026 0.121 -1.451 1.00 0.00 H new ATOM 208 N LYS A 17 71.963 0.255 -6.544 1.00 0.00 N ATOM 209 CA LYS A 17 73.080 -0.497 -7.204 1.00 0.00 C ATOM 210 C LYS A 17 74.408 0.187 -6.873 1.00 0.00 C ATOM 211 O LYS A 17 74.507 1.399 -6.866 1.00 0.00 O ATOM 212 CB LYS A 17 72.853 -0.501 -8.718 1.00 0.00 C ATOM 213 CG LYS A 17 71.608 -1.340 -9.030 1.00 0.00 C ATOM 214 CD LYS A 17 71.444 -1.497 -10.548 1.00 0.00 C ATOM 215 CE LYS A 17 71.023 -0.166 -11.181 1.00 0.00 C ATOM 216 NZ LYS A 17 70.485 -0.417 -12.549 1.00 0.00 N ATOM 0 H LYS A 17 71.875 1.230 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 17 73.107 -1.525 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.722 0.518 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.723 -0.913 -9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.695 -2.321 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 17 70.723 -0.863 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 17 72.382 -1.836 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 17 70.697 -2.261 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.267 0.320 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.876 0.511 -11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.199 0.485 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.220 -0.863 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.661 -1.048 -12.487 1.00 0.00 H new ATOM 230 N GLN A 18 75.425 -0.586 -6.581 1.00 0.00 N ATOM 231 CA GLN A 18 76.751 0.004 -6.223 1.00 0.00 C ATOM 232 C GLN A 18 77.696 -0.034 -7.429 1.00 0.00 C ATOM 233 O GLN A 18 77.960 -1.075 -7.995 1.00 0.00 O ATOM 234 CB GLN A 18 77.353 -0.790 -5.057 1.00 0.00 C ATOM 235 CG GLN A 18 77.534 -2.260 -5.456 1.00 0.00 C ATOM 236 CD GLN A 18 77.756 -3.106 -4.202 1.00 0.00 C ATOM 237 OE1 GLN A 18 77.114 -2.900 -3.192 1.00 0.00 O ATOM 238 NE2 GLN A 18 78.646 -4.060 -4.223 1.00 0.00 N ATOM 0 H GLN A 18 75.393 -1.605 -6.575 1.00 0.00 H new ATOM 0 HA GLN A 18 76.616 1.044 -5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.314 -0.361 -4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.703 -0.719 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.654 -2.613 -5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.383 -2.362 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 18 79.186 -4.235 -5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.801 -4.631 -3.392 1.00 0.00 H new ATOM 247 N SER A 19 78.213 1.109 -7.819 1.00 0.00 N ATOM 248 CA SER A 19 79.158 1.173 -8.980 1.00 0.00 C ATOM 249 C SER A 19 80.456 1.861 -8.543 1.00 0.00 C ATOM 250 O SER A 19 80.632 3.047 -8.747 1.00 0.00 O ATOM 251 CB SER A 19 78.516 1.977 -10.107 1.00 0.00 C ATOM 252 OG SER A 19 79.260 1.783 -11.303 1.00 0.00 O ATOM 0 H SER A 19 78.018 2.008 -7.378 1.00 0.00 H new ATOM 0 HA SER A 19 79.379 0.164 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 19 77.483 1.661 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.492 3.035 -9.847 1.00 0.00 H new ATOM 0 HG SER A 19 78.850 2.297 -12.030 1.00 0.00 H new ATOM 258 N GLY A 20 81.373 1.136 -7.951 1.00 0.00 N ATOM 259 CA GLY A 20 82.662 1.764 -7.508 1.00 0.00 C ATOM 260 C GLY A 20 82.587 2.100 -6.014 1.00 0.00 C ATOM 261 O GLY A 20 82.467 3.248 -5.638 1.00 0.00 O ATOM 0 H GLY A 20 81.288 0.139 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.493 1.084 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 20 82.854 2.669 -8.085 1.00 0.00 H new ATOM 265 N VAL A 21 82.656 1.097 -5.171 1.00 0.00 N ATOM 266 CA VAL A 21 82.590 1.303 -3.684 1.00 0.00 C ATOM 267 C VAL A 21 81.656 2.463 -3.337 1.00 0.00 C ATOM 268 O VAL A 21 81.867 3.175 -2.377 1.00 0.00 O ATOM 269 CB VAL A 21 83.987 1.577 -3.113 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.813 0.298 -3.174 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.695 2.673 -3.916 1.00 0.00 C ATOM 0 H VAL A 21 82.757 0.123 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 21 82.197 0.389 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 21 83.884 1.911 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.807 0.487 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.324 -0.479 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 21 84.899 -0.030 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.684 2.852 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.795 2.356 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.110 3.592 -3.872 1.00 0.00 H new ATOM 281 N GLN A 22 80.631 2.659 -4.121 1.00 0.00 N ATOM 282 CA GLN A 22 79.664 3.777 -3.862 1.00 0.00 C ATOM 283 C GLN A 22 78.236 3.239 -3.911 1.00 0.00 C ATOM 284 O GLN A 22 77.983 2.195 -4.469 1.00 0.00 O ATOM 285 CB GLN A 22 79.832 4.865 -4.926 1.00 0.00 C ATOM 286 CG GLN A 22 79.513 4.293 -6.310 1.00 0.00 C ATOM 287 CD GLN A 22 79.788 5.357 -7.375 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.672 6.174 -7.220 1.00 0.00 O ATOM 289 NE2 GLN A 22 79.061 5.378 -8.460 1.00 0.00 N ATOM 0 H GLN A 22 80.416 2.089 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 22 79.862 4.200 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 22 79.171 5.704 -4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 22 80.852 5.249 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 22 80.121 3.408 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 22 78.470 3.979 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 22 78.318 4.691 -8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 22 79.236 6.081 -9.178 1.00 0.00 H new ATOM 298 N TYR A 23 77.299 3.961 -3.345 1.00 0.00 N ATOM 299 CA TYR A 23 75.865 3.526 -3.370 1.00 0.00 C ATOM 300 C TYR A 23 75.027 4.648 -3.983 1.00 0.00 C ATOM 301 O TYR A 23 75.146 5.797 -3.604 1.00 0.00 O ATOM 302 CB TYR A 23 75.375 3.254 -1.944 1.00 0.00 C ATOM 303 CG TYR A 23 75.948 1.947 -1.445 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.541 0.742 -2.029 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.883 1.938 -0.402 1.00 0.00 C ATOM 306 CE1 TYR A 23 76.066 -0.471 -1.570 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.409 0.724 0.056 1.00 0.00 C ATOM 308 CZ TYR A 23 77.000 -0.480 -0.527 1.00 0.00 C ATOM 309 OH TYR A 23 77.519 -1.677 -0.075 1.00 0.00 O ATOM 0 H TYR A 23 77.468 4.843 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 23 75.769 2.614 -3.959 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.676 4.068 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.286 3.215 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.821 0.748 -2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.198 2.867 0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.751 -1.401 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 23 78.131 0.717 0.860 1.00 0.00 H new ATOM 0 HH TYR A 23 78.154 -1.505 0.651 1.00 0.00 H new ATOM 319 N THR A 24 74.176 4.326 -4.928 1.00 0.00 N ATOM 320 CA THR A 24 73.320 5.373 -5.576 1.00 0.00 C ATOM 321 C THR A 24 71.884 4.867 -5.668 1.00 0.00 C ATOM 322 O THR A 24 71.634 3.678 -5.730 1.00 0.00 O ATOM 323 CB THR A 24 73.845 5.674 -6.983 1.00 0.00 C ATOM 324 OG1 THR A 24 73.958 4.461 -7.716 1.00 0.00 O ATOM 325 CG2 THR A 24 75.215 6.346 -6.889 1.00 0.00 C ATOM 0 H THR A 24 74.036 3.379 -5.280 1.00 0.00 H new ATOM 0 HA THR A 24 73.350 6.284 -4.978 1.00 0.00 H new ATOM 0 HB THR A 24 73.151 6.343 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.292 4.653 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.586 6.559 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.126 7.277 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 24 75.912 5.682 -6.378 1.00 0.00 H new ATOM 333 N TYR A 25 70.937 5.764 -5.673 1.00 0.00 N ATOM 334 CA TYR A 25 69.512 5.344 -5.754 1.00 0.00 C ATOM 335 C TYR A 25 69.151 5.063 -7.214 1.00 0.00 C ATOM 336 O TYR A 25 69.425 5.858 -8.091 1.00 0.00 O ATOM 337 CB TYR A 25 68.627 6.469 -5.215 1.00 0.00 C ATOM 338 CG TYR A 25 67.231 5.941 -4.994 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.990 5.028 -3.962 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.180 6.357 -5.819 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.700 4.530 -3.755 1.00 0.00 C ATOM 342 CE2 TYR A 25 64.887 5.860 -5.612 1.00 0.00 C ATOM 343 CZ TYR A 25 64.649 4.946 -4.579 1.00 0.00 C ATOM 344 OH TYR A 25 63.378 4.453 -4.373 1.00 0.00 O ATOM 0 H TYR A 25 71.090 6.771 -5.624 1.00 0.00 H new ATOM 0 HA TYR A 25 69.357 4.442 -5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.036 6.853 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.607 7.301 -5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.801 4.708 -3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 25 66.366 7.062 -6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 25 65.515 3.824 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.075 6.181 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 25 62.795 4.734 -5.109 1.00 0.00 H new ATOM 354 N ASN A 26 68.546 3.939 -7.492 1.00 0.00 N ATOM 355 CA ASN A 26 68.182 3.620 -8.902 1.00 0.00 C ATOM 356 C ASN A 26 66.872 4.320 -9.274 1.00 0.00 C ATOM 357 O ASN A 26 65.824 3.707 -9.324 1.00 0.00 O ATOM 358 CB ASN A 26 68.005 2.108 -9.046 1.00 0.00 C ATOM 359 CG ASN A 26 67.901 1.741 -10.526 1.00 0.00 C ATOM 360 OD1 ASN A 26 68.260 2.521 -11.385 1.00 0.00 O ATOM 361 ND2 ASN A 26 67.418 0.576 -10.864 1.00 0.00 N ATOM 0 H ASN A 26 68.289 3.230 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 26 68.975 3.966 -9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 26 68.848 1.588 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.108 1.785 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 26 67.342 0.322 -11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 26 67.116 -0.080 -10.143 1.00 0.00 H new ATOM 368 N SER A 27 66.920 5.596 -9.544 1.00 0.00 N ATOM 369 CA SER A 27 65.674 6.324 -9.920 1.00 0.00 C ATOM 370 C SER A 27 65.352 6.052 -11.390 1.00 0.00 C ATOM 371 O SER A 27 64.308 6.423 -11.888 1.00 0.00 O ATOM 372 CB SER A 27 65.864 7.827 -9.718 1.00 0.00 C ATOM 373 OG SER A 27 66.701 8.336 -10.748 1.00 0.00 O ATOM 0 H SER A 27 67.766 6.165 -9.521 1.00 0.00 H new ATOM 0 HA SER A 27 64.855 5.977 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.899 8.333 -9.734 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.309 8.021 -8.742 1.00 0.00 H new ATOM 0 HG SER A 27 66.824 9.300 -10.623 1.00 0.00 H new ATOM 379 N GLY A 28 66.248 5.414 -12.092 1.00 0.00 N ATOM 380 CA GLY A 28 65.998 5.127 -13.533 1.00 0.00 C ATOM 381 C GLY A 28 64.739 4.271 -13.678 1.00 0.00 C ATOM 382 O GLY A 28 63.945 4.472 -14.574 1.00 0.00 O ATOM 0 H GLY A 28 67.141 5.079 -11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.880 6.060 -14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.854 4.608 -13.964 1.00 0.00 H new ATOM 386 N VAL A 29 64.543 3.319 -12.805 1.00 0.00 N ATOM 387 CA VAL A 29 63.326 2.462 -12.908 1.00 0.00 C ATOM 388 C VAL A 29 62.141 3.186 -12.263 1.00 0.00 C ATOM 389 O VAL A 29 62.265 3.808 -11.225 1.00 0.00 O ATOM 390 CB VAL A 29 63.566 1.124 -12.203 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.683 0.367 -12.923 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.973 1.364 -10.747 1.00 0.00 C ATOM 0 H VAL A 29 65.168 3.099 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 29 63.107 2.270 -13.958 1.00 0.00 H new ATOM 0 HB VAL A 29 62.647 0.538 -12.225 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.857 -0.586 -12.424 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.392 0.187 -13.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.597 0.960 -12.901 1.00 0.00 H new ATOM 0 HG21 VAL A 29 64.142 0.407 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.889 1.954 -10.718 1.00 0.00 H new ATOM 0 HG23 VAL A 29 63.178 1.903 -10.231 1.00 0.00 H new ATOM 402 N SER A 30 60.997 3.119 -12.884 1.00 0.00 N ATOM 403 CA SER A 30 59.793 3.808 -12.337 1.00 0.00 C ATOM 404 C SER A 30 59.403 3.226 -10.975 1.00 0.00 C ATOM 405 O SER A 30 58.924 3.929 -10.111 1.00 0.00 O ATOM 406 CB SER A 30 58.626 3.642 -13.310 1.00 0.00 C ATOM 407 OG SER A 30 57.510 4.379 -12.830 1.00 0.00 O ATOM 0 H SER A 30 60.842 2.612 -13.755 1.00 0.00 H new ATOM 0 HA SER A 30 60.027 4.865 -12.210 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.911 3.994 -14.302 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.366 2.588 -13.409 1.00 0.00 H new ATOM 0 HG SER A 30 56.816 4.410 -13.522 1.00 0.00 H new ATOM 413 N VAL A 31 59.586 1.953 -10.774 1.00 0.00 N ATOM 414 CA VAL A 31 59.188 1.347 -9.468 1.00 0.00 C ATOM 415 C VAL A 31 59.904 2.072 -8.328 1.00 0.00 C ATOM 416 O VAL A 31 59.333 2.318 -7.283 1.00 0.00 O ATOM 417 CB VAL A 31 59.575 -0.138 -9.456 1.00 0.00 C ATOM 418 CG1 VAL A 31 59.388 -0.715 -8.050 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.691 -0.910 -10.437 1.00 0.00 C ATOM 0 H VAL A 31 59.991 1.306 -11.451 1.00 0.00 H new ATOM 0 HA VAL A 31 58.110 1.443 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 31 60.620 -0.233 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 31 59.665 -1.769 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 31 60.021 -0.173 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.345 -0.614 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 31 58.969 -1.964 -10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 31 57.646 -0.807 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 31 58.827 -0.510 -11.442 1.00 0.00 H new ATOM 429 N CYS A 32 61.147 2.410 -8.509 1.00 0.00 N ATOM 430 CA CYS A 32 61.886 3.112 -7.426 1.00 0.00 C ATOM 431 C CYS A 32 61.237 4.474 -7.143 1.00 0.00 C ATOM 432 O CYS A 32 61.127 4.892 -6.004 1.00 0.00 O ATOM 433 CB CYS A 32 63.341 3.318 -7.858 1.00 0.00 C ATOM 434 SG CYS A 32 64.242 1.756 -7.701 1.00 0.00 S ATOM 0 H CYS A 32 61.683 2.231 -9.358 1.00 0.00 H new ATOM 0 HA CYS A 32 61.853 2.508 -6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.379 3.671 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.810 4.085 -7.241 1.00 0.00 H new ATOM 0 HG CYS A 32 64.849 1.719 -6.552 1.00 0.00 H new ATOM 439 N MET A 33 60.810 5.181 -8.161 1.00 0.00 N ATOM 440 CA MET A 33 60.187 6.520 -7.924 1.00 0.00 C ATOM 441 C MET A 33 58.672 6.390 -7.700 1.00 0.00 C ATOM 442 O MET A 33 58.045 7.291 -7.182 1.00 0.00 O ATOM 443 CB MET A 33 60.454 7.427 -9.132 1.00 0.00 C ATOM 444 CG MET A 33 61.965 7.606 -9.340 1.00 0.00 C ATOM 445 SD MET A 33 62.722 8.357 -7.871 1.00 0.00 S ATOM 446 CE MET A 33 61.830 9.931 -7.921 1.00 0.00 C ATOM 0 H MET A 33 60.865 4.892 -9.138 1.00 0.00 H new ATOM 0 HA MET A 33 60.629 6.955 -7.028 1.00 0.00 H new ATOM 0 HB2 MET A 33 60.006 6.994 -10.026 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.984 8.398 -8.977 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.428 6.640 -9.542 1.00 0.00 H new ATOM 0 HG3 MET A 33 62.146 8.234 -10.212 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.432 10.706 -7.447 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.635 10.206 -8.958 1.00 0.00 H new ATOM 0 HE3 MET A 33 60.884 9.830 -7.389 1.00 0.00 H new ATOM 456 N GLN A 34 58.074 5.282 -8.059 1.00 0.00 N ATOM 457 CA GLN A 34 56.604 5.140 -7.819 1.00 0.00 C ATOM 458 C GLN A 34 56.331 5.258 -6.318 1.00 0.00 C ATOM 459 O GLN A 34 55.392 5.901 -5.894 1.00 0.00 O ATOM 460 CB GLN A 34 56.111 3.770 -8.318 1.00 0.00 C ATOM 461 CG GLN A 34 55.868 3.808 -9.831 1.00 0.00 C ATOM 462 CD GLN A 34 55.784 2.377 -10.368 1.00 0.00 C ATOM 463 OE1 GLN A 34 55.517 1.453 -9.624 1.00 0.00 O ATOM 464 NE2 GLN A 34 55.999 2.152 -11.635 1.00 0.00 N ATOM 0 H GLN A 34 58.529 4.483 -8.500 1.00 0.00 H new ATOM 0 HA GLN A 34 56.076 5.924 -8.361 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.848 3.003 -8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 34 55.190 3.498 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.945 4.345 -10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 34 56.675 4.348 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 34 56.223 2.927 -12.260 1.00 0.00 H new ATOM 0 HE22 GLN A 34 55.943 1.202 -12.001 1.00 0.00 H new ATOM 473 N GLY A 35 57.147 4.634 -5.514 1.00 0.00 N ATOM 474 CA GLY A 35 56.940 4.695 -4.041 1.00 0.00 C ATOM 475 C GLY A 35 57.492 6.012 -3.495 1.00 0.00 C ATOM 476 O GLY A 35 56.893 6.642 -2.647 1.00 0.00 O ATOM 0 H GLY A 35 57.951 4.083 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.878 4.611 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.438 3.854 -3.559 1.00 0.00 H new ATOM 480 N LEU A 36 58.635 6.428 -3.968 1.00 0.00 N ATOM 481 CA LEU A 36 59.221 7.704 -3.463 1.00 0.00 C ATOM 482 C LEU A 36 58.250 8.854 -3.750 1.00 0.00 C ATOM 483 O LEU A 36 57.966 9.669 -2.894 1.00 0.00 O ATOM 484 CB LEU A 36 60.553 7.970 -4.175 1.00 0.00 C ATOM 485 CG LEU A 36 61.358 9.050 -3.421 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.183 8.405 -2.301 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.308 9.760 -4.398 1.00 0.00 C ATOM 0 H LEU A 36 59.186 5.944 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 36 59.392 7.629 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 36 61.133 7.049 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.367 8.294 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 36 60.663 9.771 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.747 9.175 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 36 61.516 7.902 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.873 7.678 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.876 10.522 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.995 9.033 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 36 61.728 10.229 -5.193 1.00 0.00 H new ATOM 499 N ASN A 37 57.738 8.924 -4.950 1.00 0.00 N ATOM 500 CA ASN A 37 56.786 10.018 -5.298 1.00 0.00 C ATOM 501 C ASN A 37 55.495 9.874 -4.485 1.00 0.00 C ATOM 502 O ASN A 37 54.924 10.847 -4.030 1.00 0.00 O ATOM 503 CB ASN A 37 56.450 9.946 -6.789 1.00 0.00 C ATOM 504 CG ASN A 37 55.519 11.104 -7.158 1.00 0.00 C ATOM 505 OD1 ASN A 37 55.337 12.022 -6.383 1.00 0.00 O ATOM 506 ND2 ASN A 37 54.921 11.100 -8.317 1.00 0.00 N ATOM 0 H ASN A 37 57.939 8.269 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 37 57.250 10.977 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.363 9.997 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.973 8.994 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 37 54.300 11.868 -8.573 1.00 0.00 H new ATOM 0 HD22 ASN A 37 55.074 10.329 -8.967 1.00 0.00 H new ATOM 513 N GLU A 38 55.026 8.669 -4.307 1.00 0.00 N ATOM 514 CA GLU A 38 53.767 8.459 -3.535 1.00 0.00 C ATOM 515 C GLU A 38 53.950 8.985 -2.111 1.00 0.00 C ATOM 516 O GLU A 38 53.018 9.448 -1.485 1.00 0.00 O ATOM 517 CB GLU A 38 53.445 6.963 -3.489 1.00 0.00 C ATOM 518 CG GLU A 38 52.141 6.731 -2.719 1.00 0.00 C ATOM 519 CD GLU A 38 51.829 5.234 -2.690 1.00 0.00 C ATOM 520 OE1 GLU A 38 52.497 4.496 -3.396 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.927 4.851 -1.962 1.00 0.00 O ATOM 0 H GLU A 38 55.461 7.818 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 38 52.949 8.994 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.353 6.571 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 38 54.261 6.422 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 38 52.232 7.115 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 38 51.324 7.275 -3.193 1.00 0.00 H new ATOM 528 N GLY A 39 55.144 8.906 -1.590 1.00 0.00 N ATOM 529 CA GLY A 39 55.387 9.388 -0.199 1.00 0.00 C ATOM 530 C GLY A 39 55.178 8.232 0.782 1.00 0.00 C ATOM 531 O GLY A 39 55.014 8.434 1.969 1.00 0.00 O ATOM 0 H GLY A 39 55.963 8.528 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.401 9.777 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.709 10.208 0.038 1.00 0.00 H new ATOM 535 N LYS A 40 55.214 7.016 0.298 1.00 0.00 N ATOM 536 CA LYS A 40 55.053 5.838 1.197 1.00 0.00 C ATOM 537 C LYS A 40 56.454 5.349 1.505 1.00 0.00 C ATOM 538 O LYS A 40 56.681 4.496 2.340 1.00 0.00 O ATOM 539 CB LYS A 40 54.259 4.740 0.477 1.00 0.00 C ATOM 540 CG LYS A 40 53.998 3.573 1.434 1.00 0.00 C ATOM 541 CD LYS A 40 53.061 2.562 0.766 1.00 0.00 C ATOM 542 CE LYS A 40 52.886 1.345 1.676 1.00 0.00 C ATOM 543 NZ LYS A 40 52.394 1.789 3.012 1.00 0.00 N ATOM 0 H LYS A 40 55.349 6.790 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 40 54.513 6.098 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 40 53.313 5.142 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.813 4.390 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 40 54.938 3.091 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 40 53.554 3.940 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.093 3.023 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 40 53.469 2.253 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 40 52.180 0.644 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 53.834 0.818 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 51.745 1.074 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 53.201 1.908 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 51.892 2.695 2.914 1.00 0.00 H new ATOM 557 N VAL A 41 57.400 5.909 0.805 1.00 0.00 N ATOM 558 CA VAL A 41 58.822 5.536 0.985 1.00 0.00 C ATOM 559 C VAL A 41 59.658 6.812 1.045 1.00 0.00 C ATOM 560 O VAL A 41 59.243 7.865 0.600 1.00 0.00 O ATOM 561 CB VAL A 41 59.253 4.693 -0.214 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.736 4.345 -0.128 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.415 3.407 -0.261 1.00 0.00 C ATOM 0 H VAL A 41 57.238 6.627 0.099 1.00 0.00 H new ATOM 0 HA VAL A 41 58.960 4.968 1.905 1.00 0.00 H new ATOM 0 HB VAL A 41 59.091 5.270 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 41 61.020 3.745 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.325 5.262 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.925 3.779 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.721 2.804 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.568 2.839 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.360 3.664 -0.357 1.00 0.00 H new ATOM 573 N ARG A 42 60.832 6.715 1.589 1.00 0.00 N ATOM 574 CA ARG A 42 61.746 7.896 1.698 1.00 0.00 C ATOM 575 C ARG A 42 63.074 7.527 1.047 1.00 0.00 C ATOM 576 O ARG A 42 63.997 8.314 0.976 1.00 0.00 O ATOM 577 CB ARG A 42 61.964 8.222 3.180 1.00 0.00 C ATOM 578 CG ARG A 42 62.711 9.550 3.325 1.00 0.00 C ATOM 579 CD ARG A 42 62.699 9.978 4.792 1.00 0.00 C ATOM 580 NE ARG A 42 61.312 10.355 5.185 1.00 0.00 N ATOM 581 CZ ARG A 42 60.844 11.534 4.880 1.00 0.00 C ATOM 582 NH1 ARG A 42 61.589 12.380 4.221 1.00 0.00 N ATOM 583 NH2 ARG A 42 59.631 11.862 5.225 1.00 0.00 N ATOM 0 H ARG A 42 61.212 5.850 1.974 1.00 0.00 H new ATOM 0 HA ARG A 42 61.317 8.766 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 42 61.004 8.279 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.532 7.423 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.737 9.444 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.240 10.315 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.059 9.165 5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.373 10.821 4.942 1.00 0.00 H new ATOM 0 HE ARG A 42 60.728 9.691 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.536 12.119 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.224 13.302 3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 42 59.048 11.197 5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.265 12.784 4.987 1.00 0.00 H new ATOM 597 N GLY A 43 63.168 6.313 0.579 1.00 0.00 N ATOM 598 CA GLY A 43 64.430 5.828 -0.068 1.00 0.00 C ATOM 599 C GLY A 43 64.801 4.497 0.578 1.00 0.00 C ATOM 600 O GLY A 43 63.982 3.890 1.230 1.00 0.00 O ATOM 0 H GLY A 43 62.417 5.624 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.287 5.705 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.232 6.554 0.065 1.00 0.00 H new ATOM 604 N VAL A 44 66.018 4.030 0.415 1.00 0.00 N ATOM 605 CA VAL A 44 66.419 2.725 1.040 1.00 0.00 C ATOM 606 C VAL A 44 67.593 2.954 1.988 1.00 0.00 C ATOM 607 O VAL A 44 68.587 3.553 1.630 1.00 0.00 O ATOM 608 CB VAL A 44 66.824 1.737 -0.062 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.511 0.509 0.549 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.566 1.285 -0.802 1.00 0.00 C ATOM 0 H VAL A 44 66.750 4.494 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 44 65.580 2.314 1.602 1.00 0.00 H new ATOM 0 HB VAL A 44 67.516 2.227 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.793 -0.183 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.404 0.823 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.826 0.013 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.839 0.582 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.886 0.799 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.073 2.151 -1.244 1.00 0.00 H new ATOM 620 N SER A 45 67.490 2.466 3.191 1.00 0.00 N ATOM 621 CA SER A 45 68.601 2.641 4.157 1.00 0.00 C ATOM 622 C SER A 45 69.707 1.651 3.823 1.00 0.00 C ATOM 623 O SER A 45 69.445 0.516 3.464 1.00 0.00 O ATOM 624 CB SER A 45 68.101 2.366 5.575 1.00 0.00 C ATOM 625 OG SER A 45 67.544 1.057 5.629 1.00 0.00 O ATOM 0 H SER A 45 66.682 1.953 3.545 1.00 0.00 H new ATOM 0 HA SER A 45 68.977 3.662 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 45 68.922 2.455 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.352 3.105 5.859 1.00 0.00 H new ATOM 0 HG SER A 45 67.223 0.875 6.537 1.00 0.00 H new ATOM 631 N VAL A 46 70.945 2.062 3.956 1.00 0.00 N ATOM 632 CA VAL A 46 72.087 1.141 3.667 1.00 0.00 C ATOM 633 C VAL A 46 73.023 1.131 4.868 1.00 0.00 C ATOM 634 O VAL A 46 73.494 2.153 5.324 1.00 0.00 O ATOM 635 CB VAL A 46 72.841 1.602 2.414 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.644 2.875 2.705 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.794 0.494 1.958 1.00 0.00 C ATOM 0 H VAL A 46 71.214 3.000 4.254 1.00 0.00 H new ATOM 0 HA VAL A 46 71.708 0.135 3.485 1.00 0.00 H new ATOM 0 HB VAL A 46 72.116 1.817 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.172 3.186 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.967 3.668 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.365 2.677 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.331 0.820 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.508 0.278 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.223 -0.406 1.729 1.00 0.00 H new ATOM 647 N SER A 47 73.286 -0.031 5.373 1.00 0.00 N ATOM 648 CA SER A 47 74.190 -0.187 6.549 1.00 0.00 C ATOM 649 C SER A 47 75.240 -1.222 6.182 1.00 0.00 C ATOM 650 O SER A 47 74.970 -2.143 5.440 1.00 0.00 O ATOM 651 CB SER A 47 73.368 -0.669 7.745 1.00 0.00 C ATOM 652 OG SER A 47 72.379 -1.581 7.293 1.00 0.00 O ATOM 0 H SER A 47 72.905 -0.907 5.015 1.00 0.00 H new ATOM 0 HA SER A 47 74.669 0.756 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.016 -1.150 8.477 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.898 0.178 8.244 1.00 0.00 H new ATOM 0 HG SER A 47 71.924 -1.979 8.064 1.00 0.00 H new ATOM 658 N GLY A 48 76.437 -1.088 6.670 1.00 0.00 N ATOM 659 CA GLY A 48 77.472 -2.099 6.296 1.00 0.00 C ATOM 660 C GLY A 48 78.561 -2.193 7.358 1.00 0.00 C ATOM 661 O GLY A 48 78.921 -1.222 7.992 1.00 0.00 O ATOM 0 H GLY A 48 76.744 -0.344 7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.002 -3.074 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 48 77.917 -1.830 5.338 1.00 0.00 H new ATOM 665 N VAL A 49 79.105 -3.373 7.526 1.00 0.00 N ATOM 666 CA VAL A 49 80.203 -3.586 8.513 1.00 0.00 C ATOM 667 C VAL A 49 81.375 -4.240 7.785 1.00 0.00 C ATOM 668 O VAL A 49 81.222 -5.267 7.153 1.00 0.00 O ATOM 669 CB VAL A 49 79.725 -4.515 9.636 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.916 -4.922 10.512 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.698 -3.788 10.501 1.00 0.00 C ATOM 0 H VAL A 49 78.829 -4.209 7.012 1.00 0.00 H new ATOM 0 HA VAL A 49 80.503 -2.632 8.948 1.00 0.00 H new ATOM 0 HB VAL A 49 79.273 -5.403 9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.573 -5.582 11.309 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.655 -5.443 9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.368 -4.031 10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.360 -4.450 11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.153 -2.899 10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.847 -3.496 9.887 1.00 0.00 H new ATOM 681 N PHE A 50 82.548 -3.666 7.875 1.00 0.00 N ATOM 682 CA PHE A 50 83.736 -4.264 7.195 1.00 0.00 C ATOM 683 C PHE A 50 84.563 -5.027 8.230 1.00 0.00 C ATOM 684 O PHE A 50 84.930 -4.500 9.262 1.00 0.00 O ATOM 685 CB PHE A 50 84.567 -3.145 6.541 1.00 0.00 C ATOM 686 CG PHE A 50 83.937 -2.777 5.209 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.120 -3.626 4.112 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.151 -1.620 5.072 1.00 0.00 C ATOM 689 CE1 PHE A 50 83.528 -3.325 2.881 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.555 -1.324 3.838 1.00 0.00 C ATOM 691 CZ PHE A 50 82.744 -2.178 2.744 1.00 0.00 C ATOM 0 H PHE A 50 82.734 -2.807 8.392 1.00 0.00 H new ATOM 0 HA PHE A 50 83.421 -4.957 6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.604 -2.273 7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.595 -3.476 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 50 84.721 -4.517 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.006 -0.961 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 50 83.678 -3.980 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 50 81.949 -0.436 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 50 82.283 -1.949 1.794 1.00 0.00 H new ATOM 701 N TYR A 51 84.835 -6.279 7.968 1.00 0.00 N ATOM 702 CA TYR A 51 85.613 -7.114 8.933 1.00 0.00 C ATOM 703 C TYR A 51 87.092 -7.111 8.551 1.00 0.00 C ATOM 704 O TYR A 51 87.451 -7.403 7.427 1.00 0.00 O ATOM 705 CB TYR A 51 85.072 -8.545 8.891 1.00 0.00 C ATOM 706 CG TYR A 51 83.720 -8.590 9.565 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.555 -8.355 8.825 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.633 -8.862 10.936 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.305 -8.393 9.454 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.384 -8.901 11.564 1.00 0.00 C ATOM 711 CZ TYR A 51 81.220 -8.667 10.824 1.00 0.00 C ATOM 712 OH TYR A 51 79.990 -8.705 11.446 1.00 0.00 O ATOM 0 H TYR A 51 84.548 -6.764 7.118 1.00 0.00 H new ATOM 0 HA TYR A 51 85.510 -6.706 9.939 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.987 -8.883 7.858 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.764 -9.222 9.393 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.621 -8.144 7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.531 -9.042 11.509 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.407 -8.211 8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.318 -9.112 12.621 1.00 0.00 H new ATOM 0 HH TYR A 51 80.110 -8.909 12.397 1.00 0.00 H new ATOM 722 N TYR A 52 87.956 -6.777 9.484 1.00 0.00 N ATOM 723 CA TYR A 52 89.425 -6.744 9.191 1.00 0.00 C ATOM 724 C TYR A 52 90.142 -7.827 9.999 1.00 0.00 C ATOM 725 O TYR A 52 89.965 -7.941 11.198 1.00 0.00 O ATOM 726 CB TYR A 52 89.980 -5.372 9.575 1.00 0.00 C ATOM 727 CG TYR A 52 89.343 -4.316 8.702 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.839 -4.084 7.414 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.252 -3.577 9.176 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.248 -3.110 6.600 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.659 -2.604 8.363 1.00 0.00 C ATOM 732 CZ TYR A 52 88.158 -2.370 7.075 1.00 0.00 C ATOM 733 OH TYR A 52 87.574 -1.411 6.272 1.00 0.00 O ATOM 0 H TYR A 52 87.704 -6.525 10.440 1.00 0.00 H new ATOM 0 HA TYR A 52 89.587 -6.926 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.775 -5.165 10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.063 -5.357 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.678 -4.657 7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.868 -3.758 10.169 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.632 -2.930 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.817 -2.034 8.728 1.00 0.00 H new ATOM 0 HH TYR A 52 86.830 -0.991 6.752 1.00 0.00 H new ATOM 743 N ASN A 53 90.960 -8.615 9.351 1.00 0.00 N ATOM 744 CA ASN A 53 91.702 -9.688 10.072 1.00 0.00 C ATOM 745 C ASN A 53 92.443 -9.079 11.261 1.00 0.00 C ATOM 746 O ASN A 53 92.996 -9.780 12.089 1.00 0.00 O ATOM 747 CB ASN A 53 92.716 -10.328 9.122 1.00 0.00 C ATOM 748 CG ASN A 53 91.984 -11.197 8.097 1.00 0.00 C ATOM 749 OD1 ASN A 53 90.889 -11.661 8.349 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.543 -11.439 6.945 1.00 0.00 N ATOM 0 H ASN A 53 91.146 -8.560 8.350 1.00 0.00 H new ATOM 0 HA ASN A 53 91.000 -10.444 10.424 1.00 0.00 H new ATOM 0 HB2 ASN A 53 93.291 -9.554 8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.426 -10.933 9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.062 -12.017 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 53 93.462 -11.050 6.732 1.00 0.00 H new ATOM 757 N ASP A 54 92.455 -7.779 11.356 1.00 0.00 N ATOM 758 CA ASP A 54 93.154 -7.120 12.492 1.00 0.00 C ATOM 759 C ASP A 54 92.308 -7.296 13.754 1.00 0.00 C ATOM 760 O ASP A 54 92.658 -6.841 14.825 1.00 0.00 O ATOM 761 CB ASP A 54 93.322 -5.628 12.184 1.00 0.00 C ATOM 762 CG ASP A 54 94.323 -5.004 13.160 1.00 0.00 C ATOM 763 OD1 ASP A 54 94.542 -5.583 14.210 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.855 -3.954 12.839 1.00 0.00 O ATOM 0 H ASP A 54 92.010 -7.144 10.694 1.00 0.00 H new ATOM 0 HA ASP A 54 94.137 -7.567 12.642 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.669 -5.496 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.360 -5.121 12.262 1.00 0.00 H new ATOM 769 N GLY A 55 91.194 -7.967 13.634 1.00 0.00 N ATOM 770 CA GLY A 55 90.324 -8.188 14.821 1.00 0.00 C ATOM 771 C GLY A 55 89.474 -6.943 15.086 1.00 0.00 C ATOM 772 O GLY A 55 88.884 -6.803 16.139 1.00 0.00 O ATOM 0 H GLY A 55 90.850 -8.372 12.763 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.679 -9.050 14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 55 90.936 -8.413 15.694 1.00 0.00 H new ATOM 776 N THR A 56 89.399 -6.042 14.132 1.00 0.00 N ATOM 777 CA THR A 56 88.577 -4.797 14.315 1.00 0.00 C ATOM 778 C THR A 56 87.540 -4.694 13.200 1.00 0.00 C ATOM 779 O THR A 56 87.763 -5.118 12.088 1.00 0.00 O ATOM 780 CB THR A 56 89.487 -3.559 14.289 1.00 0.00 C ATOM 781 OG1 THR A 56 90.479 -3.720 13.286 1.00 0.00 O ATOM 782 CG2 THR A 56 90.157 -3.380 15.653 1.00 0.00 C ATOM 0 H THR A 56 89.873 -6.115 13.232 1.00 0.00 H new ATOM 0 HA THR A 56 88.068 -4.847 15.278 1.00 0.00 H new ATOM 0 HB THR A 56 88.888 -2.676 14.067 1.00 0.00 H new ATOM 0 HG1 THR A 56 91.058 -2.930 13.269 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.801 -2.501 15.629 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.393 -3.250 16.419 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.755 -4.262 15.883 1.00 0.00 H new ATOM 790 N THR A 57 86.400 -4.125 13.506 1.00 0.00 N ATOM 791 CA THR A 57 85.315 -3.978 12.488 1.00 0.00 C ATOM 792 C THR A 57 84.830 -2.531 12.476 1.00 0.00 C ATOM 793 O THR A 57 84.685 -1.905 13.508 1.00 0.00 O ATOM 794 CB THR A 57 84.138 -4.882 12.869 1.00 0.00 C ATOM 795 OG1 THR A 57 83.571 -4.419 14.085 1.00 0.00 O ATOM 796 CG2 THR A 57 84.628 -6.322 13.048 1.00 0.00 C ATOM 0 H THR A 57 86.173 -3.752 14.428 1.00 0.00 H new ATOM 0 HA THR A 57 85.699 -4.255 11.506 1.00 0.00 H new ATOM 0 HB THR A 57 83.388 -4.856 12.079 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.816 -4.993 14.333 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.788 -6.961 13.319 1.00 0.00 H new ATOM 0 HG22 THR A 57 85.067 -6.676 12.115 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.379 -6.355 13.838 1.00 0.00 H new ATOM 804 N SER A 58 84.558 -2.002 11.312 1.00 0.00 N ATOM 805 CA SER A 58 84.052 -0.601 11.203 1.00 0.00 C ATOM 806 C SER A 58 82.577 -0.669 10.830 1.00 0.00 C ATOM 807 O SER A 58 82.129 -1.641 10.264 1.00 0.00 O ATOM 808 CB SER A 58 84.821 0.141 10.106 1.00 0.00 C ATOM 809 OG SER A 58 84.615 -0.511 8.859 1.00 0.00 O ATOM 0 H SER A 58 84.666 -2.487 10.421 1.00 0.00 H new ATOM 0 HA SER A 58 84.187 -0.072 12.146 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.484 1.176 10.047 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.884 0.165 10.345 1.00 0.00 H new ATOM 0 HG SER A 58 85.106 -0.036 8.156 1.00 0.00 H new ATOM 815 N ASN A 59 81.810 0.342 11.133 1.00 0.00 N ATOM 816 CA ASN A 59 80.361 0.299 10.772 1.00 0.00 C ATOM 817 C ASN A 59 79.875 1.703 10.432 1.00 0.00 C ATOM 818 O ASN A 59 79.841 2.580 11.273 1.00 0.00 O ATOM 819 CB ASN A 59 79.551 -0.251 11.953 1.00 0.00 C ATOM 820 CG ASN A 59 79.594 0.742 13.118 1.00 0.00 C ATOM 821 OD1 ASN A 59 80.565 1.450 13.293 1.00 0.00 O ATOM 822 ND2 ASN A 59 78.571 0.828 13.925 1.00 0.00 N ATOM 0 H ASN A 59 82.118 1.189 11.610 1.00 0.00 H new ATOM 0 HA ASN A 59 80.226 -0.350 9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.519 -0.424 11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 59 79.956 -1.213 12.268 1.00 0.00 H new ATOM 0 HD21 ASN A 59 78.588 1.489 14.701 1.00 0.00 H new ATOM 0 HD22 ASN A 59 77.755 0.234 13.779 1.00 0.00 H new ATOM 829 N PHE A 60 79.471 1.910 9.204 1.00 0.00 N ATOM 830 CA PHE A 60 78.946 3.239 8.784 1.00 0.00 C ATOM 831 C PHE A 60 77.504 3.049 8.340 1.00 0.00 C ATOM 832 O PHE A 60 77.217 2.277 7.443 1.00 0.00 O ATOM 833 CB PHE A 60 79.793 3.795 7.636 1.00 0.00 C ATOM 834 CG PHE A 60 81.155 4.177 8.168 1.00 0.00 C ATOM 835 CD1 PHE A 60 81.344 5.432 8.761 1.00 0.00 C ATOM 836 CD2 PHE A 60 82.224 3.277 8.079 1.00 0.00 C ATOM 837 CE1 PHE A 60 82.603 5.787 9.263 1.00 0.00 C ATOM 838 CE2 PHE A 60 83.482 3.632 8.581 1.00 0.00 C ATOM 839 CZ PHE A 60 83.671 4.887 9.171 1.00 0.00 C ATOM 0 H PHE A 60 79.484 1.204 8.468 1.00 0.00 H new ATOM 0 HA PHE A 60 78.992 3.950 9.609 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.893 3.050 6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.304 4.664 7.194 1.00 0.00 H new ATOM 0 HD1 PHE A 60 80.519 6.126 8.831 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.078 2.309 7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 60 82.749 6.754 9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 60 84.306 2.938 8.513 1.00 0.00 H new ATOM 0 HZ PHE A 60 84.642 5.161 9.556 1.00 0.00 H new ATOM 849 N LYS A 61 76.591 3.743 8.964 1.00 0.00 N ATOM 850 CA LYS A 61 75.158 3.620 8.606 1.00 0.00 C ATOM 851 C LYS A 61 74.708 4.936 8.007 1.00 0.00 C ATOM 852 O LYS A 61 75.256 5.985 8.279 1.00 0.00 O ATOM 853 CB LYS A 61 74.344 3.326 9.858 1.00 0.00 C ATOM 854 CG LYS A 61 74.697 1.932 10.345 1.00 0.00 C ATOM 855 CD LYS A 61 73.891 1.603 11.606 1.00 0.00 C ATOM 856 CE LYS A 61 74.258 0.200 12.094 1.00 0.00 C ATOM 857 NZ LYS A 61 73.767 -0.813 11.117 1.00 0.00 N ATOM 0 H LYS A 61 76.786 4.400 9.719 1.00 0.00 H new ATOM 0 HA LYS A 61 75.014 2.809 7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.559 4.063 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 61 73.278 3.393 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 61 74.485 1.200 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 61 75.764 1.871 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 61 74.099 2.337 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.823 1.658 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 61 75.339 0.115 12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 61 73.818 0.018 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 73.294 -1.586 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 73.093 -0.366 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 74.571 -1.195 10.579 1.00 0.00 H new ATOM 871 N GLY A 62 73.722 4.882 7.190 1.00 0.00 N ATOM 872 CA GLY A 62 73.232 6.137 6.553 1.00 0.00 C ATOM 873 C GLY A 62 71.980 5.871 5.721 1.00 0.00 C ATOM 874 O GLY A 62 71.470 4.768 5.677 1.00 0.00 O ATOM 0 H GLY A 62 73.224 4.032 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.012 6.878 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.013 6.557 5.919 1.00 0.00 H new ATOM 878 N VAL A 63 71.485 6.891 5.064 1.00 0.00 N ATOM 879 CA VAL A 63 70.260 6.751 4.220 1.00 0.00 C ATOM 880 C VAL A 63 70.599 7.106 2.770 1.00 0.00 C ATOM 881 O VAL A 63 71.157 8.149 2.492 1.00 0.00 O ATOM 882 CB VAL A 63 69.188 7.700 4.751 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.920 7.578 3.905 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.873 7.334 6.201 1.00 0.00 C ATOM 0 H VAL A 63 71.885 7.829 5.078 1.00 0.00 H new ATOM 0 HA VAL A 63 69.893 5.725 4.257 1.00 0.00 H new ATOM 0 HB VAL A 63 69.552 8.726 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.159 8.258 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.147 7.835 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.549 6.554 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.108 8.007 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.510 6.307 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.776 7.426 6.804 1.00 0.00 H new ATOM 894 N VAL A 64 70.282 6.239 1.843 1.00 0.00 N ATOM 895 CA VAL A 64 70.599 6.516 0.409 1.00 0.00 C ATOM 896 C VAL A 64 69.420 7.198 -0.277 1.00 0.00 C ATOM 897 O VAL A 64 68.328 6.660 -0.359 1.00 0.00 O ATOM 898 CB VAL A 64 70.897 5.200 -0.311 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.196 5.478 -1.786 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.106 4.530 0.342 1.00 0.00 C ATOM 0 H VAL A 64 69.816 5.349 2.018 1.00 0.00 H new ATOM 0 HA VAL A 64 71.467 7.174 0.366 1.00 0.00 H new ATOM 0 HB VAL A 64 70.032 4.540 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.408 4.539 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.332 5.956 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.061 6.137 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.322 3.591 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.971 5.190 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.889 4.331 1.391 1.00 0.00 H new ATOM 910 N THR A 65 69.650 8.378 -0.785 1.00 0.00 N ATOM 911 CA THR A 65 68.586 9.140 -1.501 1.00 0.00 C ATOM 912 C THR A 65 69.206 9.728 -2.773 1.00 0.00 C ATOM 913 O THR A 65 70.393 9.982 -2.815 1.00 0.00 O ATOM 914 CB THR A 65 68.085 10.275 -0.599 1.00 0.00 C ATOM 915 OG1 THR A 65 69.198 10.922 -0.001 1.00 0.00 O ATOM 916 CG2 THR A 65 67.172 9.714 0.497 1.00 0.00 C ATOM 0 H THR A 65 70.550 8.856 -0.733 1.00 0.00 H new ATOM 0 HA THR A 65 67.748 8.491 -1.753 1.00 0.00 H new ATOM 0 HB THR A 65 67.520 10.988 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.883 11.649 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 65 66.822 10.528 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.316 9.218 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 65 67.727 8.996 1.101 1.00 0.00 H new ATOM 924 N PRO A 66 68.432 9.944 -3.806 1.00 0.00 N ATOM 925 CA PRO A 66 68.966 10.509 -5.078 1.00 0.00 C ATOM 926 C PRO A 66 69.711 11.832 -4.843 1.00 0.00 C ATOM 927 O PRO A 66 70.358 12.350 -5.731 1.00 0.00 O ATOM 928 CB PRO A 66 67.712 10.718 -5.959 1.00 0.00 C ATOM 929 CG PRO A 66 66.544 10.617 -5.024 1.00 0.00 C ATOM 930 CD PRO A 66 66.985 9.690 -3.895 1.00 0.00 C ATOM 0 HA PRO A 66 69.697 9.849 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.737 11.690 -6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.653 9.963 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 66 66.268 11.598 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.668 10.218 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.476 9.922 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.772 8.646 -4.123 1.00 0.00 H new ATOM 938 N SER A 67 69.612 12.388 -3.656 1.00 0.00 N ATOM 939 CA SER A 67 70.299 13.689 -3.368 1.00 0.00 C ATOM 940 C SER A 67 71.575 13.473 -2.540 1.00 0.00 C ATOM 941 O SER A 67 72.489 14.272 -2.605 1.00 0.00 O ATOM 942 CB SER A 67 69.344 14.593 -2.590 1.00 0.00 C ATOM 943 OG SER A 67 70.059 15.722 -2.102 1.00 0.00 O ATOM 0 H SER A 67 69.085 11.997 -2.875 1.00 0.00 H new ATOM 0 HA SER A 67 70.579 14.150 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.526 14.916 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.899 14.043 -1.761 1.00 0.00 H new ATOM 0 HG SER A 67 69.449 16.305 -1.604 1.00 0.00 H new ATOM 949 N THR A 68 71.652 12.419 -1.753 1.00 0.00 N ATOM 950 CA THR A 68 72.883 12.185 -0.920 1.00 0.00 C ATOM 951 C THR A 68 73.341 10.718 -1.043 1.00 0.00 C ATOM 952 O THR A 68 72.705 9.834 -0.508 1.00 0.00 O ATOM 953 CB THR A 68 72.555 12.470 0.551 1.00 0.00 C ATOM 954 OG1 THR A 68 71.518 11.598 0.980 1.00 0.00 O ATOM 955 CG2 THR A 68 72.101 13.923 0.708 1.00 0.00 C ATOM 0 H THR A 68 70.921 11.715 -1.652 1.00 0.00 H new ATOM 0 HA THR A 68 73.677 12.844 -1.272 1.00 0.00 H new ATOM 0 HB THR A 68 73.445 12.306 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.755 11.673 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 68 71.869 14.121 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 68 72.898 14.591 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 68 71.212 14.094 0.101 1.00 0.00 H new ATOM 963 N PRO A 69 74.443 10.446 -1.715 1.00 0.00 N ATOM 964 CA PRO A 69 74.962 9.055 -1.855 1.00 0.00 C ATOM 965 C PRO A 69 75.833 8.644 -0.655 1.00 0.00 C ATOM 966 O PRO A 69 76.282 9.478 0.104 1.00 0.00 O ATOM 967 CB PRO A 69 75.796 9.130 -3.133 1.00 0.00 C ATOM 968 CG PRO A 69 76.349 10.521 -3.138 1.00 0.00 C ATOM 969 CD PRO A 69 75.311 11.408 -2.426 1.00 0.00 C ATOM 0 HA PRO A 69 74.167 8.311 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.593 8.386 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.186 8.942 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.309 10.558 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.520 10.867 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.787 12.102 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.743 12.007 -3.138 1.00 0.00 H new ATOM 977 N VAL A 70 76.069 7.364 -0.484 1.00 0.00 N ATOM 978 CA VAL A 70 76.908 6.880 0.662 1.00 0.00 C ATOM 979 C VAL A 70 78.117 6.116 0.110 1.00 0.00 C ATOM 980 O VAL A 70 77.971 5.222 -0.700 1.00 0.00 O ATOM 981 CB VAL A 70 76.062 5.945 1.527 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.882 5.470 2.728 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.818 6.692 2.014 1.00 0.00 C ATOM 0 H VAL A 70 75.714 6.628 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 70 77.255 7.723 1.260 1.00 0.00 H new ATOM 0 HB VAL A 70 75.759 5.080 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.276 4.804 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.765 4.936 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.190 6.331 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.213 6.028 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.121 7.558 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.233 7.023 1.156 1.00 0.00 H new ATOM 993 N ASN A 71 79.315 6.472 0.524 1.00 0.00 N ATOM 994 CA ASN A 71 80.541 5.777 0.002 1.00 0.00 C ATOM 995 C ASN A 71 81.133 4.827 1.052 1.00 0.00 C ATOM 996 O ASN A 71 81.379 5.214 2.177 1.00 0.00 O ATOM 997 CB ASN A 71 81.589 6.832 -0.352 1.00 0.00 C ATOM 998 CG ASN A 71 81.134 7.612 -1.588 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.338 7.129 -2.369 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.610 8.807 -1.800 1.00 0.00 N ATOM 0 H ASN A 71 79.496 7.214 1.201 1.00 0.00 H new ATOM 0 HA ASN A 71 80.261 5.192 -0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.733 7.512 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.550 6.355 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 71 81.314 9.336 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 71 82.278 9.213 -1.145 1.00 0.00 H new ATOM 1007 N THR A 72 81.409 3.599 0.688 1.00 0.00 N ATOM 1008 CA THR A 72 82.036 2.642 1.656 1.00 0.00 C ATOM 1009 C THR A 72 83.555 2.734 1.464 1.00 0.00 C ATOM 1010 O THR A 72 84.320 1.995 2.052 1.00 0.00 O ATOM 1011 CB THR A 72 81.563 1.196 1.368 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.677 0.315 1.417 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.926 1.109 -0.022 1.00 0.00 C ATOM 0 H THR A 72 81.227 3.216 -0.240 1.00 0.00 H new ATOM 0 HA THR A 72 81.752 2.893 2.678 1.00 0.00 H new ATOM 0 HB THR A 72 80.826 0.915 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.774 -0.039 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.599 0.086 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 72 80.068 1.779 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 72 81.657 1.400 -0.776 1.00 0.00 H new ATOM 1021 N ASN A 73 83.984 3.643 0.625 1.00 0.00 N ATOM 1022 CA ASN A 73 85.442 3.817 0.352 1.00 0.00 C ATOM 1023 C ASN A 73 86.118 4.483 1.553 1.00 0.00 C ATOM 1024 O ASN A 73 87.167 5.086 1.432 1.00 0.00 O ATOM 1025 CB ASN A 73 85.616 4.704 -0.889 1.00 0.00 C ATOM 1026 CG ASN A 73 85.192 6.139 -0.567 1.00 0.00 C ATOM 1027 OD1 ASN A 73 84.633 6.399 0.480 1.00 0.00 O ATOM 1028 ND2 ASN A 73 85.434 7.086 -1.431 1.00 0.00 N ATOM 0 H ASN A 73 83.376 4.281 0.111 1.00 0.00 H new ATOM 0 HA ASN A 73 85.900 2.843 0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 73 86.656 4.687 -1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.017 4.314 -1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 73 85.154 8.046 -1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 73 85.903 6.867 -2.310 1.00 0.00 H new ATOM 1035 N GLN A 74 85.508 4.403 2.701 1.00 0.00 N ATOM 1036 CA GLN A 74 86.090 5.053 3.914 1.00 0.00 C ATOM 1037 C GLN A 74 87.606 4.814 3.985 1.00 0.00 C ATOM 1038 O GLN A 74 88.389 5.652 3.582 1.00 0.00 O ATOM 1039 CB GLN A 74 85.420 4.477 5.168 1.00 0.00 C ATOM 1040 CG GLN A 74 85.922 5.210 6.420 1.00 0.00 C ATOM 1041 CD GLN A 74 85.507 6.683 6.363 1.00 0.00 C ATOM 1042 OE1 GLN A 74 84.348 6.993 6.172 1.00 0.00 O ATOM 1043 NE2 GLN A 74 86.411 7.610 6.523 1.00 0.00 N ATOM 0 H GLN A 74 84.627 3.913 2.855 1.00 0.00 H new ATOM 0 HA GLN A 74 85.912 6.127 3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 74 84.337 4.576 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.638 3.412 5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 74 85.512 4.742 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 74 87.007 5.131 6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 74 87.384 7.351 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 74 86.144 8.594 6.488 1.00 0.00 H new ATOM 1052 N ASP A 75 88.024 3.683 4.506 1.00 0.00 N ATOM 1053 CA ASP A 75 89.493 3.382 4.621 1.00 0.00 C ATOM 1054 C ASP A 75 89.876 2.210 3.711 1.00 0.00 C ATOM 1055 O ASP A 75 90.128 1.116 4.173 1.00 0.00 O ATOM 1056 CB ASP A 75 89.817 3.013 6.074 1.00 0.00 C ATOM 1057 CG ASP A 75 89.767 4.268 6.949 1.00 0.00 C ATOM 1058 OD1 ASP A 75 89.868 5.354 6.402 1.00 0.00 O ATOM 1059 OD2 ASP A 75 89.636 4.122 8.153 1.00 0.00 O ATOM 0 H ASP A 75 87.409 2.950 4.859 1.00 0.00 H new ATOM 0 HA ASP A 75 90.058 4.264 4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.103 2.275 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 75 90.805 2.557 6.132 1.00 0.00 H new ATOM 1064 N ILE A 76 89.945 2.428 2.426 1.00 0.00 N ATOM 1065 CA ILE A 76 90.340 1.319 1.510 1.00 0.00 C ATOM 1066 C ILE A 76 91.823 0.999 1.713 1.00 0.00 C ATOM 1067 O ILE A 76 92.240 -0.137 1.595 1.00 0.00 O ATOM 1068 CB ILE A 76 90.084 1.700 0.049 1.00 0.00 C ATOM 1069 CG1 ILE A 76 88.582 1.935 -0.152 1.00 0.00 C ATOM 1070 CG2 ILE A 76 90.553 0.558 -0.868 1.00 0.00 C ATOM 1071 CD1 ILE A 76 88.315 2.407 -1.582 1.00 0.00 C ATOM 0 H ILE A 76 89.746 3.320 1.972 1.00 0.00 H new ATOM 0 HA ILE A 76 89.738 0.441 1.742 1.00 0.00 H new ATOM 0 HB ILE A 76 90.634 2.608 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 76 88.032 1.015 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 76 88.223 2.679 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 76 90.371 0.828 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 76 91.619 0.386 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 76 90.002 -0.351 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 76 87.246 2.572 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 76 88.852 3.338 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 76 88.657 1.648 -2.286 1.00 0.00 H new ATOM 1083 N ASN A 77 92.630 1.988 2.002 1.00 0.00 N ATOM 1084 CA ASN A 77 94.085 1.717 2.188 1.00 0.00 C ATOM 1085 C ASN A 77 94.247 0.597 3.211 1.00 0.00 C ATOM 1086 O ASN A 77 95.030 -0.306 3.030 1.00 0.00 O ATOM 1087 CB ASN A 77 94.785 2.980 2.702 1.00 0.00 C ATOM 1088 CG ASN A 77 94.875 4.011 1.575 1.00 0.00 C ATOM 1089 OD1 ASN A 77 95.423 3.735 0.525 1.00 0.00 O ATOM 1090 ND2 ASN A 77 94.358 5.195 1.749 1.00 0.00 N ATOM 0 H ASN A 77 92.347 2.961 2.116 1.00 0.00 H new ATOM 0 HA ASN A 77 94.530 1.424 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 77 94.234 3.396 3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 77 95.783 2.733 3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 77 94.413 5.890 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 77 93.898 5.426 2.630 1.00 0.00 H new ATOM 1097 N LYS A 78 93.500 0.644 4.276 1.00 0.00 N ATOM 1098 CA LYS A 78 93.588 -0.434 5.301 1.00 0.00 C ATOM 1099 C LYS A 78 93.161 -1.760 4.669 1.00 0.00 C ATOM 1100 O LYS A 78 93.795 -2.782 4.843 1.00 0.00 O ATOM 1101 CB LYS A 78 92.630 -0.096 6.446 1.00 0.00 C ATOM 1102 CG LYS A 78 92.740 -1.137 7.564 1.00 0.00 C ATOM 1103 CD LYS A 78 91.595 -0.918 8.550 1.00 0.00 C ATOM 1104 CE LYS A 78 91.806 -1.787 9.791 1.00 0.00 C ATOM 1105 NZ LYS A 78 93.036 -1.343 10.505 1.00 0.00 N ATOM 0 H LYS A 78 92.830 1.384 4.483 1.00 0.00 H new ATOM 0 HA LYS A 78 94.609 -0.516 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 78 92.860 0.894 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.606 -0.061 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.694 -2.144 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.700 -1.045 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.544 0.133 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.644 -1.166 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 78 90.942 -1.712 10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 78 91.898 -2.834 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 92.967 -1.603 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 93.868 -1.804 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 93.133 -0.311 10.421 1.00 0.00 H new ATOM 1119 N THR A 79 92.071 -1.747 3.952 1.00 0.00 N ATOM 1120 CA THR A 79 91.569 -2.997 3.318 1.00 0.00 C ATOM 1121 C THR A 79 92.621 -3.555 2.343 1.00 0.00 C ATOM 1122 O THR A 79 92.929 -4.720 2.361 1.00 0.00 O ATOM 1123 CB THR A 79 90.215 -2.688 2.633 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.207 -3.480 3.238 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.232 -2.971 1.122 1.00 0.00 C ATOM 0 H THR A 79 91.503 -0.918 3.777 1.00 0.00 H new ATOM 0 HA THR A 79 91.401 -3.774 4.064 1.00 0.00 H new ATOM 0 HB THR A 79 90.018 -1.624 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.330 -3.076 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.256 -2.736 0.697 1.00 0.00 H new ATOM 0 HG22 THR A 79 90.994 -2.355 0.645 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.458 -4.024 0.951 1.00 0.00 H new ATOM 1133 N ASN A 80 93.189 -2.742 1.508 1.00 0.00 N ATOM 1134 CA ASN A 80 94.223 -3.268 0.572 1.00 0.00 C ATOM 1135 C ASN A 80 95.396 -3.841 1.378 1.00 0.00 C ATOM 1136 O ASN A 80 95.996 -4.830 1.005 1.00 0.00 O ATOM 1137 CB ASN A 80 94.714 -2.147 -0.346 1.00 0.00 C ATOM 1138 CG ASN A 80 93.603 -1.785 -1.335 1.00 0.00 C ATOM 1139 OD1 ASN A 80 92.769 -2.608 -1.653 1.00 0.00 O ATOM 1140 ND2 ASN A 80 93.556 -0.583 -1.839 1.00 0.00 N ATOM 0 H ASN A 80 92.989 -1.745 1.429 1.00 0.00 H new ATOM 0 HA ASN A 80 93.789 -4.057 -0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 80 94.992 -1.273 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 80 95.607 -2.466 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.819 -0.335 -2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 80 94.256 0.109 -1.573 1.00 0.00 H new ATOM 1147 N LYS A 81 95.726 -3.218 2.471 1.00 0.00 N ATOM 1148 CA LYS A 81 96.860 -3.698 3.311 1.00 0.00 C ATOM 1149 C LYS A 81 96.540 -5.060 3.930 1.00 0.00 C ATOM 1150 O LYS A 81 97.351 -5.963 3.897 1.00 0.00 O ATOM 1151 CB LYS A 81 97.087 -2.701 4.455 1.00 0.00 C ATOM 1152 CG LYS A 81 98.343 -3.086 5.260 1.00 0.00 C ATOM 1153 CD LYS A 81 98.275 -2.453 6.653 1.00 0.00 C ATOM 1154 CE LYS A 81 99.574 -2.737 7.411 1.00 0.00 C ATOM 1155 NZ LYS A 81 99.575 -4.153 7.878 1.00 0.00 N ATOM 0 H LYS A 81 95.254 -2.386 2.825 1.00 0.00 H new ATOM 0 HA LYS A 81 97.744 -3.786 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.200 -1.695 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.217 -2.686 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.414 -4.170 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.239 -2.748 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.120 -1.377 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.425 -2.855 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.433 -2.555 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 81 99.667 -2.062 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.425 -4.329 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 98.727 -4.329 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 99.574 -4.790 7.056 1.00 0.00 H new ATOM 1169 N VAL A 82 95.391 -5.191 4.552 1.00 0.00 N ATOM 1170 CA VAL A 82 95.046 -6.474 5.248 1.00 0.00 C ATOM 1171 C VAL A 82 93.901 -7.220 4.538 1.00 0.00 C ATOM 1172 O VAL A 82 93.808 -8.430 4.612 1.00 0.00 O ATOM 1173 CB VAL A 82 94.659 -6.116 6.690 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.228 -5.571 6.748 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.787 -7.351 7.580 1.00 0.00 C ATOM 0 H VAL A 82 94.677 -4.465 4.608 1.00 0.00 H new ATOM 0 HA VAL A 82 95.902 -7.149 5.232 1.00 0.00 H new ATOM 0 HB VAL A 82 95.335 -5.341 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 82 92.974 -5.324 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.155 -4.675 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.536 -6.326 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 82 94.512 -7.093 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 82 94.124 -8.135 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 82 95.817 -7.708 7.561 1.00 0.00 H new ATOM 1185 N GLY A 83 93.039 -6.527 3.845 1.00 0.00 N ATOM 1186 CA GLY A 83 91.926 -7.214 3.128 1.00 0.00 C ATOM 1187 C GLY A 83 90.737 -7.414 4.064 1.00 0.00 C ATOM 1188 O GLY A 83 90.857 -7.360 5.271 1.00 0.00 O ATOM 0 H GLY A 83 93.057 -5.512 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.622 -6.624 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.267 -8.178 2.751 1.00 0.00 H new ATOM 1192 N VAL A 84 89.587 -7.652 3.495 1.00 0.00 N ATOM 1193 CA VAL A 84 88.349 -7.867 4.310 1.00 0.00 C ATOM 1194 C VAL A 84 87.969 -9.349 4.270 1.00 0.00 C ATOM 1195 O VAL A 84 87.743 -9.913 3.219 1.00 0.00 O ATOM 1196 CB VAL A 84 87.202 -7.052 3.708 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.002 -7.062 4.662 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.669 -5.613 3.469 1.00 0.00 C ATOM 0 H VAL A 84 89.447 -7.708 2.486 1.00 0.00 H new ATOM 0 HA VAL A 84 88.532 -7.555 5.338 1.00 0.00 H new ATOM 0 HB VAL A 84 86.902 -7.495 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.188 -6.480 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.671 -8.088 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.293 -6.624 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 84 86.853 -5.032 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.973 -5.167 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.514 -5.614 2.780 1.00 0.00 H new ATOM 1208 N GLN A 85 87.907 -9.988 5.406 1.00 0.00 N ATOM 1209 CA GLN A 85 87.550 -11.434 5.429 1.00 0.00 C ATOM 1210 C GLN A 85 86.057 -11.638 5.108 1.00 0.00 C ATOM 1211 O GLN A 85 85.715 -12.347 4.182 1.00 0.00 O ATOM 1212 CB GLN A 85 87.867 -12.009 6.813 1.00 0.00 C ATOM 1213 CG GLN A 85 87.504 -13.497 6.849 1.00 0.00 C ATOM 1214 CD GLN A 85 87.937 -14.099 8.187 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.676 -13.487 8.933 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.494 -15.277 8.531 1.00 0.00 N ATOM 0 H GLN A 85 88.088 -9.571 6.319 1.00 0.00 H new ATOM 0 HA GLN A 85 88.134 -11.952 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.925 -11.877 7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.309 -11.470 7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.430 -13.623 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 85 87.993 -14.021 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.874 -15.791 7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.768 -15.684 9.425 1.00 0.00 H new ATOM 1225 N LYS A 86 85.167 -11.046 5.881 1.00 0.00 N ATOM 1226 CA LYS A 86 83.690 -11.232 5.637 1.00 0.00 C ATOM 1227 C LYS A 86 83.029 -9.910 5.225 1.00 0.00 C ATOM 1228 O LYS A 86 83.400 -8.847 5.678 1.00 0.00 O ATOM 1229 CB LYS A 86 83.018 -11.735 6.920 1.00 0.00 C ATOM 1230 CG LYS A 86 81.582 -12.165 6.604 1.00 0.00 C ATOM 1231 CD LYS A 86 80.845 -12.532 7.897 1.00 0.00 C ATOM 1232 CE LYS A 86 81.539 -13.715 8.584 1.00 0.00 C ATOM 1233 NZ LYS A 86 80.571 -14.401 9.485 1.00 0.00 N ATOM 0 H LYS A 86 85.399 -10.442 6.670 1.00 0.00 H new ATOM 0 HA LYS A 86 83.569 -11.956 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.578 -12.574 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 86 83.017 -10.949 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 86 81.057 -11.358 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.591 -13.019 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 86 80.824 -11.674 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 86 79.809 -12.788 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 86 81.916 -14.414 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 86 82.399 -13.365 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 81.040 -15.203 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 80.232 -13.731 10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 79.764 -14.748 8.928 1.00 0.00 H new ATOM 1247 N TYR A 87 82.031 -9.986 4.374 1.00 0.00 N ATOM 1248 CA TYR A 87 81.292 -8.761 3.920 1.00 0.00 C ATOM 1249 C TYR A 87 79.805 -8.915 4.273 1.00 0.00 C ATOM 1250 O TYR A 87 79.199 -9.926 3.977 1.00 0.00 O ATOM 1251 CB TYR A 87 81.441 -8.608 2.403 1.00 0.00 C ATOM 1252 CG TYR A 87 80.599 -7.447 1.933 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.137 -6.156 1.915 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.278 -7.660 1.518 1.00 0.00 C ATOM 1255 CE1 TYR A 87 80.357 -5.077 1.486 1.00 0.00 C ATOM 1256 CE2 TYR A 87 78.498 -6.580 1.085 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.038 -5.289 1.070 1.00 0.00 C ATOM 1258 OH TYR A 87 78.268 -4.224 0.648 1.00 0.00 O ATOM 0 H TYR A 87 81.692 -10.858 3.969 1.00 0.00 H new ATOM 0 HA TYR A 87 81.701 -7.880 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.487 -8.442 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.130 -9.524 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.156 -5.992 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.861 -8.656 1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.773 -4.080 1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 87 77.480 -6.744 0.763 1.00 0.00 H new ATOM 0 HH TYR A 87 78.831 -3.426 0.564 1.00 0.00 H new ATOM 1268 N ARG A 88 79.205 -7.926 4.901 1.00 0.00 N ATOM 1269 CA ARG A 88 77.748 -8.028 5.265 1.00 0.00 C ATOM 1270 C ARG A 88 77.040 -6.698 4.967 1.00 0.00 C ATOM 1271 O ARG A 88 77.399 -5.663 5.495 1.00 0.00 O ATOM 1272 CB ARG A 88 77.609 -8.334 6.764 1.00 0.00 C ATOM 1273 CG ARG A 88 78.188 -9.718 7.102 1.00 0.00 C ATOM 1274 CD ARG A 88 77.207 -10.830 6.707 1.00 0.00 C ATOM 1275 NE ARG A 88 75.885 -10.583 7.349 1.00 0.00 N ATOM 1276 CZ ARG A 88 74.884 -11.386 7.110 1.00 0.00 C ATOM 1277 NH1 ARG A 88 75.030 -12.377 6.274 1.00 0.00 N ATOM 1278 NH2 ARG A 88 73.737 -11.195 7.702 1.00 0.00 N ATOM 0 H ARG A 88 79.659 -7.055 5.177 1.00 0.00 H new ATOM 0 HA ARG A 88 77.295 -8.827 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 88 78.125 -7.569 7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.558 -8.296 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 88 79.134 -9.859 6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 88 78.401 -9.777 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 88 77.096 -10.862 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 88 77.597 -11.800 7.016 1.00 0.00 H new ATOM 0 HE ARG A 88 75.762 -9.787 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 88 75.925 -12.524 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 88 74.249 -13.005 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 88 73.622 -10.418 8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 88 72.955 -11.823 7.514 1.00 0.00 H new ATOM 1292 N ALA A 89 76.026 -6.730 4.132 1.00 0.00 N ATOM 1293 CA ALA A 89 75.264 -5.485 3.794 1.00 0.00 C ATOM 1294 C ALA A 89 73.778 -5.700 4.098 1.00 0.00 C ATOM 1295 O ALA A 89 73.206 -6.711 3.739 1.00 0.00 O ATOM 1296 CB ALA A 89 75.440 -5.170 2.308 1.00 0.00 C ATOM 0 H ALA A 89 75.692 -7.574 3.667 1.00 0.00 H new ATOM 0 HA ALA A 89 75.640 -4.653 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.886 -4.264 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.497 -5.020 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.062 -6.001 1.713 1.00 0.00 H new ATOM 1302 N LEU A 90 73.151 -4.749 4.749 1.00 0.00 N ATOM 1303 CA LEU A 90 71.693 -4.869 5.082 1.00 0.00 C ATOM 1304 C LEU A 90 70.933 -3.742 4.384 1.00 0.00 C ATOM 1305 O LEU A 90 71.316 -2.590 4.438 1.00 0.00 O ATOM 1306 CB LEU A 90 71.508 -4.757 6.599 1.00 0.00 C ATOM 1307 CG LEU A 90 70.019 -4.825 6.977 1.00 0.00 C ATOM 1308 CD1 LEU A 90 69.418 -6.169 6.537 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.887 -4.675 8.498 1.00 0.00 C ATOM 0 H LEU A 90 73.591 -3.886 5.068 1.00 0.00 H new ATOM 0 HA LEU A 90 71.310 -5.832 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.050 -5.561 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.935 -3.819 6.953 1.00 0.00 H new ATOM 0 HG LEU A 90 69.481 -4.022 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 90 68.364 -6.203 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.516 -6.275 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.948 -6.984 7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.835 -4.722 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.430 -5.481 8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.302 -3.716 8.806 1.00 0.00 H new ATOM 1321 N THR A 91 69.862 -4.081 3.719 1.00 0.00 N ATOM 1322 CA THR A 91 69.049 -3.055 2.983 1.00 0.00 C ATOM 1323 C THR A 91 67.572 -3.160 3.381 1.00 0.00 C ATOM 1324 O THR A 91 66.961 -4.205 3.276 1.00 0.00 O ATOM 1325 CB THR A 91 69.180 -3.307 1.477 1.00 0.00 C ATOM 1326 OG1 THR A 91 69.043 -4.698 1.223 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.547 -2.830 0.981 1.00 0.00 C ATOM 0 H THR A 91 69.507 -5.035 3.650 1.00 0.00 H new ATOM 0 HA THR A 91 69.415 -2.060 3.236 1.00 0.00 H new ATOM 0 HB THR A 91 68.400 -2.756 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.339 -5.067 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.630 -3.014 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.652 -1.763 1.175 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.334 -3.373 1.504 1.00 0.00 H new ATOM 1335 N GLU A 92 67.000 -2.072 3.839 1.00 0.00 N ATOM 1336 CA GLU A 92 65.552 -2.084 4.250 1.00 0.00 C ATOM 1337 C GLU A 92 64.810 -0.885 3.656 1.00 0.00 C ATOM 1338 O GLU A 92 65.378 0.164 3.432 1.00 0.00 O ATOM 1339 CB GLU A 92 65.444 -2.037 5.774 1.00 0.00 C ATOM 1340 CG GLU A 92 63.973 -2.193 6.171 1.00 0.00 C ATOM 1341 CD GLU A 92 63.854 -2.287 7.692 1.00 0.00 C ATOM 1342 OE1 GLU A 92 64.872 -2.470 8.337 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.742 -2.192 8.185 1.00 0.00 O ATOM 0 H GLU A 92 67.470 -1.173 3.948 1.00 0.00 H new ATOM 0 HA GLU A 92 65.099 -3.002 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 92 66.041 -2.833 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.838 -1.093 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 92 63.396 -1.344 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.555 -3.087 5.708 1.00 0.00 H new ATOM 1350 N TRP A 93 63.533 -1.031 3.416 1.00 0.00 N ATOM 1351 CA TRP A 93 62.743 0.104 2.858 1.00 0.00 C ATOM 1352 C TRP A 93 62.575 1.173 3.939 1.00 0.00 C ATOM 1353 O TRP A 93 62.331 0.873 5.091 1.00 0.00 O ATOM 1354 CB TRP A 93 61.357 -0.391 2.414 1.00 0.00 C ATOM 1355 CG TRP A 93 61.460 -1.061 1.081 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.215 -2.369 0.846 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.829 -0.476 -0.199 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.407 -2.624 -0.501 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.788 -1.488 -1.187 1.00 0.00 C ATOM 1360 CE3 TRP A 93 62.191 0.822 -0.594 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 62.096 -1.220 -2.522 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 62.502 1.096 -1.935 1.00 0.00 C ATOM 1363 CH2 TRP A 93 62.455 0.077 -2.898 1.00 0.00 C ATOM 0 H TRP A 93 63.004 -1.887 3.583 1.00 0.00 H new ATOM 0 HA TRP A 93 63.266 0.521 1.998 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.956 -1.087 3.151 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.663 0.447 2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.918 -3.096 1.587 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.282 -3.539 -0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 93 62.230 1.614 0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 62.057 -2.009 -3.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.779 2.098 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 93 62.696 0.295 -3.928 1.00 0.00 H new ATOM 1374 N VAL A 94 62.696 2.419 3.564 1.00 0.00 N ATOM 1375 CA VAL A 94 62.544 3.537 4.544 1.00 0.00 C ATOM 1376 C VAL A 94 61.257 4.295 4.219 1.00 0.00 C ATOM 1377 O VAL A 94 61.103 4.847 3.143 1.00 0.00 O ATOM 1378 CB VAL A 94 63.749 4.474 4.411 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.676 5.598 5.452 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.030 3.669 4.626 1.00 0.00 C ATOM 0 H VAL A 94 62.896 2.714 2.608 1.00 0.00 H new ATOM 0 HA VAL A 94 62.495 3.154 5.563 1.00 0.00 H new ATOM 0 HB VAL A 94 63.744 4.919 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.540 6.253 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.763 6.174 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.673 5.167 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.894 4.328 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.018 3.225 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.094 2.880 3.877 1.00 0.00 H new ATOM 1390 N GLY A 95 60.339 4.333 5.146 1.00 0.00 N ATOM 1391 CA GLY A 95 59.054 5.055 4.912 1.00 0.00 C ATOM 1392 C GLY A 95 58.504 5.553 6.250 1.00 0.00 C ATOM 1393 O GLY A 95 58.298 6.734 6.445 1.00 0.00 O ATOM 0 H GLY A 95 60.424 3.892 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.213 5.895 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.333 4.392 4.433 1.00 0.00 H new ATOM 1397 N SER A 96 58.264 4.662 7.176 1.00 0.00 N ATOM 1398 CA SER A 96 57.728 5.089 8.501 1.00 0.00 C ATOM 1399 C SER A 96 58.890 5.498 9.409 1.00 0.00 C ATOM 1400 O SER A 96 59.829 4.753 9.608 1.00 0.00 O ATOM 1401 CB SER A 96 56.968 3.926 9.141 1.00 0.00 C ATOM 1402 OG SER A 96 56.539 4.306 10.443 1.00 0.00 O ATOM 0 H SER A 96 58.416 3.659 7.072 1.00 0.00 H new ATOM 0 HA SER A 96 57.053 5.935 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 96 56.109 3.656 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 96 57.608 3.046 9.199 1.00 0.00 H new ATOM 0 HG SER A 96 56.050 3.564 10.856 1.00 0.00 H new ATOM 1408 N ARG A 97 58.835 6.678 9.960 1.00 0.00 N ATOM 1409 CA ARG A 97 59.935 7.133 10.854 1.00 0.00 C ATOM 1410 C ARG A 97 60.009 6.207 12.071 1.00 0.00 C ATOM 1411 O ARG A 97 61.076 5.853 12.533 1.00 0.00 O ATOM 1412 CB ARG A 97 59.645 8.570 11.304 1.00 0.00 C ATOM 1413 CG ARG A 97 60.760 9.106 12.221 1.00 0.00 C ATOM 1414 CD ARG A 97 62.039 9.370 11.415 1.00 0.00 C ATOM 1415 NE ARG A 97 62.980 10.180 12.236 1.00 0.00 N ATOM 1416 CZ ARG A 97 64.105 10.592 11.721 1.00 0.00 C ATOM 1417 NH1 ARG A 97 64.404 10.304 10.484 1.00 0.00 N ATOM 1418 NH2 ARG A 97 64.932 11.293 12.445 1.00 0.00 N ATOM 0 H ARG A 97 58.076 7.347 9.830 1.00 0.00 H new ATOM 0 HA ARG A 97 60.888 7.104 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 97 59.549 9.214 10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 97 58.691 8.603 11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 97 60.431 10.026 12.704 1.00 0.00 H new ATOM 0 HG3 ARG A 97 60.965 8.386 13.013 1.00 0.00 H new ATOM 0 HD2 ARG A 97 62.505 8.426 11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 97 61.798 9.897 10.491 1.00 0.00 H new ATOM 0 HE ARG A 97 62.745 10.413 13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 97 63.757 9.755 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 97 65.285 10.627 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 97 64.699 11.518 13.412 1.00 0.00 H new ATOM 0 HH22 ARG A 97 65.813 11.616 12.044 1.00 0.00 H new ATOM 1432 N SER A 98 58.881 5.812 12.591 1.00 0.00 N ATOM 1433 CA SER A 98 58.878 4.911 13.777 1.00 0.00 C ATOM 1434 C SER A 98 57.501 4.262 13.920 1.00 0.00 C ATOM 1435 O SER A 98 56.573 4.964 14.289 1.00 0.00 O ATOM 1436 CB SER A 98 59.192 5.720 15.037 1.00 0.00 C ATOM 1437 OG SER A 98 60.288 6.587 14.779 1.00 0.00 O ATOM 0 H SER A 98 57.958 6.075 12.245 1.00 0.00 H new ATOM 0 HA SER A 98 59.634 4.137 13.645 1.00 0.00 H new ATOM 0 HB2 SER A 98 58.319 6.299 15.338 1.00 0.00 H new ATOM 0 HB3 SER A 98 59.430 5.050 15.863 1.00 0.00 H new ATOM 0 HG SER A 98 60.979 6.102 14.281 1.00 0.00 H new TER 1443 SER A 98