USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 18 GLN : amide:sc= -6.04! C(o=-5.8!,f=-13!) USER MOD Set 1.2: A 20 THR OG1 : rot 32:sc= 0.255 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 13 ASN : amide:sc= 1.15 K(o=1.2,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -1.24 (180deg=-4.08!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -140:sc= 0.0739 USER MOD Single : A 36 SER OG : rot 44:sc= 0.00737 USER MOD Single : A 41 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.044) USER MOD Single : A 45 SER OG : rot 70:sc= 0.414 USER MOD Single : A 55 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= -0.948 K(o=-0.95,f=-1.7) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.32 K(o=-1.3,f=-8.2!) USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.231 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.127 F(o=-0.66,f=-0.13) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 32:sc= 0.61 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.571 29.356 27.689 1.00 0.00 N ATOM 2 CA GLY A 1 2.334 28.049 27.106 1.00 0.00 C ATOM 3 C GLY A 1 3.439 27.062 27.428 1.00 0.00 C ATOM 4 O GLY A 1 4.434 27.418 28.058 1.00 0.00 O ATOM 0 H1 GLY A 1 1.784 29.602 28.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.459 29.339 28.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.641 30.066 26.932 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.384 27.658 27.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.243 28.148 26.024 1.00 0.00 H new ATOM 8 N SER A 2 3.262 25.817 26.997 1.00 0.00 N ATOM 9 CA SER A 2 4.249 24.773 27.247 1.00 0.00 C ATOM 10 C SER A 2 4.279 23.767 26.101 1.00 0.00 C ATOM 11 O SER A 2 3.342 23.685 25.308 1.00 0.00 O ATOM 12 CB SER A 2 3.941 24.056 28.563 1.00 0.00 C ATOM 13 OG SER A 2 2.648 23.477 28.537 1.00 0.00 O ATOM 0 H SER A 2 2.444 25.507 26.473 1.00 0.00 H new ATOM 0 HA SER A 2 5.229 25.244 27.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.686 23.281 28.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.010 24.762 29.390 1.00 0.00 H new ATOM 0 HG SER A 2 2.476 23.023 29.388 1.00 0.00 H new ATOM 19 N SER A 3 5.364 23.003 26.021 1.00 0.00 N ATOM 20 CA SER A 3 5.520 22.004 24.970 1.00 0.00 C ATOM 21 C SER A 3 6.503 20.918 25.395 1.00 0.00 C ATOM 22 O SER A 3 7.165 21.032 26.426 1.00 0.00 O ATOM 23 CB SER A 3 6.000 22.665 23.677 1.00 0.00 C ATOM 24 OG SER A 3 5.679 21.870 22.548 1.00 0.00 O ATOM 0 H SER A 3 6.148 23.057 26.671 1.00 0.00 H new ATOM 0 HA SER A 3 4.549 21.542 24.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.541 23.648 23.576 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.078 22.819 23.722 1.00 0.00 H new ATOM 0 HG SER A 3 5.995 22.315 21.734 1.00 0.00 H new ATOM 30 N GLY A 4 6.593 19.863 24.591 1.00 0.00 N ATOM 31 CA GLY A 4 7.497 18.770 24.899 1.00 0.00 C ATOM 32 C GLY A 4 7.143 17.497 24.157 1.00 0.00 C ATOM 33 O GLY A 4 6.029 16.988 24.281 1.00 0.00 O ATOM 0 H GLY A 4 6.056 19.746 23.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.516 19.063 24.645 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.478 18.579 25.972 1.00 0.00 H new ATOM 37 N SER A 5 8.091 16.982 23.382 1.00 0.00 N ATOM 38 CA SER A 5 7.871 15.763 22.612 1.00 0.00 C ATOM 39 C SER A 5 9.072 14.827 22.721 1.00 0.00 C ATOM 40 O SER A 5 10.195 15.199 22.383 1.00 0.00 O ATOM 41 CB SER A 5 7.607 16.103 21.144 1.00 0.00 C ATOM 42 OG SER A 5 7.025 15.005 20.463 1.00 0.00 O ATOM 0 H SER A 5 9.019 17.390 23.270 1.00 0.00 H new ATOM 0 HA SER A 5 6.998 15.255 23.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.945 16.967 21.081 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.542 16.382 20.658 1.00 0.00 H new ATOM 0 HG SER A 5 6.865 15.248 19.527 1.00 0.00 H new ATOM 48 N SER A 6 8.824 13.611 23.196 1.00 0.00 N ATOM 49 CA SER A 6 9.884 12.622 23.355 1.00 0.00 C ATOM 50 C SER A 6 9.344 11.209 23.152 1.00 0.00 C ATOM 51 O SER A 6 8.300 10.848 23.695 1.00 0.00 O ATOM 52 CB SER A 6 10.521 12.743 24.740 1.00 0.00 C ATOM 53 OG SER A 6 10.964 14.067 24.984 1.00 0.00 O ATOM 0 H SER A 6 7.899 13.287 23.477 1.00 0.00 H new ATOM 0 HA SER A 6 10.643 12.815 22.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.799 12.452 25.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.362 12.054 24.818 1.00 0.00 H new ATOM 0 HG SER A 6 11.366 14.118 25.876 1.00 0.00 H new ATOM 59 N GLY A 7 10.063 10.414 22.367 1.00 0.00 N ATOM 60 CA GLY A 7 9.641 9.050 22.105 1.00 0.00 C ATOM 61 C GLY A 7 10.728 8.223 21.448 1.00 0.00 C ATOM 62 O GLY A 7 10.844 8.201 20.223 1.00 0.00 O ATOM 0 H GLY A 7 10.931 10.690 21.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.346 8.578 23.042 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.760 9.062 21.463 1.00 0.00 H new ATOM 66 N GLU A 8 11.527 7.542 22.263 1.00 0.00 N ATOM 67 CA GLU A 8 12.611 6.712 21.752 1.00 0.00 C ATOM 68 C GLU A 8 12.152 5.268 21.569 1.00 0.00 C ATOM 69 O GLU A 8 11.653 4.642 22.503 1.00 0.00 O ATOM 70 CB GLU A 8 13.811 6.761 22.701 1.00 0.00 C ATOM 71 CG GLU A 8 15.111 6.302 22.061 1.00 0.00 C ATOM 72 CD GLU A 8 16.264 6.266 23.046 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.264 7.085 23.989 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.166 5.420 22.873 1.00 0.00 O ATOM 0 H GLU A 8 11.444 7.549 23.280 1.00 0.00 H new ATOM 0 HA GLU A 8 12.908 7.106 20.780 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.935 7.781 23.065 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.603 6.136 23.570 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.971 5.309 21.634 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.362 6.970 21.237 1.00 0.00 H new ATOM 81 N GLY A 9 12.324 4.747 20.358 1.00 0.00 N ATOM 82 CA GLY A 9 11.921 3.383 20.074 1.00 0.00 C ATOM 83 C GLY A 9 12.067 3.029 18.607 1.00 0.00 C ATOM 84 O GLY A 9 12.314 3.900 17.773 1.00 0.00 O ATOM 0 H GLY A 9 12.735 5.246 19.569 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.522 2.698 20.672 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.883 3.243 20.377 1.00 0.00 H new ATOM 88 N ASP A 10 11.916 1.747 18.292 1.00 0.00 N ATOM 89 CA ASP A 10 12.034 1.280 16.915 1.00 0.00 C ATOM 90 C ASP A 10 10.952 0.251 16.597 1.00 0.00 C ATOM 91 O ASP A 10 10.579 -0.572 17.432 1.00 0.00 O ATOM 92 CB ASP A 10 13.417 0.674 16.676 1.00 0.00 C ATOM 93 CG ASP A 10 13.884 -0.180 17.839 1.00 0.00 C ATOM 94 OD1 ASP A 10 13.042 -0.885 18.434 1.00 0.00 O ATOM 95 OD2 ASP A 10 15.092 -0.144 18.153 1.00 0.00 O ATOM 0 H ASP A 10 11.712 1.013 18.971 1.00 0.00 H new ATOM 0 HA ASP A 10 11.903 2.136 16.254 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.393 0.068 15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.137 1.475 16.505 1.00 0.00 H new ATOM 100 N PRO A 11 10.436 0.300 15.360 1.00 0.00 N ATOM 101 CA PRO A 11 9.390 -0.620 14.902 1.00 0.00 C ATOM 102 C PRO A 11 9.903 -2.047 14.738 1.00 0.00 C ATOM 103 O PRO A 11 11.097 -2.306 14.883 1.00 0.00 O ATOM 104 CB PRO A 11 8.977 -0.041 13.547 1.00 0.00 C ATOM 105 CG PRO A 11 10.173 0.711 13.076 1.00 0.00 C ATOM 106 CD PRO A 11 10.834 1.255 14.312 1.00 0.00 C ATOM 0 HA PRO A 11 8.571 -0.694 15.617 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.704 -0.830 12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.111 0.613 13.644 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.852 0.060 12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.886 1.517 12.400 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.917 1.301 14.201 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.493 2.265 14.538 1.00 0.00 H new ATOM 114 N GLU A 12 8.993 -2.967 14.435 1.00 0.00 N ATOM 115 CA GLU A 12 9.356 -4.367 14.252 1.00 0.00 C ATOM 116 C GLU A 12 9.506 -4.701 12.771 1.00 0.00 C ATOM 117 O GLU A 12 8.525 -4.989 12.086 1.00 0.00 O ATOM 118 CB GLU A 12 8.302 -5.277 14.887 1.00 0.00 C ATOM 119 CG GLU A 12 8.510 -5.502 16.376 1.00 0.00 C ATOM 120 CD GLU A 12 9.444 -6.660 16.666 1.00 0.00 C ATOM 121 OE1 GLU A 12 10.634 -6.568 16.298 1.00 0.00 O ATOM 122 OE2 GLU A 12 8.986 -7.658 17.261 1.00 0.00 O ATOM 0 H GLU A 12 8.000 -2.768 14.311 1.00 0.00 H new ATOM 0 HA GLU A 12 10.314 -4.535 14.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.315 -4.842 14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.311 -6.241 14.378 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.913 -4.594 16.824 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.546 -5.690 16.849 1.00 0.00 H new ATOM 129 N ASN A 13 10.742 -4.660 12.283 1.00 0.00 N ATOM 130 CA ASN A 13 11.021 -4.957 10.883 1.00 0.00 C ATOM 131 C ASN A 13 10.150 -4.108 9.962 1.00 0.00 C ATOM 132 O ASN A 13 9.880 -4.486 8.823 1.00 0.00 O ATOM 133 CB ASN A 13 10.787 -6.442 10.598 1.00 0.00 C ATOM 134 CG ASN A 13 11.718 -6.980 9.529 1.00 0.00 C ATOM 135 OD1 ASN A 13 12.607 -7.783 9.810 1.00 0.00 O ATOM 136 ND2 ASN A 13 11.517 -6.537 8.293 1.00 0.00 N ATOM 0 H ASN A 13 11.566 -4.424 12.836 1.00 0.00 H new ATOM 0 HA ASN A 13 12.066 -4.717 10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.926 -7.012 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.754 -6.590 10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.112 -6.863 7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.767 -5.871 8.105 1.00 0.00 H new ATOM 143 N GLY A 14 9.712 -2.958 10.466 1.00 0.00 N ATOM 144 CA GLY A 14 8.876 -2.073 9.676 1.00 0.00 C ATOM 145 C GLY A 14 7.661 -1.587 10.441 1.00 0.00 C ATOM 146 O GLY A 14 7.372 -2.075 11.533 1.00 0.00 O ATOM 0 H GLY A 14 9.921 -2.624 11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.465 -1.215 9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.550 -2.594 8.776 1.00 0.00 H new ATOM 150 N GLU A 15 6.950 -0.621 9.867 1.00 0.00 N ATOM 151 CA GLU A 15 5.761 -0.067 10.505 1.00 0.00 C ATOM 152 C GLU A 15 4.614 0.052 9.506 1.00 0.00 C ATOM 153 O GLU A 15 4.834 0.159 8.300 1.00 0.00 O ATOM 154 CB GLU A 15 6.071 1.304 11.108 1.00 0.00 C ATOM 155 CG GLU A 15 4.857 1.994 11.707 1.00 0.00 C ATOM 156 CD GLU A 15 5.229 3.181 12.574 1.00 0.00 C ATOM 157 OE1 GLU A 15 6.142 3.939 12.184 1.00 0.00 O ATOM 158 OE2 GLU A 15 4.607 3.352 13.644 1.00 0.00 O ATOM 0 H GLU A 15 7.176 -0.206 8.963 1.00 0.00 H new ATOM 0 HA GLU A 15 5.457 -0.746 11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.831 1.188 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.497 1.944 10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.200 2.327 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.293 1.276 12.303 1.00 0.00 H new ATOM 165 N LYS A 16 3.388 0.032 10.018 1.00 0.00 N ATOM 166 CA LYS A 16 2.204 0.138 9.173 1.00 0.00 C ATOM 167 C LYS A 16 1.931 1.591 8.799 1.00 0.00 C ATOM 168 O LYS A 16 1.720 2.438 9.668 1.00 0.00 O ATOM 169 CB LYS A 16 0.987 -0.452 9.889 1.00 0.00 C ATOM 170 CG LYS A 16 1.087 -1.949 10.127 1.00 0.00 C ATOM 171 CD LYS A 16 0.074 -2.419 11.157 1.00 0.00 C ATOM 172 CE LYS A 16 -1.292 -2.651 10.530 1.00 0.00 C ATOM 173 NZ LYS A 16 -1.398 -4.003 9.915 1.00 0.00 N ATOM 0 H LYS A 16 3.188 -0.057 11.014 1.00 0.00 H new ATOM 0 HA LYS A 16 2.389 -0.426 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.860 0.052 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.094 -0.245 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.925 -2.479 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.093 -2.198 10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.425 -3.342 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.010 -1.677 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.065 -2.536 11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.477 -1.891 9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.872 -3.928 8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.446 -4.401 9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.950 -4.626 10.538 1.00 0.00 H new ATOM 187 N LEU A 17 1.936 1.874 7.501 1.00 0.00 N ATOM 188 CA LEU A 17 1.687 3.225 7.011 1.00 0.00 C ATOM 189 C LEU A 17 0.619 3.222 5.922 1.00 0.00 C ATOM 190 O LEU A 17 0.644 2.386 5.018 1.00 0.00 O ATOM 191 CB LEU A 17 2.980 3.839 6.471 1.00 0.00 C ATOM 192 CG LEU A 17 4.184 3.804 7.412 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.482 3.843 6.621 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.124 4.961 8.399 1.00 0.00 C ATOM 0 H LEU A 17 2.110 1.186 6.769 1.00 0.00 H new ATOM 0 HA LEU A 17 1.327 3.827 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.248 3.320 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.782 4.877 6.205 1.00 0.00 H new ATOM 0 HG LEU A 17 4.153 2.871 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.328 3.817 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.529 2.981 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.521 4.759 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.989 4.920 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.129 5.905 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.211 4.888 8.990 1.00 0.00 H new ATOM 206 N GLN A 18 -0.315 4.162 6.014 1.00 0.00 N ATOM 207 CA GLN A 18 -1.391 4.268 5.035 1.00 0.00 C ATOM 208 C GLN A 18 -1.124 5.404 4.054 1.00 0.00 C ATOM 209 O GLN A 18 -0.506 6.409 4.406 1.00 0.00 O ATOM 210 CB GLN A 18 -2.730 4.491 5.741 1.00 0.00 C ATOM 211 CG GLN A 18 -3.877 4.788 4.788 1.00 0.00 C ATOM 212 CD GLN A 18 -4.041 6.270 4.516 1.00 0.00 C ATOM 213 OE1 GLN A 18 -3.817 6.736 3.398 1.00 0.00 O ATOM 214 NE2 GLN A 18 -4.434 7.020 5.538 1.00 0.00 N ATOM 0 H GLN A 18 -0.349 4.861 6.756 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.434 3.333 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.975 3.605 6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.628 5.319 6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.706 4.266 3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.803 4.395 5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.608 6.592 6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.562 8.024 5.414 1.00 0.00 H new ATOM 223 N ILE A 19 -1.594 5.238 2.822 1.00 0.00 N ATOM 224 CA ILE A 19 -1.407 6.250 1.790 1.00 0.00 C ATOM 225 C ILE A 19 -2.725 6.582 1.100 1.00 0.00 C ATOM 226 O ILE A 19 -3.498 5.690 0.749 1.00 0.00 O ATOM 227 CB ILE A 19 -0.387 5.792 0.731 1.00 0.00 C ATOM 228 CG1 ILE A 19 0.953 5.461 1.391 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.208 6.866 -0.332 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.593 6.642 2.086 1.00 0.00 C ATOM 0 H ILE A 19 -2.107 4.412 2.514 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.026 7.142 2.288 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.766 4.891 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.804 4.661 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.638 5.081 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.516 6.527 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.164 7.058 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.152 7.783 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.539 6.333 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.774 7.436 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.927 7.009 2.867 1.00 0.00 H new ATOM 242 N THR A 20 -2.977 7.873 0.906 1.00 0.00 N ATOM 243 CA THR A 20 -4.201 8.325 0.257 1.00 0.00 C ATOM 244 C THR A 20 -3.951 8.676 -1.205 1.00 0.00 C ATOM 245 O THR A 20 -3.112 9.522 -1.515 1.00 0.00 O ATOM 246 CB THR A 20 -4.798 9.551 0.973 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.370 9.157 2.225 1.00 0.00 O ATOM 248 CG2 THR A 20 -5.860 10.217 0.112 1.00 0.00 C ATOM 0 H THR A 20 -2.348 8.625 1.190 1.00 0.00 H new ATOM 0 HA THR A 20 -4.911 7.500 0.313 1.00 0.00 H new ATOM 0 HB THR A 20 -3.995 10.267 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.864 8.402 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.267 11.080 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.415 10.543 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.661 9.506 -0.093 1.00 0.00 H new ATOM 256 N ILE A 21 -4.684 8.022 -2.100 1.00 0.00 N ATOM 257 CA ILE A 21 -4.542 8.268 -3.529 1.00 0.00 C ATOM 258 C ILE A 21 -5.829 8.834 -4.120 1.00 0.00 C ATOM 259 O ILE A 21 -6.898 8.235 -3.995 1.00 0.00 O ATOM 260 CB ILE A 21 -4.165 6.982 -4.287 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.815 6.453 -3.797 1.00 0.00 C ATOM 262 CG2 ILE A 21 -4.126 7.242 -5.785 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.454 5.099 -4.367 1.00 0.00 C ATOM 0 H ILE A 21 -5.382 7.318 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.740 8.997 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.924 6.225 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.036 7.169 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.833 6.387 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.858 6.323 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.107 7.578 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.385 8.012 -6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.485 4.786 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.213 4.370 -4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.404 5.164 -5.454 1.00 0.00 H new ATOM 275 N ARG A 22 -5.719 9.990 -4.767 1.00 0.00 N ATOM 276 CA ARG A 22 -6.874 10.636 -5.378 1.00 0.00 C ATOM 277 C ARG A 22 -6.741 10.662 -6.898 1.00 0.00 C ATOM 278 O ARG A 22 -5.637 10.770 -7.432 1.00 0.00 O ATOM 279 CB ARG A 22 -7.030 12.061 -4.844 1.00 0.00 C ATOM 280 CG ARG A 22 -5.787 12.918 -5.022 1.00 0.00 C ATOM 281 CD ARG A 22 -4.853 12.799 -3.828 1.00 0.00 C ATOM 282 NE ARG A 22 -5.277 13.645 -2.716 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.452 14.088 -1.773 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.166 13.768 -1.809 1.00 0.00 N ATOM 285 NH2 ARG A 22 -4.913 14.854 -0.793 1.00 0.00 N ATOM 0 H ARG A 22 -4.842 10.498 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.762 10.059 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.867 12.540 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.282 12.017 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.262 12.615 -5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.078 13.960 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.815 11.760 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.843 13.075 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.260 13.911 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.808 13.180 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.535 14.109 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.902 15.104 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.279 15.193 -0.070 1.00 0.00 H new ATOM 299 N ARG A 23 -7.873 10.564 -7.588 1.00 0.00 N ATOM 300 CA ARG A 23 -7.882 10.574 -9.045 1.00 0.00 C ATOM 301 C ARG A 23 -7.304 11.880 -9.583 1.00 0.00 C ATOM 302 O ARG A 23 -7.980 12.907 -9.608 1.00 0.00 O ATOM 303 CB ARG A 23 -9.307 10.382 -9.569 1.00 0.00 C ATOM 304 CG ARG A 23 -9.367 9.806 -10.974 1.00 0.00 C ATOM 305 CD ARG A 23 -10.698 9.121 -11.239 1.00 0.00 C ATOM 306 NE ARG A 23 -10.718 8.447 -12.535 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.933 9.073 -13.686 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.144 10.382 -13.703 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.936 8.391 -14.824 1.00 0.00 N ATOM 0 H ARG A 23 -8.795 10.477 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.259 9.750 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.848 9.722 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.822 11.343 -9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.216 10.603 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.555 9.091 -11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.896 8.395 -10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.499 9.859 -11.202 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.558 7.440 -12.557 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.141 10.910 -12.831 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.309 10.861 -14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.773 7.384 -14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.101 8.874 -15.707 1.00 0.00 H new ATOM 323 N GLY A 24 -6.046 11.831 -10.013 1.00 0.00 N ATOM 324 CA GLY A 24 -5.397 13.016 -10.544 1.00 0.00 C ATOM 325 C GLY A 24 -6.025 13.489 -11.840 1.00 0.00 C ATOM 326 O GLY A 24 -7.244 13.634 -11.932 1.00 0.00 O ATOM 0 H GLY A 24 -5.465 10.992 -10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.448 13.816 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.341 12.804 -10.712 1.00 0.00 H new ATOM 330 N LYS A 25 -5.191 13.733 -12.845 1.00 0.00 N ATOM 331 CA LYS A 25 -5.670 14.194 -14.143 1.00 0.00 C ATOM 332 C LYS A 25 -6.212 13.031 -14.967 1.00 0.00 C ATOM 333 O LYS A 25 -7.207 13.172 -15.678 1.00 0.00 O ATOM 334 CB LYS A 25 -4.543 14.893 -14.907 1.00 0.00 C ATOM 335 CG LYS A 25 -3.349 13.995 -15.185 1.00 0.00 C ATOM 336 CD LYS A 25 -2.390 14.634 -16.175 1.00 0.00 C ATOM 337 CE LYS A 25 -1.159 13.769 -16.396 1.00 0.00 C ATOM 338 NZ LYS A 25 -0.092 14.056 -15.398 1.00 0.00 N ATOM 0 H LYS A 25 -4.179 13.619 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.479 14.904 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.934 15.267 -15.853 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.210 15.759 -14.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.825 13.786 -14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.695 13.039 -15.578 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.899 14.793 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.086 15.614 -15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.439 12.717 -16.336 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.772 13.939 -17.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.730 13.446 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.194 15.053 -15.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.453 13.870 -14.441 1.00 0.00 H new ATOM 352 N ASP A 26 -5.553 11.882 -14.865 1.00 0.00 N ATOM 353 CA ASP A 26 -5.971 10.693 -15.599 1.00 0.00 C ATOM 354 C ASP A 26 -5.569 9.425 -14.853 1.00 0.00 C ATOM 355 O ASP A 26 -4.385 9.114 -14.729 1.00 0.00 O ATOM 356 CB ASP A 26 -5.357 10.691 -17.000 1.00 0.00 C ATOM 357 CG ASP A 26 -5.533 9.362 -17.708 1.00 0.00 C ATOM 358 OD1 ASP A 26 -4.786 8.415 -17.385 1.00 0.00 O ATOM 359 OD2 ASP A 26 -6.418 9.269 -18.585 1.00 0.00 O ATOM 0 H ASP A 26 -4.727 11.749 -14.281 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.057 10.713 -15.686 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.816 11.480 -17.596 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.294 10.923 -16.928 1.00 0.00 H new ATOM 364 N GLY A 27 -6.564 8.696 -14.357 1.00 0.00 N ATOM 365 CA GLY A 27 -6.294 7.470 -13.628 1.00 0.00 C ATOM 366 C GLY A 27 -5.622 7.725 -12.293 1.00 0.00 C ATOM 367 O GLY A 27 -5.310 8.868 -11.956 1.00 0.00 O ATOM 0 H GLY A 27 -7.552 8.932 -14.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.229 6.935 -13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.659 6.823 -14.233 1.00 0.00 H new ATOM 371 N PHE A 28 -5.399 6.660 -11.532 1.00 0.00 N ATOM 372 CA PHE A 28 -4.762 6.774 -10.225 1.00 0.00 C ATOM 373 C PHE A 28 -3.300 7.187 -10.367 1.00 0.00 C ATOM 374 O PHE A 28 -2.889 8.236 -9.872 1.00 0.00 O ATOM 375 CB PHE A 28 -4.857 5.447 -9.470 1.00 0.00 C ATOM 376 CG PHE A 28 -6.184 5.232 -8.800 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.770 6.243 -8.054 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.846 4.021 -8.916 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.991 6.048 -7.436 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.068 3.820 -8.300 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.641 4.835 -7.560 1.00 0.00 C ATOM 0 H PHE A 28 -5.650 5.708 -11.797 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.286 7.544 -9.659 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.674 4.628 -10.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.069 5.409 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.267 7.194 -7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.403 3.224 -9.494 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.437 6.843 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.573 2.870 -8.398 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.596 4.681 -7.079 1.00 0.00 H new ATOM 391 N GLY A 29 -2.518 6.353 -11.047 1.00 0.00 N ATOM 392 CA GLY A 29 -1.111 6.648 -11.242 1.00 0.00 C ATOM 393 C GLY A 29 -0.216 5.494 -10.837 1.00 0.00 C ATOM 394 O GLY A 29 0.769 5.195 -11.513 1.00 0.00 O ATOM 0 H GLY A 29 -2.834 5.479 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.935 6.890 -12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.844 7.532 -10.662 1.00 0.00 H new ATOM 398 N PHE A 30 -0.556 4.844 -9.729 1.00 0.00 N ATOM 399 CA PHE A 30 0.227 3.718 -9.232 1.00 0.00 C ATOM 400 C PHE A 30 -0.298 2.401 -9.797 1.00 0.00 C ATOM 401 O PHE A 30 -1.471 2.287 -10.152 1.00 0.00 O ATOM 402 CB PHE A 30 0.192 3.680 -7.703 1.00 0.00 C ATOM 403 CG PHE A 30 -1.046 3.037 -7.147 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.269 3.684 -7.215 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.987 1.784 -6.557 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.410 3.094 -6.703 1.00 0.00 C ATOM 407 CE2 PHE A 30 -2.125 1.189 -6.045 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.338 1.845 -6.119 1.00 0.00 C ATOM 0 H PHE A 30 -1.368 5.077 -9.158 1.00 0.00 H new ATOM 0 HA PHE A 30 1.258 3.850 -9.561 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.066 3.139 -7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.266 4.698 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.332 4.660 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.041 1.267 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.357 3.610 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.065 0.212 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.229 1.382 -5.721 1.00 0.00 H new ATOM 418 N THR A 31 0.581 1.407 -9.877 1.00 0.00 N ATOM 419 CA THR A 31 0.210 0.098 -10.399 1.00 0.00 C ATOM 420 C THR A 31 0.538 -1.006 -9.401 1.00 0.00 C ATOM 421 O THR A 31 1.588 -0.983 -8.759 1.00 0.00 O ATOM 422 CB THR A 31 0.925 -0.200 -11.731 1.00 0.00 C ATOM 423 OG1 THR A 31 0.853 0.942 -12.592 1.00 0.00 O ATOM 424 CG2 THR A 31 0.303 -1.403 -12.422 1.00 0.00 C ATOM 0 H THR A 31 1.556 1.484 -9.587 1.00 0.00 H new ATOM 0 HA THR A 31 -0.866 0.121 -10.570 1.00 0.00 H new ATOM 0 HB THR A 31 1.969 -0.426 -11.515 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.311 0.745 -13.436 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.825 -1.594 -13.360 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.387 -2.277 -11.776 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.749 -1.202 -12.626 1.00 0.00 H new ATOM 432 N ILE A 32 -0.366 -1.972 -9.276 1.00 0.00 N ATOM 433 CA ILE A 32 -0.170 -3.086 -8.357 1.00 0.00 C ATOM 434 C ILE A 32 -0.717 -4.384 -8.941 1.00 0.00 C ATOM 435 O ILE A 32 -1.864 -4.441 -9.388 1.00 0.00 O ATOM 436 CB ILE A 32 -0.848 -2.822 -6.999 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.304 -2.399 -7.206 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.086 -1.757 -6.225 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.195 -2.702 -6.022 1.00 0.00 C ATOM 0 H ILE A 32 -1.241 -2.005 -9.799 1.00 0.00 H new ATOM 0 HA ILE A 32 0.905 -3.183 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.836 -3.744 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.337 -1.329 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.699 -2.905 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.577 -1.581 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.936 -2.094 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.070 -0.831 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.212 -2.375 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.192 -3.775 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.824 -2.174 -5.143 1.00 0.00 H new ATOM 451 N CYS A 33 0.109 -5.425 -8.933 1.00 0.00 N ATOM 452 CA CYS A 33 -0.292 -6.723 -9.462 1.00 0.00 C ATOM 453 C CYS A 33 0.473 -7.850 -8.775 1.00 0.00 C ATOM 454 O CYS A 33 1.704 -7.881 -8.798 1.00 0.00 O ATOM 455 CB CYS A 33 -0.057 -6.777 -10.972 1.00 0.00 C ATOM 456 SG CYS A 33 -0.415 -8.385 -11.718 1.00 0.00 S ATOM 0 H CYS A 33 1.060 -5.395 -8.566 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.355 -6.856 -9.263 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.676 -6.020 -11.453 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.981 -6.517 -11.177 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.188 -8.330 -12.997 1.00 0.00 H new ATOM 462 N CYS A 34 -0.263 -8.772 -8.165 1.00 0.00 N ATOM 463 CA CYS A 34 0.346 -9.899 -7.469 1.00 0.00 C ATOM 464 C CYS A 34 -0.721 -10.837 -6.914 1.00 0.00 C ATOM 465 O CYS A 34 -1.914 -10.537 -6.967 1.00 0.00 O ATOM 466 CB CYS A 34 1.243 -9.401 -6.335 1.00 0.00 C ATOM 467 SG CYS A 34 2.646 -10.483 -5.974 1.00 0.00 S ATOM 0 H CYS A 34 -1.283 -8.761 -8.138 1.00 0.00 H new ATOM 0 HA CYS A 34 0.952 -10.452 -8.187 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.619 -8.410 -6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.642 -9.290 -5.433 1.00 0.00 H new ATOM 0 HG CYS A 34 2.823 -10.550 -4.688 1.00 0.00 H new ATOM 473 N ASP A 35 -0.285 -11.975 -6.386 1.00 0.00 N ATOM 474 CA ASP A 35 -1.203 -12.958 -5.822 1.00 0.00 C ATOM 475 C ASP A 35 -1.090 -12.997 -4.301 1.00 0.00 C ATOM 476 O ASP A 35 0.010 -13.056 -3.752 1.00 0.00 O ATOM 477 CB ASP A 35 -0.919 -14.344 -6.403 1.00 0.00 C ATOM 478 CG ASP A 35 0.553 -14.559 -6.694 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.061 -13.954 -7.660 1.00 0.00 O ATOM 480 OD2 ASP A 35 1.197 -15.335 -5.956 1.00 0.00 O ATOM 0 H ASP A 35 0.699 -12.240 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.219 -12.663 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.263 -15.106 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.491 -14.474 -7.322 1.00 0.00 H new ATOM 485 N SER A 36 -2.235 -12.963 -3.627 1.00 0.00 N ATOM 486 CA SER A 36 -2.264 -12.990 -2.169 1.00 0.00 C ATOM 487 C SER A 36 -1.090 -13.792 -1.616 1.00 0.00 C ATOM 488 O SER A 36 -0.936 -14.984 -1.888 1.00 0.00 O ATOM 489 CB SER A 36 -3.583 -13.589 -1.675 1.00 0.00 C ATOM 490 OG SER A 36 -3.950 -14.720 -2.447 1.00 0.00 O ATOM 0 H SER A 36 -3.154 -12.917 -4.067 1.00 0.00 H new ATOM 0 HA SER A 36 -2.181 -11.964 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.486 -13.875 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.370 -12.837 -1.729 1.00 0.00 H new ATOM 0 HG SER A 36 -3.165 -15.289 -2.587 1.00 0.00 H new ATOM 496 N PRO A 37 -0.240 -13.125 -0.822 1.00 0.00 N ATOM 497 CA PRO A 37 -0.413 -11.707 -0.492 1.00 0.00 C ATOM 498 C PRO A 37 -0.160 -10.798 -1.691 1.00 0.00 C ATOM 499 O PRO A 37 0.673 -11.099 -2.545 1.00 0.00 O ATOM 500 CB PRO A 37 0.638 -11.465 0.594 1.00 0.00 C ATOM 501 CG PRO A 37 1.682 -12.499 0.348 1.00 0.00 C ATOM 502 CD PRO A 37 0.955 -13.703 -0.184 1.00 0.00 C ATOM 0 HA PRO A 37 -1.432 -11.483 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.053 -10.459 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.208 -11.566 1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.423 -12.143 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.216 -12.740 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.564 -14.257 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.689 -14.397 0.614 1.00 0.00 H new ATOM 510 N VAL A 38 -0.885 -9.685 -1.747 1.00 0.00 N ATOM 511 CA VAL A 38 -0.737 -8.732 -2.840 1.00 0.00 C ATOM 512 C VAL A 38 0.490 -7.851 -2.639 1.00 0.00 C ATOM 513 O VAL A 38 0.916 -7.610 -1.509 1.00 0.00 O ATOM 514 CB VAL A 38 -1.983 -7.835 -2.974 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.757 -6.763 -4.029 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.208 -8.673 -3.307 1.00 0.00 C ATOM 0 H VAL A 38 -1.580 -9.422 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.616 -9.314 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.159 -7.340 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.647 -6.139 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.906 -6.145 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.556 -7.235 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.079 -8.024 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.046 -9.197 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.379 -9.400 -2.513 1.00 0.00 H new ATOM 526 N ARG A 39 1.055 -7.372 -3.743 1.00 0.00 N ATOM 527 CA ARG A 39 2.235 -6.518 -3.688 1.00 0.00 C ATOM 528 C ARG A 39 2.135 -5.386 -4.707 1.00 0.00 C ATOM 529 O ARG A 39 1.175 -5.311 -5.475 1.00 0.00 O ATOM 530 CB ARG A 39 3.499 -7.340 -3.947 1.00 0.00 C ATOM 531 CG ARG A 39 3.731 -8.439 -2.923 1.00 0.00 C ATOM 532 CD ARG A 39 4.943 -9.286 -3.279 1.00 0.00 C ATOM 533 NE ARG A 39 4.899 -10.599 -2.642 1.00 0.00 N ATOM 534 CZ ARG A 39 5.334 -10.832 -1.409 1.00 0.00 C ATOM 535 NH1 ARG A 39 5.842 -9.845 -0.684 1.00 0.00 N ATOM 536 NH2 ARG A 39 5.261 -12.055 -0.898 1.00 0.00 N ATOM 0 H ARG A 39 0.714 -7.561 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 39 2.291 -6.083 -2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.435 -7.787 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.361 -6.673 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.873 -7.995 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.847 -9.074 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.994 -9.409 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.851 -8.766 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 39 4.513 -11.380 -3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.899 -8.904 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.175 -10.027 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.871 -12.817 -1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.595 -12.233 0.049 1.00 0.00 H new ATOM 550 N VAL A 40 3.131 -4.506 -4.707 1.00 0.00 N ATOM 551 CA VAL A 40 3.155 -3.378 -5.630 1.00 0.00 C ATOM 552 C VAL A 40 4.073 -3.658 -6.815 1.00 0.00 C ATOM 553 O VAL A 40 5.122 -4.284 -6.665 1.00 0.00 O ATOM 554 CB VAL A 40 3.619 -2.088 -4.929 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.661 -0.930 -5.914 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.711 -1.766 -3.752 1.00 0.00 C ATOM 0 H VAL A 40 3.932 -4.553 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 40 2.135 -3.240 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 40 4.628 -2.245 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.991 -0.027 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.356 -1.163 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.666 -0.768 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.053 -0.851 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.690 -1.628 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.738 -2.587 -3.036 1.00 0.00 H new ATOM 566 N GLN A 41 3.671 -3.189 -7.992 1.00 0.00 N ATOM 567 CA GLN A 41 4.459 -3.389 -9.203 1.00 0.00 C ATOM 568 C GLN A 41 5.404 -2.215 -9.438 1.00 0.00 C ATOM 569 O GLN A 41 6.608 -2.400 -9.609 1.00 0.00 O ATOM 570 CB GLN A 41 3.538 -3.568 -10.411 1.00 0.00 C ATOM 571 CG GLN A 41 4.283 -3.839 -11.708 1.00 0.00 C ATOM 572 CD GLN A 41 3.419 -4.535 -12.742 1.00 0.00 C ATOM 573 OE1 GLN A 41 3.131 -3.979 -13.803 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.001 -5.758 -12.438 1.00 0.00 N ATOM 0 H GLN A 41 2.805 -2.668 -8.133 1.00 0.00 H new ATOM 0 HA GLN A 41 5.056 -4.291 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.853 -4.393 -10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.931 -2.671 -10.531 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.646 -2.897 -12.118 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.158 -4.454 -11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.264 -6.180 -11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.417 -6.275 -13.095 1.00 0.00 H new ATOM 583 N ALA A 42 4.849 -1.008 -9.444 1.00 0.00 N ATOM 584 CA ALA A 42 5.643 0.196 -9.656 1.00 0.00 C ATOM 585 C ALA A 42 4.851 1.448 -9.293 1.00 0.00 C ATOM 586 O ALA A 42 3.624 1.411 -9.197 1.00 0.00 O ATOM 587 CB ALA A 42 6.115 0.269 -11.101 1.00 0.00 C ATOM 0 H ALA A 42 3.853 -0.838 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 42 6.514 0.147 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.707 1.173 -11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.726 -0.605 -11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.251 0.291 -11.765 1.00 0.00 H new ATOM 593 N VAL A 43 5.560 2.554 -9.092 1.00 0.00 N ATOM 594 CA VAL A 43 4.922 3.817 -8.740 1.00 0.00 C ATOM 595 C VAL A 43 5.221 4.892 -9.778 1.00 0.00 C ATOM 596 O VAL A 43 6.379 5.138 -10.117 1.00 0.00 O ATOM 597 CB VAL A 43 5.384 4.312 -7.356 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.731 5.644 -7.020 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.076 3.273 -6.289 1.00 0.00 C ATOM 0 H VAL A 43 6.576 2.601 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 43 3.848 3.632 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 43 6.463 4.461 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.069 5.978 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.008 6.384 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.648 5.526 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.409 3.639 -5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.002 3.090 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.596 2.344 -6.524 1.00 0.00 H new ATOM 609 N ASP A 44 4.170 5.531 -10.280 1.00 0.00 N ATOM 610 CA ASP A 44 4.320 6.582 -11.280 1.00 0.00 C ATOM 611 C ASP A 44 4.734 7.898 -10.627 1.00 0.00 C ATOM 612 O ASP A 44 4.074 8.380 -9.707 1.00 0.00 O ATOM 613 CB ASP A 44 3.014 6.771 -12.052 1.00 0.00 C ATOM 614 CG ASP A 44 3.170 7.705 -13.235 1.00 0.00 C ATOM 615 OD1 ASP A 44 3.047 8.933 -13.042 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.416 7.210 -14.355 1.00 0.00 O ATOM 0 H ASP A 44 3.205 5.340 -10.011 1.00 0.00 H new ATOM 0 HA ASP A 44 5.103 6.279 -11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.659 5.802 -12.403 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.252 7.165 -11.380 1.00 0.00 H new ATOM 621 N SER A 45 5.831 8.472 -11.110 1.00 0.00 N ATOM 622 CA SER A 45 6.336 9.729 -10.570 1.00 0.00 C ATOM 623 C SER A 45 5.434 10.893 -10.969 1.00 0.00 C ATOM 624 O SER A 45 4.910 10.934 -12.082 1.00 0.00 O ATOM 625 CB SER A 45 7.762 9.983 -11.061 1.00 0.00 C ATOM 626 OG SER A 45 8.248 11.230 -10.595 1.00 0.00 O ATOM 0 H SER A 45 6.387 8.087 -11.874 1.00 0.00 H new ATOM 0 HA SER A 45 6.342 9.652 -9.483 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.417 9.182 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.783 9.965 -12.151 1.00 0.00 H new ATOM 0 HG SER A 45 8.399 11.182 -9.628 1.00 0.00 H new ATOM 632 N GLY A 46 5.256 11.839 -10.051 1.00 0.00 N ATOM 633 CA GLY A 46 4.417 12.991 -10.325 1.00 0.00 C ATOM 634 C GLY A 46 2.963 12.746 -9.974 1.00 0.00 C ATOM 635 O GLY A 46 2.252 13.664 -9.569 1.00 0.00 O ATOM 0 H GLY A 46 5.678 11.828 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.785 13.847 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.494 13.250 -11.381 1.00 0.00 H new ATOM 639 N GLY A 47 2.519 11.502 -10.132 1.00 0.00 N ATOM 640 CA GLY A 47 1.142 11.162 -9.826 1.00 0.00 C ATOM 641 C GLY A 47 0.794 11.406 -8.371 1.00 0.00 C ATOM 642 O GLY A 47 1.644 11.776 -7.561 1.00 0.00 O ATOM 0 H GLY A 47 3.088 10.725 -10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.477 11.749 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.968 10.113 -10.067 1.00 0.00 H new ATOM 646 N PRO A 48 -0.484 11.198 -8.021 1.00 0.00 N ATOM 647 CA PRO A 48 -0.972 11.392 -6.652 1.00 0.00 C ATOM 648 C PRO A 48 -0.434 10.339 -5.690 1.00 0.00 C ATOM 649 O PRO A 48 -0.371 10.563 -4.481 1.00 0.00 O ATOM 650 CB PRO A 48 -2.490 11.261 -6.795 1.00 0.00 C ATOM 651 CG PRO A 48 -2.685 10.417 -8.007 1.00 0.00 C ATOM 652 CD PRO A 48 -1.551 10.755 -8.934 1.00 0.00 C ATOM 0 HA PRO A 48 -0.650 12.347 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.932 10.796 -5.914 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.962 12.236 -6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.677 9.358 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.647 10.624 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.243 9.891 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.828 11.539 -9.639 1.00 0.00 H new ATOM 660 N ALA A 49 -0.047 9.190 -6.233 1.00 0.00 N ATOM 661 CA ALA A 49 0.488 8.103 -5.423 1.00 0.00 C ATOM 662 C ALA A 49 1.887 8.434 -4.915 1.00 0.00 C ATOM 663 O ALA A 49 2.172 8.303 -3.725 1.00 0.00 O ATOM 664 CB ALA A 49 0.507 6.808 -6.222 1.00 0.00 C ATOM 0 H ALA A 49 -0.094 8.988 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.163 7.974 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.909 6.005 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.508 6.556 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.133 6.935 -7.105 1.00 0.00 H new ATOM 670 N GLU A 50 2.756 8.861 -5.825 1.00 0.00 N ATOM 671 CA GLU A 50 4.127 9.209 -5.468 1.00 0.00 C ATOM 672 C GLU A 50 4.152 10.353 -4.458 1.00 0.00 C ATOM 673 O GLU A 50 4.623 10.191 -3.332 1.00 0.00 O ATOM 674 CB GLU A 50 4.920 9.599 -6.717 1.00 0.00 C ATOM 675 CG GLU A 50 6.421 9.422 -6.564 1.00 0.00 C ATOM 676 CD GLU A 50 7.213 10.408 -7.401 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.790 11.579 -7.498 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.255 10.008 -7.960 1.00 0.00 O ATOM 0 H GLU A 50 2.536 8.974 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 50 4.590 8.334 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.576 8.998 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.708 10.640 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.692 9.542 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.694 8.406 -6.850 1.00 0.00 H new ATOM 685 N ARG A 51 3.643 11.510 -4.871 1.00 0.00 N ATOM 686 CA ARG A 51 3.609 12.682 -4.004 1.00 0.00 C ATOM 687 C ARG A 51 3.072 12.320 -2.622 1.00 0.00 C ATOM 688 O ARG A 51 3.504 12.877 -1.613 1.00 0.00 O ATOM 689 CB ARG A 51 2.744 13.778 -4.628 1.00 0.00 C ATOM 690 CG ARG A 51 1.282 13.390 -4.777 1.00 0.00 C ATOM 691 CD ARG A 51 0.392 14.615 -4.919 1.00 0.00 C ATOM 692 NE ARG A 51 0.654 15.342 -6.158 1.00 0.00 N ATOM 693 CZ ARG A 51 -0.236 16.130 -6.751 1.00 0.00 C ATOM 694 NH1 ARG A 51 -1.440 16.291 -6.220 1.00 0.00 N ATOM 695 NH2 ARG A 51 0.078 16.758 -7.877 1.00 0.00 N ATOM 0 H ARG A 51 3.249 11.660 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 51 4.628 13.052 -3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.812 14.676 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.146 14.031 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.162 12.749 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.968 12.810 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.654 14.308 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.551 15.279 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 51 1.571 15.239 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.684 15.809 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.122 16.896 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.003 16.636 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.606 17.363 -8.331 1.00 0.00 H new ATOM 709 N ALA A 52 2.129 11.385 -2.585 1.00 0.00 N ATOM 710 CA ALA A 52 1.535 10.949 -1.328 1.00 0.00 C ATOM 711 C ALA A 52 2.559 10.229 -0.457 1.00 0.00 C ATOM 712 O ALA A 52 2.630 10.454 0.750 1.00 0.00 O ATOM 713 CB ALA A 52 0.339 10.047 -1.594 1.00 0.00 C ATOM 0 H ALA A 52 1.760 10.915 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 52 1.196 11.834 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.095 9.729 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.408 10.594 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.662 9.171 -2.157 1.00 0.00 H new ATOM 719 N GLY A 53 3.352 9.361 -1.079 1.00 0.00 N ATOM 720 CA GLY A 53 4.361 8.620 -0.345 1.00 0.00 C ATOM 721 C GLY A 53 4.226 7.121 -0.524 1.00 0.00 C ATOM 722 O GLY A 53 4.334 6.361 0.439 1.00 0.00 O ATOM 0 H GLY A 53 3.313 9.158 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.351 8.934 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.287 8.864 0.715 1.00 0.00 H new ATOM 726 N LEU A 54 3.986 6.694 -1.759 1.00 0.00 N ATOM 727 CA LEU A 54 3.833 5.275 -2.061 1.00 0.00 C ATOM 728 C LEU A 54 5.169 4.656 -2.459 1.00 0.00 C ATOM 729 O LEU A 54 5.926 5.238 -3.236 1.00 0.00 O ATOM 730 CB LEU A 54 2.813 5.080 -3.183 1.00 0.00 C ATOM 731 CG LEU A 54 1.969 3.806 -3.109 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.745 3.924 -4.004 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.800 2.592 -3.498 1.00 0.00 C ATOM 0 H LEU A 54 3.893 7.310 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 54 3.475 4.774 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.140 5.938 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.344 5.085 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 54 1.631 3.676 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.157 3.009 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.138 4.769 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.062 4.079 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.183 1.695 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.167 2.714 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.645 2.496 -2.817 1.00 0.00 H new ATOM 745 N GLN A 55 5.451 3.473 -1.923 1.00 0.00 N ATOM 746 CA GLN A 55 6.695 2.775 -2.224 1.00 0.00 C ATOM 747 C GLN A 55 6.454 1.630 -3.203 1.00 0.00 C ATOM 748 O GLN A 55 5.315 1.221 -3.423 1.00 0.00 O ATOM 749 CB GLN A 55 7.328 2.239 -0.939 1.00 0.00 C ATOM 750 CG GLN A 55 8.839 2.089 -1.021 1.00 0.00 C ATOM 751 CD GLN A 55 9.450 1.613 0.282 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.234 2.324 0.910 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.092 0.402 0.695 1.00 0.00 N ATOM 0 H GLN A 55 4.835 2.978 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 55 7.378 3.487 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.082 2.910 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.887 1.270 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.088 1.383 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.281 3.047 -1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.439 -0.153 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.470 0.027 1.565 1.00 0.00 H new ATOM 762 N GLN A 56 7.534 1.119 -3.785 1.00 0.00 N ATOM 763 CA GLN A 56 7.438 0.022 -4.741 1.00 0.00 C ATOM 764 C GLN A 56 7.879 -1.293 -4.106 1.00 0.00 C ATOM 765 O GLN A 56 8.598 -1.301 -3.106 1.00 0.00 O ATOM 766 CB GLN A 56 8.292 0.317 -5.976 1.00 0.00 C ATOM 767 CG GLN A 56 8.251 -0.786 -7.021 1.00 0.00 C ATOM 768 CD GLN A 56 8.971 -0.405 -8.300 1.00 0.00 C ATOM 769 OE1 GLN A 56 9.424 0.730 -8.456 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.080 -1.353 -9.223 1.00 0.00 N ATOM 0 H GLN A 56 8.484 1.446 -3.612 1.00 0.00 H new ATOM 0 HA GLN A 56 6.395 -0.073 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.952 1.248 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.325 0.473 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.703 -1.688 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.213 -1.026 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.690 -2.280 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.554 -1.155 -10.104 1.00 0.00 H new ATOM 779 N LEU A 57 7.442 -2.402 -4.692 1.00 0.00 N ATOM 780 CA LEU A 57 7.791 -3.724 -4.183 1.00 0.00 C ATOM 781 C LEU A 57 7.325 -3.894 -2.741 1.00 0.00 C ATOM 782 O LEU A 57 7.974 -4.570 -1.943 1.00 0.00 O ATOM 783 CB LEU A 57 9.303 -3.944 -4.271 1.00 0.00 C ATOM 784 CG LEU A 57 9.866 -4.177 -5.673 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.338 -3.799 -5.727 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.671 -5.628 -6.092 1.00 0.00 C ATOM 0 H LEU A 57 6.846 -2.412 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 57 7.285 -4.467 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.802 -3.076 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.562 -4.801 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 57 9.323 -3.541 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.721 -3.972 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.453 -2.746 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.896 -4.408 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.078 -5.776 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.188 -6.282 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.607 -5.866 -6.094 1.00 0.00 H new ATOM 798 N ASP A 58 6.195 -3.276 -2.414 1.00 0.00 N ATOM 799 CA ASP A 58 5.639 -3.361 -1.068 1.00 0.00 C ATOM 800 C ASP A 58 4.432 -4.293 -1.037 1.00 0.00 C ATOM 801 O ASP A 58 3.844 -4.601 -2.074 1.00 0.00 O ATOM 802 CB ASP A 58 5.239 -1.971 -0.571 1.00 0.00 C ATOM 803 CG ASP A 58 4.501 -1.169 -1.625 1.00 0.00 C ATOM 804 OD1 ASP A 58 5.016 -1.063 -2.758 1.00 0.00 O ATOM 805 OD2 ASP A 58 3.410 -0.647 -1.316 1.00 0.00 O ATOM 0 H ASP A 58 5.646 -2.711 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 58 6.406 -3.768 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.608 -2.072 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.132 -1.427 -0.264 1.00 0.00 H new ATOM 810 N THR A 59 4.068 -4.741 0.161 1.00 0.00 N ATOM 811 CA THR A 59 2.933 -5.640 0.328 1.00 0.00 C ATOM 812 C THR A 59 1.721 -4.899 0.878 1.00 0.00 C ATOM 813 O THR A 59 1.849 -4.035 1.746 1.00 0.00 O ATOM 814 CB THR A 59 3.277 -6.810 1.270 1.00 0.00 C ATOM 815 OG1 THR A 59 4.497 -7.432 0.853 1.00 0.00 O ATOM 816 CG2 THR A 59 2.156 -7.839 1.286 1.00 0.00 C ATOM 0 H THR A 59 4.543 -4.496 1.030 1.00 0.00 H new ATOM 0 HA THR A 59 2.695 -6.036 -0.659 1.00 0.00 H new ATOM 0 HB THR A 59 3.399 -6.413 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.710 -8.173 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.421 -8.655 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.235 -7.369 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.007 -8.231 0.280 1.00 0.00 H new ATOM 824 N VAL A 60 0.542 -5.241 0.368 1.00 0.00 N ATOM 825 CA VAL A 60 -0.695 -4.609 0.811 1.00 0.00 C ATOM 826 C VAL A 60 -1.230 -5.271 2.076 1.00 0.00 C ATOM 827 O VAL A 60 -1.384 -6.492 2.133 1.00 0.00 O ATOM 828 CB VAL A 60 -1.778 -4.668 -0.283 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.012 -3.888 0.144 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.233 -4.140 -1.601 1.00 0.00 C ATOM 0 H VAL A 60 0.418 -5.952 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.458 -3.566 1.023 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.068 -5.709 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.766 -3.941 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.414 -4.317 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.742 -2.846 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.011 -4.189 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.914 -3.105 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.382 -4.747 -1.912 1.00 0.00 H new ATOM 840 N LEU A 61 -1.512 -4.459 3.088 1.00 0.00 N ATOM 841 CA LEU A 61 -2.030 -4.965 4.354 1.00 0.00 C ATOM 842 C LEU A 61 -3.554 -4.920 4.376 1.00 0.00 C ATOM 843 O LEU A 61 -4.214 -5.953 4.484 1.00 0.00 O ATOM 844 CB LEU A 61 -1.467 -4.151 5.520 1.00 0.00 C ATOM 845 CG LEU A 61 -0.003 -4.412 5.877 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.427 -3.535 7.042 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.212 -5.882 6.205 1.00 0.00 C ATOM 0 H LEU A 61 -1.391 -3.447 3.057 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.714 -6.003 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.580 -3.092 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.076 -4.349 6.402 1.00 0.00 H new ATOM 0 HG LEU A 61 0.612 -4.160 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.471 -3.735 7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.311 -2.486 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.193 -3.755 7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.259 -6.049 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.414 -6.161 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.055 -6.490 5.341 1.00 0.00 H new ATOM 859 N GLN A 62 -4.107 -3.715 4.269 1.00 0.00 N ATOM 860 CA GLN A 62 -5.554 -3.536 4.275 1.00 0.00 C ATOM 861 C GLN A 62 -5.959 -2.351 3.405 1.00 0.00 C ATOM 862 O GLN A 62 -5.238 -1.356 3.317 1.00 0.00 O ATOM 863 CB GLN A 62 -6.058 -3.330 5.705 1.00 0.00 C ATOM 864 CG GLN A 62 -5.453 -2.117 6.393 1.00 0.00 C ATOM 865 CD GLN A 62 -5.637 -2.148 7.898 1.00 0.00 C ATOM 866 OE1 GLN A 62 -4.720 -1.826 8.654 1.00 0.00 O ATOM 867 NE2 GLN A 62 -6.827 -2.537 8.341 1.00 0.00 N ATOM 0 H GLN A 62 -3.575 -2.850 4.177 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.008 -4.438 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.143 -3.224 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.834 -4.220 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.389 -2.066 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.910 -1.212 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.558 -2.795 7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.010 -2.578 9.344 1.00 0.00 H new ATOM 876 N LEU A 63 -7.116 -2.464 2.762 1.00 0.00 N ATOM 877 CA LEU A 63 -7.618 -1.401 1.898 1.00 0.00 C ATOM 878 C LEU A 63 -9.019 -0.971 2.320 1.00 0.00 C ATOM 879 O LEU A 63 -9.932 -1.791 2.403 1.00 0.00 O ATOM 880 CB LEU A 63 -7.633 -1.867 0.441 1.00 0.00 C ATOM 881 CG LEU A 63 -8.397 -0.977 -0.541 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.684 -0.927 -1.883 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.825 -1.476 -0.712 1.00 0.00 C ATOM 0 H LEU A 63 -7.724 -3.281 2.822 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.951 -0.544 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.602 -1.952 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.064 -2.867 0.405 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.432 0.034 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.242 -0.289 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.681 -0.523 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.617 -1.933 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.354 -0.831 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.810 -2.496 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.334 -1.459 0.252 1.00 0.00 H new ATOM 895 N ASN A 64 -9.181 0.322 2.584 1.00 0.00 N ATOM 896 CA ASN A 64 -10.472 0.861 2.996 1.00 0.00 C ATOM 897 C ASN A 64 -10.931 0.231 4.308 1.00 0.00 C ATOM 898 O ASN A 64 -12.114 -0.054 4.489 1.00 0.00 O ATOM 899 CB ASN A 64 -11.520 0.621 1.908 1.00 0.00 C ATOM 900 CG ASN A 64 -11.588 1.761 0.910 1.00 0.00 C ATOM 901 OD1 ASN A 64 -10.726 1.717 -0.099 1.00 0.00 O flip ATOM 902 ND2 ASN A 64 -12.408 2.670 1.044 1.00 0.00 N flip ATOM 0 H ASN A 64 -8.435 1.015 2.520 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.357 1.934 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.289 -0.305 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.498 0.489 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.052 2.664 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.443 3.429 0.364 1.00 0.00 H new ATOM 909 N GLU A 65 -9.986 0.018 5.218 1.00 0.00 N ATOM 910 CA GLU A 65 -10.294 -0.579 6.513 1.00 0.00 C ATOM 911 C GLU A 65 -10.747 -2.027 6.351 1.00 0.00 C ATOM 912 O GLU A 65 -11.580 -2.517 7.113 1.00 0.00 O ATOM 913 CB GLU A 65 -11.380 0.230 7.226 1.00 0.00 C ATOM 914 CG GLU A 65 -11.062 1.712 7.337 1.00 0.00 C ATOM 915 CD GLU A 65 -10.226 2.039 8.559 1.00 0.00 C ATOM 916 OE1 GLU A 65 -8.984 1.952 8.469 1.00 0.00 O ATOM 917 OE2 GLU A 65 -10.815 2.382 9.606 1.00 0.00 O ATOM 0 H GLU A 65 -9.002 0.249 5.083 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.386 -0.566 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.322 0.108 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.527 -0.177 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.531 2.034 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.993 2.278 7.376 1.00 0.00 H new ATOM 924 N ARG A 66 -10.194 -2.705 5.351 1.00 0.00 N ATOM 925 CA ARG A 66 -10.541 -4.096 5.087 1.00 0.00 C ATOM 926 C ARG A 66 -9.287 -4.942 4.887 1.00 0.00 C ATOM 927 O ARG A 66 -8.305 -4.507 4.284 1.00 0.00 O ATOM 928 CB ARG A 66 -11.437 -4.194 3.851 1.00 0.00 C ATOM 929 CG ARG A 66 -12.866 -3.736 4.097 1.00 0.00 C ATOM 930 CD ARG A 66 -13.674 -3.718 2.809 1.00 0.00 C ATOM 931 NE ARG A 66 -13.535 -2.453 2.092 1.00 0.00 N ATOM 932 CZ ARG A 66 -14.437 -1.992 1.233 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.537 -2.688 0.985 1.00 0.00 N ATOM 934 NH2 ARG A 66 -14.238 -0.832 0.620 1.00 0.00 N ATOM 0 H ARG A 66 -9.504 -2.314 4.710 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.082 -4.479 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.005 -3.594 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.450 -5.227 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.343 -4.400 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.859 -2.739 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.349 -4.536 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.725 -3.891 3.038 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.699 -1.893 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.693 -3.580 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.228 -2.332 0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.392 -0.294 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.931 -0.478 -0.040 1.00 0.00 H new ATOM 948 N PRO A 67 -9.318 -6.179 5.405 1.00 0.00 N ATOM 949 CA PRO A 67 -8.192 -7.111 5.297 1.00 0.00 C ATOM 950 C PRO A 67 -7.986 -7.608 3.870 1.00 0.00 C ATOM 951 O PRO A 67 -8.866 -8.244 3.290 1.00 0.00 O ATOM 952 CB PRO A 67 -8.600 -8.268 6.212 1.00 0.00 C ATOM 953 CG PRO A 67 -10.088 -8.217 6.247 1.00 0.00 C ATOM 954 CD PRO A 67 -10.455 -6.763 6.136 1.00 0.00 C ATOM 0 HA PRO A 67 -7.248 -6.643 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.246 -9.223 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.176 -8.152 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.518 -8.792 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.472 -8.647 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.393 -6.625 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.581 -6.304 7.117 1.00 0.00 H new ATOM 962 N VAL A 68 -6.818 -7.314 3.308 1.00 0.00 N ATOM 963 CA VAL A 68 -6.496 -7.732 1.949 1.00 0.00 C ATOM 964 C VAL A 68 -5.154 -8.453 1.899 1.00 0.00 C ATOM 965 O VAL A 68 -4.544 -8.577 0.837 1.00 0.00 O ATOM 966 CB VAL A 68 -6.457 -6.530 0.986 1.00 0.00 C ATOM 967 CG1 VAL A 68 -7.801 -5.818 0.966 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.342 -5.572 1.376 1.00 0.00 C ATOM 0 H VAL A 68 -6.079 -6.788 3.773 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.284 -8.415 1.633 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.253 -6.898 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.754 -4.972 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.575 -6.511 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.038 -5.460 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.329 -4.729 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.512 -5.208 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.385 -6.091 1.333 1.00 0.00 H new ATOM 978 N GLU A 69 -4.699 -8.926 3.055 1.00 0.00 N ATOM 979 CA GLU A 69 -3.428 -9.635 3.142 1.00 0.00 C ATOM 980 C GLU A 69 -3.479 -10.943 2.358 1.00 0.00 C ATOM 981 O GLU A 69 -2.450 -11.457 1.919 1.00 0.00 O ATOM 982 CB GLU A 69 -3.076 -9.918 4.604 1.00 0.00 C ATOM 983 CG GLU A 69 -2.251 -8.820 5.255 1.00 0.00 C ATOM 984 CD GLU A 69 -0.830 -8.768 4.728 1.00 0.00 C ATOM 985 OE1 GLU A 69 -0.052 -9.697 5.030 1.00 0.00 O ATOM 986 OE2 GLU A 69 -0.496 -7.799 4.015 1.00 0.00 O ATOM 0 H GLU A 69 -5.191 -8.831 3.943 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.657 -9.000 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.997 -10.053 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.525 -10.857 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.734 -7.858 5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.229 -8.978 6.333 1.00 0.00 H new ATOM 993 N HIS A 70 -4.684 -11.476 2.186 1.00 0.00 N ATOM 994 CA HIS A 70 -4.871 -12.724 1.454 1.00 0.00 C ATOM 995 C HIS A 70 -5.765 -12.512 0.237 1.00 0.00 C ATOM 996 O HIS A 70 -6.518 -13.404 -0.155 1.00 0.00 O ATOM 997 CB HIS A 70 -5.477 -13.790 2.368 1.00 0.00 C ATOM 998 CG HIS A 70 -4.758 -13.940 3.673 1.00 0.00 C ATOM 999 ND1 HIS A 70 -5.338 -13.648 4.890 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -3.500 -14.355 3.948 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -4.467 -13.876 5.856 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -3.343 -14.307 5.311 1.00 0.00 N ATOM 0 H HIS A 70 -5.546 -11.064 2.543 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.894 -13.064 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.519 -13.539 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.472 -14.748 1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.757 -14.666 3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.643 -13.734 6.912 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.497 -14.562 5.820 1.00 0.00 H new ATOM 1011 N TRP A 71 -5.677 -11.327 -0.356 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.479 -10.998 -1.529 1.00 0.00 C ATOM 1013 C TRP A 71 -5.636 -11.051 -2.798 1.00 0.00 C ATOM 1014 O TRP A 71 -4.415 -10.901 -2.751 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.102 -9.610 -1.373 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.198 -9.561 -0.352 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.340 -10.372 0.737 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.307 -8.656 -0.328 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -9.470 -10.025 1.438 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.080 -8.974 0.805 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.720 -7.605 -1.152 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.242 -8.281 1.132 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.874 -6.918 -0.826 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.624 -7.257 0.308 1.00 0.00 C ATOM 0 H TRP A 71 -5.059 -10.578 -0.044 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.275 -11.738 -1.613 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.324 -8.900 -1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.498 -9.287 -2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.664 -11.169 1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.801 -10.476 2.291 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.148 -7.335 -2.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.822 -8.542 2.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.204 -6.105 -1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.521 -6.700 0.536 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.294 -11.266 -3.932 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.605 -11.338 -5.215 1.00 0.00 C ATOM 1037 C LYS A 72 -5.893 -10.099 -6.057 1.00 0.00 C ATOM 1038 O LYS A 72 -6.980 -9.524 -5.981 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.031 -12.595 -5.976 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.615 -13.888 -5.296 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.590 -15.050 -6.275 1.00 0.00 C ATOM 1042 CE LYS A 72 -6.996 -15.485 -6.659 1.00 0.00 C ATOM 1043 NZ LYS A 72 -6.998 -16.800 -7.358 1.00 0.00 N ATOM 0 H LYS A 72 -7.304 -11.394 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.533 -11.384 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.115 -12.589 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.601 -12.566 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.628 -13.765 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.306 -14.111 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.040 -14.761 -7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.057 -15.890 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.614 -15.549 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.446 -14.730 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.974 -17.061 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.429 -16.733 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.592 -17.526 -6.734 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.915 -9.695 -6.860 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.065 -8.524 -7.717 1.00 0.00 C ATOM 1059 C CYS A 73 -6.496 -8.406 -8.232 1.00 0.00 C ATOM 1060 O CYS A 73 -6.999 -7.305 -8.452 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.091 -8.601 -8.894 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.481 -9.898 -10.092 1.00 0.00 S ATOM 0 H CYS A 73 -4.011 -10.160 -6.936 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.838 -7.638 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.081 -7.639 -9.407 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.085 -8.768 -8.509 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.603 -9.882 -11.050 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.146 -9.550 -8.424 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.519 -9.575 -8.914 1.00 0.00 C ATOM 1070 C VAL A 74 -9.479 -8.982 -7.889 1.00 0.00 C ATOM 1071 O VAL A 74 -9.948 -7.855 -8.044 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.968 -11.010 -9.251 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -10.413 -11.019 -9.725 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.051 -11.622 -10.299 1.00 0.00 C ATOM 0 H VAL A 74 -6.744 -10.471 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.543 -8.972 -9.821 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.903 -11.615 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.713 -12.041 -9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.056 -10.623 -8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.507 -10.400 -10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.382 -12.635 -10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.082 -11.019 -11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.030 -11.651 -9.917 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.767 -9.748 -6.842 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.672 -9.297 -5.791 1.00 0.00 C ATOM 1086 C GLU A 75 -10.294 -7.899 -5.311 1.00 0.00 C ATOM 1087 O GLU A 75 -11.156 -7.037 -5.132 1.00 0.00 O ATOM 1088 CB GLU A 75 -10.651 -10.275 -4.615 1.00 0.00 C ATOM 1089 CG GLU A 75 -9.424 -10.137 -3.730 1.00 0.00 C ATOM 1090 CD GLU A 75 -9.244 -11.316 -2.794 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -8.640 -12.324 -3.219 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -9.707 -11.233 -1.637 1.00 0.00 O ATOM 0 H GLU A 75 -9.387 -10.684 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.679 -9.260 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.544 -10.121 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.698 -11.294 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.538 -10.037 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.505 -9.222 -3.144 1.00 0.00 H new ATOM 1099 N LEU A 76 -9.000 -7.681 -5.103 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.507 -6.388 -4.643 1.00 0.00 C ATOM 1101 C LEU A 76 -8.797 -5.297 -5.669 1.00 0.00 C ATOM 1102 O LEU A 76 -9.599 -4.397 -5.422 1.00 0.00 O ATOM 1103 CB LEU A 76 -7.003 -6.461 -4.371 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.372 -5.216 -3.747 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.308 -4.603 -2.716 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.030 -5.557 -3.116 1.00 0.00 C ATOM 0 H LEU A 76 -8.274 -8.383 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.026 -6.138 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.814 -7.309 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.494 -6.669 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.204 -4.483 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.842 -3.718 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.245 -4.321 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.509 -5.330 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.596 -4.659 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.174 -6.308 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.358 -5.949 -3.880 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.141 -5.386 -6.821 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.332 -4.410 -7.886 1.00 0.00 C ATOM 1120 C ALA A 77 -9.776 -3.922 -7.932 1.00 0.00 C ATOM 1121 O ALA A 77 -10.036 -2.741 -8.160 1.00 0.00 O ATOM 1122 CB ALA A 77 -7.932 -5.006 -9.227 1.00 0.00 C ATOM 0 H ALA A 77 -7.472 -6.124 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.693 -3.552 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.080 -4.265 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.882 -5.298 -9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.547 -5.882 -9.434 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.713 -4.840 -7.714 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.132 -4.504 -7.730 1.00 0.00 C ATOM 1130 C HIS A 78 -12.454 -3.456 -6.669 1.00 0.00 C ATOM 1131 O HIS A 78 -13.129 -2.465 -6.947 1.00 0.00 O ATOM 1132 CB HIS A 78 -12.978 -5.756 -7.501 1.00 0.00 C ATOM 1133 CG HIS A 78 -13.000 -6.688 -8.673 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -12.762 -8.018 -8.752 1.00 0.00 N flip ATOM 1135 CD2 HIS A 78 -13.292 -6.275 -9.956 1.00 0.00 C flip ATOM 1136 CE1 HIS A 78 -12.914 -8.382 -10.067 1.00 0.00 C flip ATOM 1137 NE2 HIS A 78 -13.234 -7.312 -10.773 1.00 0.00 N flip ATOM 0 H HIS A 78 -10.515 -5.822 -7.524 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.370 -4.089 -8.709 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.595 -6.289 -6.631 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -13.999 -5.456 -7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -13.531 -5.263 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -12.792 -9.380 -10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -13.407 -7.290 -11.778 1.00 0.00 H new ATOM 1146 N GLU A 79 -11.967 -3.684 -5.453 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.206 -2.760 -4.350 1.00 0.00 C ATOM 1148 C GLU A 79 -11.575 -1.399 -4.634 1.00 0.00 C ATOM 1149 O GLU A 79 -12.204 -0.359 -4.438 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.645 -3.331 -3.046 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.582 -4.310 -2.359 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.028 -3.857 -2.394 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.375 -2.919 -1.646 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.814 -4.440 -3.170 1.00 0.00 O ATOM 0 H GLU A 79 -11.405 -4.499 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.283 -2.628 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.700 -3.831 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.427 -2.510 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.499 -5.285 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.271 -4.438 -1.322 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.330 -1.416 -5.097 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.614 -0.185 -5.408 1.00 0.00 C ATOM 1163 C ILE A 80 -10.392 0.665 -6.407 1.00 0.00 C ATOM 1164 O ILE A 80 -10.786 1.792 -6.105 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.214 -0.476 -5.980 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.371 -1.242 -4.958 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.525 0.820 -6.380 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.127 -1.867 -5.548 1.00 0.00 C ATOM 0 H ILE A 80 -9.796 -2.269 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.508 0.363 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.323 -1.096 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.081 -0.563 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.982 -2.024 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.537 0.598 -6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.120 1.329 -7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.424 1.463 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.579 -2.393 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.410 -2.571 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.495 -1.087 -5.973 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.612 0.117 -7.598 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.344 0.824 -8.641 1.00 0.00 C ATOM 1182 C ARG A 81 -12.742 1.204 -8.163 1.00 0.00 C ATOM 1183 O ARG A 81 -13.253 2.274 -8.493 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.441 -0.039 -9.901 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.095 -0.329 -10.545 1.00 0.00 C ATOM 1186 CD ARG A 81 -9.726 0.733 -11.568 1.00 0.00 C ATOM 1187 NE ARG A 81 -8.580 0.336 -12.380 1.00 0.00 N ATOM 1188 CZ ARG A 81 -8.332 0.824 -13.591 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -9.147 1.723 -14.126 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -7.268 0.413 -14.269 1.00 0.00 N ATOM 0 H ARG A 81 -10.293 -0.815 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.799 1.738 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.924 -0.983 -9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.081 0.463 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.325 -0.377 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.124 -1.306 -11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.581 0.924 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.500 1.668 -11.055 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.934 -0.354 -11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.966 2.041 -13.608 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.955 2.096 -15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.639 -0.279 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.079 0.789 -15.198 1.00 0.00 H new ATOM 1204 N SER A 82 -13.356 0.319 -7.383 1.00 0.00 N ATOM 1205 CA SER A 82 -14.697 0.559 -6.863 1.00 0.00 C ATOM 1206 C SER A 82 -14.910 2.042 -6.573 1.00 0.00 C ATOM 1207 O SER A 82 -15.941 2.613 -6.929 1.00 0.00 O ATOM 1208 CB SER A 82 -14.927 -0.259 -5.591 1.00 0.00 C ATOM 1209 OG SER A 82 -16.311 -0.436 -5.342 1.00 0.00 O ATOM 0 H SER A 82 -12.946 -0.570 -7.098 1.00 0.00 H new ATOM 0 HA SER A 82 -15.415 0.248 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.444 -1.232 -5.688 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.463 0.244 -4.743 1.00 0.00 H new ATOM 0 HG SER A 82 -16.432 -0.963 -4.525 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.928 2.658 -5.925 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.006 4.075 -5.586 1.00 0.00 C ATOM 1217 C CYS A 83 -13.129 4.906 -6.516 1.00 0.00 C ATOM 1218 O CYS A 83 -11.912 4.989 -6.351 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.584 4.297 -4.133 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.901 4.007 -2.928 1.00 0.00 S ATOM 0 H CYS A 83 -13.068 2.199 -5.624 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.040 4.396 -5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.746 3.638 -3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.224 5.320 -4.023 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.446 4.218 -1.729 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.760 5.536 -7.518 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.055 6.372 -8.495 1.00 0.00 C ATOM 1228 C PRO A 84 -12.531 7.665 -7.881 1.00 0.00 C ATOM 1229 O PRO A 84 -11.375 8.036 -8.084 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.130 6.674 -9.543 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.420 6.553 -8.808 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.209 5.482 -7.774 1.00 0.00 C ATOM 0 HA PRO A 84 -12.174 5.873 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.005 7.673 -9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.081 5.971 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.693 7.499 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.232 6.287 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.784 5.678 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.516 4.503 -8.141 1.00 0.00 H new ATOM 1240 N SER A 85 -13.389 8.348 -7.129 1.00 0.00 N ATOM 1241 CA SER A 85 -13.012 9.602 -6.487 1.00 0.00 C ATOM 1242 C SER A 85 -11.668 9.468 -5.778 1.00 0.00 C ATOM 1243 O SER A 85 -10.662 10.019 -6.223 1.00 0.00 O ATOM 1244 CB SER A 85 -14.089 10.032 -5.488 1.00 0.00 C ATOM 1245 OG SER A 85 -15.177 10.654 -6.148 1.00 0.00 O ATOM 0 H SER A 85 -14.349 8.054 -6.950 1.00 0.00 H new ATOM 0 HA SER A 85 -12.919 10.364 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.444 9.163 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.660 10.720 -4.760 1.00 0.00 H new ATOM 0 HG SER A 85 -15.852 10.918 -5.488 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.661 8.732 -4.671 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.442 8.525 -3.899 1.00 0.00 C ATOM 1253 C GLU A 86 -10.398 7.116 -3.317 1.00 0.00 C ATOM 1254 O GLU A 86 -11.433 6.470 -3.147 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.344 9.557 -2.773 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.602 10.823 -3.170 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.821 11.959 -2.190 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.423 11.814 -1.015 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -10.389 12.993 -2.598 1.00 0.00 O ATOM 0 H GLU A 86 -12.486 8.269 -4.289 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.592 8.648 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.349 9.823 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.841 9.104 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.536 10.608 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.929 11.136 -4.162 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.193 6.644 -3.014 1.00 0.00 N ATOM 1267 CA ILE A 87 -9.014 5.312 -2.450 1.00 0.00 C ATOM 1268 C ILE A 87 -7.869 5.290 -1.444 1.00 0.00 C ATOM 1269 O ILE A 87 -6.839 5.932 -1.647 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.737 4.269 -3.549 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.411 4.573 -4.249 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.879 4.242 -4.554 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.224 3.872 -3.626 1.00 0.00 C ATOM 0 H ILE A 87 -8.326 7.165 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.944 5.056 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.664 3.285 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.487 4.280 -5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.238 5.649 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.668 3.500 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.807 3.982 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.981 5.224 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.318 4.134 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.122 4.183 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.375 2.793 -3.669 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.057 4.546 -0.359 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.038 4.438 0.678 1.00 0.00 C ATOM 1287 C ILE A 88 -6.490 3.017 0.764 1.00 0.00 C ATOM 1288 O ILE A 88 -7.249 2.051 0.858 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.592 4.846 2.056 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.134 6.276 2.008 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.512 4.719 3.120 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -8.908 6.671 3.246 1.00 0.00 C ATOM 0 H ILE A 88 -8.905 4.009 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.233 5.120 0.402 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.411 4.175 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.302 6.967 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.780 6.382 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.919 5.011 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.168 3.686 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.674 5.369 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.262 7.697 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.761 6.004 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.260 6.598 4.119 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.168 2.897 0.735 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.516 1.594 0.812 1.00 0.00 C ATOM 1306 C LEU A 89 -3.347 1.626 1.791 1.00 0.00 C ATOM 1307 O LEU A 89 -2.502 2.521 1.736 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.025 1.165 -0.572 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.028 2.104 -1.252 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.178 1.344 -2.258 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.758 3.256 -1.929 1.00 0.00 C ATOM 0 H LEU A 89 -4.526 3.686 0.659 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.247 0.871 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.564 0.181 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.891 1.053 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.368 2.516 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.475 2.029 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.627 0.555 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.822 0.902 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.033 3.915 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.442 2.862 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.322 3.818 -1.184 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.303 0.645 2.685 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.236 0.559 3.676 1.00 0.00 C ATOM 1325 C LEU A 90 -1.224 -0.517 3.294 1.00 0.00 C ATOM 1326 O LEU A 90 -1.596 -1.635 2.938 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.820 0.260 5.058 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.808 -0.057 6.159 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.170 1.221 6.681 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.475 -0.823 7.292 1.00 0.00 C ATOM 0 H LEU A 90 -3.994 -0.103 2.744 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.722 1.520 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.413 1.118 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.504 -0.584 4.967 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.024 -0.684 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.452 0.976 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.657 1.731 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.943 1.873 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.740 -1.040 8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.280 -0.221 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.884 -1.757 6.908 1.00 0.00 H new ATOM 1342 N VAL A 91 0.057 -0.172 3.374 1.00 0.00 N ATOM 1343 CA VAL A 91 1.123 -1.108 3.041 1.00 0.00 C ATOM 1344 C VAL A 91 2.160 -1.180 4.156 1.00 0.00 C ATOM 1345 O VAL A 91 2.145 -0.372 5.084 1.00 0.00 O ATOM 1346 CB VAL A 91 1.825 -0.716 1.727 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.849 -0.773 0.562 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.443 0.669 1.847 1.00 0.00 C ATOM 0 H VAL A 91 0.381 0.750 3.667 1.00 0.00 H new ATOM 0 HA VAL A 91 0.658 -2.086 2.918 1.00 0.00 H new ATOM 0 HB VAL A 91 2.625 -1.431 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.363 -0.493 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.457 -1.786 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.026 -0.081 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.935 0.930 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.662 1.398 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.175 0.672 2.654 1.00 0.00 H new ATOM 1358 N TRP A 92 3.059 -2.153 4.058 1.00 0.00 N ATOM 1359 CA TRP A 92 4.105 -2.330 5.059 1.00 0.00 C ATOM 1360 C TRP A 92 5.447 -1.829 4.539 1.00 0.00 C ATOM 1361 O TRP A 92 5.872 -2.189 3.441 1.00 0.00 O ATOM 1362 CB TRP A 92 4.216 -3.803 5.455 1.00 0.00 C ATOM 1363 CG TRP A 92 5.353 -4.083 6.390 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.647 -4.356 6.048 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.298 -4.120 7.820 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.400 -4.560 7.179 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.596 -4.420 8.280 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.280 -3.927 8.758 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 6.898 -4.532 9.634 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.581 -4.039 10.101 1.00 0.00 C ATOM 1371 CH2 TRP A 92 5.882 -4.338 10.530 1.00 0.00 C ATOM 0 H TRP A 92 3.085 -2.831 3.296 1.00 0.00 H new ATOM 0 HA TRP A 92 3.835 -1.744 5.937 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.284 -4.117 5.924 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.338 -4.405 4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.023 -4.404 5.037 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.396 -4.780 7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.275 -3.694 8.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.899 -4.764 9.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.801 -3.894 10.834 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.086 -4.417 11.588 1.00 0.00 H new ATOM 1382 N ARG A 93 6.111 -0.996 5.334 1.00 0.00 N ATOM 1383 CA ARG A 93 7.406 -0.444 4.952 1.00 0.00 C ATOM 1384 C ARG A 93 8.440 -0.673 6.051 1.00 0.00 C ATOM 1385 O ARG A 93 8.141 -0.536 7.237 1.00 0.00 O ATOM 1386 CB ARG A 93 7.280 1.052 4.659 1.00 0.00 C ATOM 1387 CG ARG A 93 8.416 1.604 3.813 1.00 0.00 C ATOM 1388 CD ARG A 93 8.036 2.925 3.163 1.00 0.00 C ATOM 1389 NE ARG A 93 6.852 2.797 2.317 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.057 3.816 2.007 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.319 5.030 2.470 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.999 3.620 1.231 1.00 0.00 N ATOM 0 H ARG A 93 5.774 -0.689 6.246 1.00 0.00 H new ATOM 0 HA ARG A 93 7.740 -0.957 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.335 1.235 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.243 1.597 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.300 1.745 4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.681 0.881 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.850 3.670 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.872 3.289 2.565 1.00 0.00 H new ATOM 0 HE ARG A 93 6.623 1.876 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.132 5.184 3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.707 5.810 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.796 2.687 0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.389 4.402 0.993 1.00 0.00 H new ATOM 1406 N VAL A 94 9.657 -1.023 5.647 1.00 0.00 N ATOM 1407 CA VAL A 94 10.735 -1.270 6.597 1.00 0.00 C ATOM 1408 C VAL A 94 11.919 -0.345 6.337 1.00 0.00 C ATOM 1409 O VAL A 94 12.345 -0.171 5.195 1.00 0.00 O ATOM 1410 CB VAL A 94 11.216 -2.732 6.532 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.594 -3.107 5.107 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.388 -2.950 7.477 1.00 0.00 C ATOM 0 H VAL A 94 9.921 -1.142 4.669 1.00 0.00 H new ATOM 0 HA VAL A 94 10.333 -1.071 7.591 1.00 0.00 H new ATOM 0 HB VAL A 94 10.398 -3.379 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.931 -4.143 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.726 -2.991 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.396 -2.455 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.715 -3.988 7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.211 -2.294 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.079 -2.724 8.498 1.00 0.00 H new ATOM 1422 N SER A 95 12.447 0.245 7.404 1.00 0.00 N ATOM 1423 CA SER A 95 13.580 1.156 7.292 1.00 0.00 C ATOM 1424 C SER A 95 14.659 0.809 8.313 1.00 0.00 C ATOM 1425 O SER A 95 14.434 0.884 9.521 1.00 0.00 O ATOM 1426 CB SER A 95 13.121 2.602 7.490 1.00 0.00 C ATOM 1427 OG SER A 95 12.536 2.781 8.767 1.00 0.00 O ATOM 0 H SER A 95 12.108 0.109 8.356 1.00 0.00 H new ATOM 0 HA SER A 95 14.002 1.050 6.293 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.971 3.275 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.401 2.867 6.716 1.00 0.00 H new ATOM 0 HG SER A 95 12.965 2.179 9.411 1.00 0.00 H new ATOM 1433 N GLY A 96 15.833 0.427 7.819 1.00 0.00 N ATOM 1434 CA GLY A 96 16.930 0.074 8.700 1.00 0.00 C ATOM 1435 C GLY A 96 18.062 -0.618 7.968 1.00 0.00 C ATOM 1436 O GLY A 96 19.165 -0.086 7.841 1.00 0.00 O ATOM 0 H GLY A 96 16.043 0.356 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.310 0.975 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.561 -0.578 9.491 1.00 0.00 H new ATOM 1440 N PRO A 97 17.795 -1.835 7.471 1.00 0.00 N ATOM 1441 CA PRO A 97 18.788 -2.628 6.740 1.00 0.00 C ATOM 1442 C PRO A 97 19.112 -2.034 5.374 1.00 0.00 C ATOM 1443 O PRO A 97 18.454 -2.343 4.380 1.00 0.00 O ATOM 1444 CB PRO A 97 18.109 -3.991 6.584 1.00 0.00 C ATOM 1445 CG PRO A 97 16.650 -3.696 6.646 1.00 0.00 C ATOM 1446 CD PRO A 97 16.502 -2.531 7.585 1.00 0.00 C ATOM 0 HA PRO A 97 19.742 -2.670 7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 97 18.378 -4.461 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 97 18.409 -4.676 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 97 16.259 -3.453 5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.092 -4.560 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.672 -1.886 7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.311 -2.860 8.607 1.00 0.00 H new ATOM 1454 N SER A 98 20.129 -1.179 5.331 1.00 0.00 N ATOM 1455 CA SER A 98 20.538 -0.540 4.086 1.00 0.00 C ATOM 1456 C SER A 98 22.049 -0.634 3.898 1.00 0.00 C ATOM 1457 O SER A 98 22.818 -0.413 4.833 1.00 0.00 O ATOM 1458 CB SER A 98 20.102 0.927 4.075 1.00 0.00 C ATOM 1459 OG SER A 98 20.857 1.691 4.999 1.00 0.00 O ATOM 0 H SER A 98 20.685 -0.913 6.144 1.00 0.00 H new ATOM 0 HA SER A 98 20.054 -1.063 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.224 1.338 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.042 0.996 4.321 1.00 0.00 H new ATOM 0 HG SER A 98 20.560 2.625 4.971 1.00 0.00 H new ATOM 1465 N SER A 99 22.468 -0.964 2.680 1.00 0.00 N ATOM 1466 CA SER A 99 23.886 -1.092 2.368 1.00 0.00 C ATOM 1467 C SER A 99 24.163 -0.688 0.922 1.00 0.00 C ATOM 1468 O SER A 99 23.240 -0.460 0.142 1.00 0.00 O ATOM 1469 CB SER A 99 24.356 -2.528 2.607 1.00 0.00 C ATOM 1470 OG SER A 99 23.643 -3.440 1.790 1.00 0.00 O ATOM 0 H SER A 99 21.845 -1.147 1.893 1.00 0.00 H new ATOM 0 HA SER A 99 24.439 -0.422 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.423 -2.604 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.218 -2.790 3.656 1.00 0.00 H new ATOM 0 HG SER A 99 23.963 -4.351 1.960 1.00 0.00 H new ATOM 1476 N GLY A 100 25.443 -0.604 0.573 1.00 0.00 N ATOM 1477 CA GLY A 100 25.820 -0.229 -0.777 1.00 0.00 C ATOM 1478 C GLY A 100 27.269 -0.550 -1.086 1.00 0.00 C ATOM 1479 O GLY A 100 27.594 -0.982 -2.191 1.00 0.00 O ATOM 0 H GLY A 100 26.225 -0.789 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.177 -0.748 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.651 0.839 -0.915 1.00 0.00 H new TER 1483 GLY A 100