USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 838 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 92 GLN : amide:sc= -0.166 K(o=-0.17,f=-4!) USER MOD Set 1.2: A 97 GLN : amide:sc=-0.00257 X(o=-0.17,f=-0.59) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.3!) USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0.00161 USER MOD Set 3.2: A 34 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00695 X(o=-0.007,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 57 THR OG1 : rot 65:sc= -2.59! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0288 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0729 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -112:sc= -4.2! (180deg=-7.11!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 140:sc= -2.27 (180deg=-4.6!) USER MOD Single : A 83 SER OG : rot 75:sc= 1.17 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0487 USER MOD Single : A 85 TYR OH : rot -54:sc= 1.21 USER MOD Single : A 86 TYR OH : rot 31:sc= -4.12! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.1!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.4!) USER MOD Single : A 108 SER OG : rot 60:sc= 1.17 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.759 8.894 2.776 1.00 0.00 N ATOM 2 CA GLY A 1 -20.532 10.214 2.214 1.00 0.00 C ATOM 3 C GLY A 1 -19.045 10.443 1.935 1.00 0.00 C ATOM 4 O GLY A 1 -18.448 9.744 1.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.775 8.763 2.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.430 8.170 2.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.234 8.802 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.100 10.322 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.898 10.975 2.904 1.00 0.00 H new ATOM 8 N SER A 2 -18.490 11.425 2.630 1.00 0.00 N ATOM 9 CA SER A 2 -17.085 11.755 2.468 1.00 0.00 C ATOM 10 C SER A 2 -16.344 11.554 3.792 1.00 0.00 C ATOM 11 O SER A 2 -16.550 12.305 4.743 1.00 0.00 O ATOM 12 CB SER A 2 -16.909 13.193 1.976 1.00 0.00 C ATOM 13 OG SER A 2 -16.422 13.243 0.638 1.00 0.00 O ATOM 0 H SER A 2 -18.988 12.003 3.307 1.00 0.00 H new ATOM 0 HA SER A 2 -16.663 11.088 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.864 13.716 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.217 13.719 2.634 1.00 0.00 H new ATOM 0 HG SER A 2 -16.325 14.178 0.360 1.00 0.00 H new ATOM 19 N SER A 3 -15.497 10.535 3.810 1.00 0.00 N ATOM 20 CA SER A 3 -14.725 10.225 5.001 1.00 0.00 C ATOM 21 C SER A 3 -13.230 10.366 4.707 1.00 0.00 C ATOM 22 O SER A 3 -12.599 9.429 4.219 1.00 0.00 O ATOM 23 CB SER A 3 -15.035 8.815 5.508 1.00 0.00 C ATOM 24 OG SER A 3 -14.825 8.694 6.912 1.00 0.00 O ATOM 0 H SER A 3 -15.329 9.914 3.019 1.00 0.00 H new ATOM 0 HA SER A 3 -15.004 10.932 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.070 8.565 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.406 8.095 4.984 1.00 0.00 H new ATOM 0 HG SER A 3 -15.035 7.780 7.197 1.00 0.00 H new ATOM 30 N GLY A 4 -12.707 11.543 5.015 1.00 0.00 N ATOM 31 CA GLY A 4 -11.298 11.818 4.790 1.00 0.00 C ATOM 32 C GLY A 4 -11.116 13.025 3.867 1.00 0.00 C ATOM 33 O GLY A 4 -11.899 13.225 2.940 1.00 0.00 O ATOM 0 H GLY A 4 -13.234 12.318 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.804 12.007 5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.819 10.943 4.350 1.00 0.00 H new ATOM 37 N SER A 5 -10.077 13.796 4.151 1.00 0.00 N ATOM 38 CA SER A 5 -9.782 14.977 3.358 1.00 0.00 C ATOM 39 C SER A 5 -8.473 15.612 3.831 1.00 0.00 C ATOM 40 O SER A 5 -7.526 15.742 3.056 1.00 0.00 O ATOM 41 CB SER A 5 -10.923 15.993 3.437 1.00 0.00 C ATOM 42 OG SER A 5 -11.137 16.654 2.193 1.00 0.00 O ATOM 0 H SER A 5 -9.429 13.626 4.920 1.00 0.00 H new ATOM 0 HA SER A 5 -9.675 14.671 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.839 15.486 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.698 16.732 4.206 1.00 0.00 H new ATOM 0 HG SER A 5 -11.874 17.293 2.285 1.00 0.00 H new ATOM 48 N SER A 6 -8.460 15.990 5.101 1.00 0.00 N ATOM 49 CA SER A 6 -7.283 16.607 5.686 1.00 0.00 C ATOM 50 C SER A 6 -6.996 17.943 4.998 1.00 0.00 C ATOM 51 O SER A 6 -7.422 18.167 3.866 1.00 0.00 O ATOM 52 CB SER A 6 -6.067 15.685 5.581 1.00 0.00 C ATOM 53 OG SER A 6 -5.793 15.021 6.812 1.00 0.00 O ATOM 0 H SER A 6 -9.247 15.880 5.741 1.00 0.00 H new ATOM 0 HA SER A 6 -7.480 16.784 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.240 14.944 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.196 16.267 5.281 1.00 0.00 H new ATOM 0 HG SER A 6 -5.011 14.441 6.704 1.00 0.00 H new ATOM 59 N GLY A 7 -6.275 18.797 5.710 1.00 0.00 N ATOM 60 CA GLY A 7 -5.926 20.105 5.182 1.00 0.00 C ATOM 61 C GLY A 7 -4.455 20.152 4.762 1.00 0.00 C ATOM 62 O GLY A 7 -3.566 20.225 5.608 1.00 0.00 O ATOM 0 H GLY A 7 -5.923 18.608 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.560 20.337 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.117 20.868 5.936 1.00 0.00 H new ATOM 66 N PRO A 8 -4.240 20.106 3.420 1.00 0.00 N ATOM 67 CA PRO A 8 -2.892 20.143 2.876 1.00 0.00 C ATOM 68 C PRO A 8 -2.307 21.554 2.957 1.00 0.00 C ATOM 69 O PRO A 8 -2.599 22.401 2.114 1.00 0.00 O ATOM 70 CB PRO A 8 -3.030 19.638 1.449 1.00 0.00 C ATOM 71 CG PRO A 8 -4.502 19.778 1.097 1.00 0.00 C ATOM 72 CD PRO A 8 -5.269 20.019 2.388 1.00 0.00 C ATOM 0 HA PRO A 8 -2.194 19.523 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.409 20.219 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.706 18.600 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.652 20.606 0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.863 18.877 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.855 20.936 2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.966 19.207 2.592 1.00 0.00 H new ATOM 80 N PHE A 9 -1.491 21.764 3.980 1.00 0.00 N ATOM 81 CA PHE A 9 -0.861 23.058 4.182 1.00 0.00 C ATOM 82 C PHE A 9 0.538 22.899 4.779 1.00 0.00 C ATOM 83 O PHE A 9 0.690 22.787 5.995 1.00 0.00 O ATOM 84 CB PHE A 9 -1.738 23.833 5.167 1.00 0.00 C ATOM 85 CG PHE A 9 -1.958 25.298 4.785 1.00 0.00 C ATOM 86 CD1 PHE A 9 -2.186 25.635 3.488 1.00 0.00 C ATOM 87 CD2 PHE A 9 -1.926 26.262 5.743 1.00 0.00 C ATOM 88 CE1 PHE A 9 -2.390 26.995 3.133 1.00 0.00 C ATOM 89 CE2 PHE A 9 -2.130 27.622 5.389 1.00 0.00 C ATOM 90 CZ PHE A 9 -2.358 27.960 4.091 1.00 0.00 C ATOM 0 H PHE A 9 -1.252 21.060 4.678 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.763 23.577 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.706 23.338 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.281 23.791 6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.212 24.869 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.745 25.993 6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.571 27.263 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.104 28.388 6.150 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.514 28.994 3.821 1.00 0.00 H new ATOM 100 N CYS A 10 1.527 22.896 3.896 1.00 0.00 N ATOM 101 CA CYS A 10 2.909 22.753 4.321 1.00 0.00 C ATOM 102 C CYS A 10 3.066 21.389 4.995 1.00 0.00 C ATOM 103 O CYS A 10 3.110 21.300 6.221 1.00 0.00 O ATOM 104 CB CYS A 10 3.339 23.897 5.241 1.00 0.00 C ATOM 105 SG CYS A 10 3.550 25.435 4.271 1.00 0.00 S ATOM 0 H CYS A 10 1.398 22.990 2.889 1.00 0.00 H new ATOM 0 HA CYS A 10 3.566 22.806 3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.592 24.048 6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.273 23.641 5.741 1.00 0.00 H new ATOM 0 HG CYS A 10 3.913 26.401 5.062 1.00 0.00 H new ATOM 111 N ALA A 11 3.146 20.359 4.165 1.00 0.00 N ATOM 112 CA ALA A 11 3.297 19.004 4.666 1.00 0.00 C ATOM 113 C ALA A 11 3.695 18.080 3.513 1.00 0.00 C ATOM 114 O ALA A 11 4.754 17.454 3.551 1.00 0.00 O ATOM 115 CB ALA A 11 1.999 18.562 5.344 1.00 0.00 C ATOM 0 H ALA A 11 3.109 20.436 3.149 1.00 0.00 H new ATOM 0 HA ALA A 11 4.088 18.958 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.113 17.545 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.775 19.233 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.183 18.593 4.622 1.00 0.00 H new ATOM 121 N MET A 12 2.826 18.024 2.514 1.00 0.00 N ATOM 122 CA MET A 12 3.074 17.188 1.352 1.00 0.00 C ATOM 123 C MET A 12 4.245 17.727 0.528 1.00 0.00 C ATOM 124 O MET A 12 4.658 18.872 0.705 1.00 0.00 O ATOM 125 CB MET A 12 1.817 17.138 0.482 1.00 0.00 C ATOM 126 CG MET A 12 1.294 15.705 0.356 1.00 0.00 C ATOM 127 SD MET A 12 -0.333 15.711 -0.377 1.00 0.00 S ATOM 128 CE MET A 12 0.102 15.550 -2.100 1.00 0.00 C ATOM 0 H MET A 12 1.949 18.544 2.486 1.00 0.00 H new ATOM 0 HA MET A 12 3.328 16.186 1.696 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.045 17.774 0.915 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.039 17.536 -0.508 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.975 15.113 -0.255 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.257 15.235 1.339 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.805 15.537 -2.705 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.725 16.393 -2.398 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.652 14.621 -2.251 1.00 0.00 H new ATOM 138 N GLU A 13 4.746 16.877 -0.355 1.00 0.00 N ATOM 139 CA GLU A 13 5.861 17.254 -1.208 1.00 0.00 C ATOM 140 C GLU A 13 6.191 16.121 -2.182 1.00 0.00 C ATOM 141 O GLU A 13 6.516 16.370 -3.342 1.00 0.00 O ATOM 142 CB GLU A 13 7.086 17.633 -0.373 1.00 0.00 C ATOM 143 CG GLU A 13 7.542 16.458 0.496 1.00 0.00 C ATOM 144 CD GLU A 13 8.270 16.953 1.748 1.00 0.00 C ATOM 145 OE1 GLU A 13 9.425 17.404 1.591 1.00 0.00 O ATOM 146 OE2 GLU A 13 7.655 16.868 2.833 1.00 0.00 O ATOM 0 H GLU A 13 4.401 15.928 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 13 5.570 18.131 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.899 17.940 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.849 18.488 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.679 15.859 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.202 15.809 -0.080 1.00 0.00 H new ATOM 153 N ASN A 14 6.096 14.901 -1.675 1.00 0.00 N ATOM 154 CA ASN A 14 6.380 13.729 -2.486 1.00 0.00 C ATOM 155 C ASN A 14 5.088 13.248 -3.150 1.00 0.00 C ATOM 156 O ASN A 14 4.001 13.435 -2.607 1.00 0.00 O ATOM 157 CB ASN A 14 6.926 12.585 -1.629 1.00 0.00 C ATOM 158 CG ASN A 14 7.803 11.647 -2.460 1.00 0.00 C ATOM 159 OD1 ASN A 14 9.006 11.819 -2.574 1.00 0.00 O ATOM 160 ND2 ASN A 14 7.137 10.649 -3.034 1.00 0.00 N ATOM 0 H ASN A 14 5.826 14.698 -0.712 1.00 0.00 H new ATOM 0 HA ASN A 14 7.124 14.008 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.506 12.992 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.098 12.025 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.633 9.970 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.130 10.563 -2.898 1.00 0.00 H new ATOM 167 N GLN A 15 5.251 12.638 -4.315 1.00 0.00 N ATOM 168 CA GLN A 15 4.111 12.129 -5.059 1.00 0.00 C ATOM 169 C GLN A 15 3.211 11.295 -4.145 1.00 0.00 C ATOM 170 O GLN A 15 3.572 11.010 -3.004 1.00 0.00 O ATOM 171 CB GLN A 15 4.567 11.316 -6.272 1.00 0.00 C ATOM 172 CG GLN A 15 5.293 10.041 -5.835 1.00 0.00 C ATOM 173 CD GLN A 15 5.309 9.006 -6.962 1.00 0.00 C ATOM 174 OE1 GLN A 15 5.509 9.319 -8.124 1.00 0.00 O ATOM 175 NE2 GLN A 15 5.088 7.760 -6.555 1.00 0.00 N ATOM 0 H GLN A 15 6.155 12.485 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 15 3.534 12.977 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.704 11.056 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.228 11.921 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.315 10.282 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.802 9.621 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.928 7.567 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.079 6.997 -7.231 1.00 0.00 H new ATOM 184 N VAL A 16 2.057 10.926 -4.682 1.00 0.00 N ATOM 185 CA VAL A 16 1.103 10.130 -3.929 1.00 0.00 C ATOM 186 C VAL A 16 1.436 8.646 -4.099 1.00 0.00 C ATOM 187 O VAL A 16 2.201 8.276 -4.989 1.00 0.00 O ATOM 188 CB VAL A 16 -0.323 10.476 -4.361 1.00 0.00 C ATOM 189 CG1 VAL A 16 -0.576 11.981 -4.264 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.608 9.962 -5.774 1.00 0.00 C ATOM 0 H VAL A 16 1.761 11.164 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 16 1.171 10.358 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.010 9.977 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.597 12.199 -4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.434 12.308 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.123 12.510 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.628 10.221 -6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.090 10.419 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.489 8.879 -5.798 1.00 0.00 H new ATOM 200 N LEU A 17 0.846 7.836 -3.233 1.00 0.00 N ATOM 201 CA LEU A 17 1.071 6.402 -3.276 1.00 0.00 C ATOM 202 C LEU A 17 -0.059 5.736 -4.065 1.00 0.00 C ATOM 203 O LEU A 17 -1.208 6.170 -3.996 1.00 0.00 O ATOM 204 CB LEU A 17 1.245 5.843 -1.862 1.00 0.00 C ATOM 205 CG LEU A 17 1.049 4.334 -1.708 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.367 3.586 -1.920 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.409 3.998 -0.360 1.00 0.00 C ATOM 0 H LEU A 17 0.212 8.146 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 17 2.001 6.179 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.246 6.097 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.540 6.350 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 17 0.360 3.998 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.200 2.515 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.743 3.789 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.098 3.920 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.281 2.919 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.052 4.350 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.563 4.485 -0.287 1.00 0.00 H new ATOM 219 N VAL A 18 0.307 4.695 -4.797 1.00 0.00 N ATOM 220 CA VAL A 18 -0.661 3.966 -5.599 1.00 0.00 C ATOM 221 C VAL A 18 -0.544 2.470 -5.296 1.00 0.00 C ATOM 222 O VAL A 18 0.457 1.842 -5.634 1.00 0.00 O ATOM 223 CB VAL A 18 -0.467 4.293 -7.080 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.470 3.529 -7.947 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.566 5.800 -7.327 1.00 0.00 C ATOM 0 H VAL A 18 1.261 4.338 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.676 4.271 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 18 0.535 3.972 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.310 3.780 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.331 2.457 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.484 3.805 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.424 6.005 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.548 6.156 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.204 6.314 -6.752 1.00 0.00 H new ATOM 235 N ILE A 19 -1.582 1.944 -4.663 1.00 0.00 N ATOM 236 CA ILE A 19 -1.609 0.535 -4.312 1.00 0.00 C ATOM 237 C ILE A 19 -2.396 -0.237 -5.373 1.00 0.00 C ATOM 238 O ILE A 19 -3.575 0.035 -5.596 1.00 0.00 O ATOM 239 CB ILE A 19 -2.145 0.346 -2.891 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.237 1.032 -1.867 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.349 -1.136 -2.574 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.868 1.011 -0.474 1.00 0.00 C ATOM 0 H ILE A 19 -2.411 2.469 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.599 0.126 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.122 0.825 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.270 0.530 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.053 2.062 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.730 -1.242 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.065 -1.563 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.398 -1.661 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.203 1.505 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.824 1.535 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.028 -0.021 -0.163 1.00 0.00 H new ATOM 254 N ARG A 20 -1.712 -1.183 -6.000 1.00 0.00 N ATOM 255 CA ARG A 20 -2.333 -1.996 -7.032 1.00 0.00 C ATOM 256 C ARG A 20 -2.775 -3.342 -6.454 1.00 0.00 C ATOM 257 O ARG A 20 -1.952 -4.231 -6.242 1.00 0.00 O ATOM 258 CB ARG A 20 -1.369 -2.239 -8.195 1.00 0.00 C ATOM 259 CG ARG A 20 -1.845 -3.403 -9.067 1.00 0.00 C ATOM 260 CD ARG A 20 -0.907 -3.615 -10.258 1.00 0.00 C ATOM 261 NE ARG A 20 -0.259 -4.941 -10.161 1.00 0.00 N ATOM 262 CZ ARG A 20 0.446 -5.507 -11.151 1.00 0.00 C ATOM 263 NH1 ARG A 20 0.597 -4.865 -12.317 1.00 0.00 N ATOM 264 NH2 ARG A 20 0.999 -6.714 -10.974 1.00 0.00 N ATOM 0 H ARG A 20 -0.734 -1.405 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.203 -1.454 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.288 -1.336 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.373 -2.453 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.892 -4.314 -8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.855 -3.204 -9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.467 -3.542 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.150 -2.831 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.354 -5.457 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.176 -3.946 -12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.133 -5.295 -13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.884 -7.203 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.535 -7.145 -11.727 1.00 0.00 H new ATOM 278 N ILE A 21 -4.074 -3.449 -6.216 1.00 0.00 N ATOM 279 CA ILE A 21 -4.635 -4.671 -5.667 1.00 0.00 C ATOM 280 C ILE A 21 -4.660 -5.749 -6.753 1.00 0.00 C ATOM 281 O ILE A 21 -5.520 -5.728 -7.632 1.00 0.00 O ATOM 282 CB ILE A 21 -6.004 -4.398 -5.040 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.858 -3.901 -3.600 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.905 -5.631 -5.132 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.625 -2.389 -3.563 1.00 0.00 C ATOM 0 H ILE A 21 -4.754 -2.709 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.009 -5.047 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.487 -3.603 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.756 -4.148 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.025 -4.413 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.872 -5.410 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.048 -5.900 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.439 -6.463 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.525 -2.062 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.714 -2.148 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.471 -1.879 -4.024 1.00 0.00 H new ATOM 297 N LYS A 22 -3.708 -6.664 -6.656 1.00 0.00 N ATOM 298 CA LYS A 22 -3.610 -7.748 -7.619 1.00 0.00 C ATOM 299 C LYS A 22 -4.867 -8.616 -7.533 1.00 0.00 C ATOM 300 O LYS A 22 -4.957 -9.501 -6.683 1.00 0.00 O ATOM 301 CB LYS A 22 -2.309 -8.527 -7.418 1.00 0.00 C ATOM 302 CG LYS A 22 -1.301 -8.206 -8.523 1.00 0.00 C ATOM 303 CD LYS A 22 -1.706 -8.865 -9.843 1.00 0.00 C ATOM 304 CE LYS A 22 -0.696 -9.940 -10.252 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.120 -10.599 -11.507 1.00 0.00 N ATOM 0 H LYS A 22 -2.997 -6.678 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.564 -7.353 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.880 -8.281 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.519 -9.597 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.234 -7.126 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.310 -8.552 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.696 -9.310 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.774 -8.109 -10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.288 -9.491 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.604 -10.681 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.424 -11.325 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.049 -11.044 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.185 -9.891 -12.266 1.00 0.00 H new ATOM 319 N ILE A 23 -5.805 -8.332 -8.424 1.00 0.00 N ATOM 320 CA ILE A 23 -7.053 -9.076 -8.460 1.00 0.00 C ATOM 321 C ILE A 23 -6.760 -10.539 -8.800 1.00 0.00 C ATOM 322 O ILE A 23 -5.887 -10.827 -9.617 1.00 0.00 O ATOM 323 CB ILE A 23 -8.047 -8.410 -9.413 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.240 -6.934 -9.061 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.374 -9.171 -9.440 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.050 -6.779 -7.772 1.00 0.00 C ATOM 0 H ILE A 23 -5.726 -7.597 -9.127 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.531 -9.066 -7.480 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.633 -8.449 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.268 -6.454 -8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.750 -6.425 -9.879 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.063 -8.677 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.200 -10.194 -9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.806 -9.185 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.173 -5.720 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.030 -7.238 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.525 -7.268 -6.951 1.00 0.00 H new ATOM 338 N PRO A 24 -7.527 -11.447 -8.139 1.00 0.00 N ATOM 339 CA PRO A 24 -7.359 -12.873 -8.364 1.00 0.00 C ATOM 340 C PRO A 24 -7.959 -13.291 -9.707 1.00 0.00 C ATOM 341 O PRO A 24 -9.116 -12.988 -9.996 1.00 0.00 O ATOM 342 CB PRO A 24 -8.035 -13.540 -7.177 1.00 0.00 C ATOM 343 CG PRO A 24 -8.955 -12.490 -6.577 1.00 0.00 C ATOM 344 CD PRO A 24 -8.571 -11.142 -7.165 1.00 0.00 C ATOM 0 HA PRO A 24 -6.312 -13.169 -8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.598 -14.419 -7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.299 -13.877 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.996 -12.722 -6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.859 -12.474 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.425 -10.659 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.207 -10.463 -6.394 1.00 0.00 H new ATOM 352 N ASN A 25 -7.146 -13.981 -10.493 1.00 0.00 N ATOM 353 CA ASN A 25 -7.582 -14.444 -11.800 1.00 0.00 C ATOM 354 C ASN A 25 -8.182 -13.271 -12.578 1.00 0.00 C ATOM 355 O ASN A 25 -9.152 -13.442 -13.315 1.00 0.00 O ATOM 356 CB ASN A 25 -8.658 -15.525 -11.670 1.00 0.00 C ATOM 357 CG ASN A 25 -8.027 -16.912 -11.529 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.483 -17.473 -12.466 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.131 -17.432 -10.309 1.00 0.00 N ATOM 0 H ASN A 25 -6.187 -14.231 -10.250 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.716 -14.857 -12.318 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.285 -15.317 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.307 -15.504 -12.545 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.742 -18.354 -10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.599 -16.908 -9.570 1.00 0.00 H new ATOM 366 N SER A 26 -7.581 -12.107 -12.386 1.00 0.00 N ATOM 367 CA SER A 26 -8.043 -10.906 -13.061 1.00 0.00 C ATOM 368 C SER A 26 -6.902 -9.892 -13.166 1.00 0.00 C ATOM 369 O SER A 26 -5.731 -10.263 -13.115 1.00 0.00 O ATOM 370 CB SER A 26 -9.236 -10.288 -12.329 1.00 0.00 C ATOM 371 OG SER A 26 -10.328 -10.033 -13.208 1.00 0.00 O ATOM 0 H SER A 26 -6.778 -11.969 -11.773 1.00 0.00 H new ATOM 0 HA SER A 26 -8.369 -11.181 -14.064 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.560 -10.959 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.927 -9.356 -11.855 1.00 0.00 H new ATOM 0 HG SER A 26 -11.070 -9.640 -12.702 1.00 0.00 H new ATOM 377 N GLY A 27 -7.284 -8.632 -13.311 1.00 0.00 N ATOM 378 CA GLY A 27 -6.307 -7.562 -13.424 1.00 0.00 C ATOM 379 C GLY A 27 -5.844 -7.094 -12.043 1.00 0.00 C ATOM 380 O GLY A 27 -5.636 -7.909 -11.145 1.00 0.00 O ATOM 0 H GLY A 27 -8.257 -8.328 -13.353 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.449 -7.907 -14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.742 -6.724 -13.969 1.00 0.00 H new ATOM 384 N ALA A 28 -5.696 -5.784 -11.916 1.00 0.00 N ATOM 385 CA ALA A 28 -5.261 -5.198 -10.660 1.00 0.00 C ATOM 386 C ALA A 28 -5.720 -3.740 -10.596 1.00 0.00 C ATOM 387 O ALA A 28 -5.386 -2.941 -11.470 1.00 0.00 O ATOM 388 CB ALA A 28 -3.743 -5.337 -10.530 1.00 0.00 C ATOM 0 H ALA A 28 -5.870 -5.111 -12.663 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.710 -5.722 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.417 -4.897 -9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.471 -6.392 -10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.258 -4.821 -11.358 1.00 0.00 H new ATOM 394 N VAL A 29 -6.479 -3.437 -9.553 1.00 0.00 N ATOM 395 CA VAL A 29 -6.988 -2.089 -9.364 1.00 0.00 C ATOM 396 C VAL A 29 -5.979 -1.278 -8.548 1.00 0.00 C ATOM 397 O VAL A 29 -5.320 -1.814 -7.659 1.00 0.00 O ATOM 398 CB VAL A 29 -8.375 -2.139 -8.720 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.745 -0.785 -8.110 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.432 -2.593 -9.729 1.00 0.00 C ATOM 0 H VAL A 29 -6.754 -4.102 -8.830 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.108 -1.588 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.344 -2.873 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.735 -0.848 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.015 -0.518 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.749 -0.024 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.409 -2.620 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.460 -1.895 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.181 -3.588 -10.096 1.00 0.00 H new ATOM 410 N ASP A 30 -5.890 0.002 -8.880 1.00 0.00 N ATOM 411 CA ASP A 30 -4.973 0.892 -8.189 1.00 0.00 C ATOM 412 C ASP A 30 -5.761 1.779 -7.223 1.00 0.00 C ATOM 413 O ASP A 30 -6.657 2.513 -7.638 1.00 0.00 O ATOM 414 CB ASP A 30 -4.241 1.803 -9.177 1.00 0.00 C ATOM 415 CG ASP A 30 -3.027 1.171 -9.862 1.00 0.00 C ATOM 416 OD1 ASP A 30 -2.092 0.793 -9.124 1.00 0.00 O ATOM 417 OD2 ASP A 30 -3.063 1.079 -11.108 1.00 0.00 O ATOM 0 H ASP A 30 -6.438 0.444 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.246 0.280 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.946 2.123 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.916 2.699 -8.649 1.00 0.00 H new ATOM 422 N TRP A 31 -5.398 1.683 -5.952 1.00 0.00 N ATOM 423 CA TRP A 31 -6.059 2.468 -4.924 1.00 0.00 C ATOM 424 C TRP A 31 -5.294 3.784 -4.768 1.00 0.00 C ATOM 425 O TRP A 31 -4.225 3.816 -4.160 1.00 0.00 O ATOM 426 CB TRP A 31 -6.166 1.680 -3.617 1.00 0.00 C ATOM 427 CG TRP A 31 -6.551 2.532 -2.406 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.299 3.644 -2.383 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.173 2.296 -1.033 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.431 4.139 -1.102 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.725 3.293 -0.255 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.391 1.273 -0.467 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.554 3.366 1.133 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.230 1.360 0.921 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.779 2.357 1.718 1.00 0.00 C ATOM 0 H TRP A 31 -4.655 1.073 -5.611 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.085 2.695 -5.212 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.905 0.889 -3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.210 1.195 -3.418 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.743 4.096 -3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.951 4.972 -0.827 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.950 0.483 -1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.996 4.157 1.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.637 0.599 1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.609 2.354 2.784 1.00 0.00 H new ATOM 446 N THR A 32 -5.872 4.837 -5.327 1.00 0.00 N ATOM 447 CA THR A 32 -5.258 6.152 -5.258 1.00 0.00 C ATOM 448 C THR A 32 -5.096 6.589 -3.801 1.00 0.00 C ATOM 449 O THR A 32 -6.052 7.045 -3.176 1.00 0.00 O ATOM 450 CB THR A 32 -6.108 7.115 -6.090 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.579 8.401 -5.780 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.558 7.182 -5.608 1.00 0.00 C ATOM 0 H THR A 32 -6.759 4.806 -5.830 1.00 0.00 H new ATOM 0 HA THR A 32 -4.251 6.141 -5.675 1.00 0.00 H new ATOM 0 HB THR A 32 -6.087 6.807 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.072 9.086 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.117 7.879 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.010 6.192 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.582 7.522 -4.573 1.00 0.00 H new ATOM 460 N VAL A 33 -3.879 6.434 -3.302 1.00 0.00 N ATOM 461 CA VAL A 33 -3.579 6.806 -1.930 1.00 0.00 C ATOM 462 C VAL A 33 -2.741 8.087 -1.925 1.00 0.00 C ATOM 463 O VAL A 33 -1.743 8.182 -2.636 1.00 0.00 O ATOM 464 CB VAL A 33 -2.896 5.642 -1.209 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.630 5.987 0.258 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.723 4.361 -1.330 1.00 0.00 C ATOM 0 H VAL A 33 -3.088 6.056 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.497 7.016 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.935 5.466 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.144 5.143 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.982 6.862 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.574 6.202 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.215 3.549 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.706 4.519 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.839 4.101 -2.382 1.00 0.00 H new ATOM 476 N HIS A 34 -3.179 9.039 -1.115 1.00 0.00 N ATOM 477 CA HIS A 34 -2.483 10.310 -1.008 1.00 0.00 C ATOM 478 C HIS A 34 -1.658 10.336 0.281 1.00 0.00 C ATOM 479 O HIS A 34 -0.500 10.752 0.273 1.00 0.00 O ATOM 480 CB HIS A 34 -3.465 11.478 -1.107 1.00 0.00 C ATOM 481 CG HIS A 34 -4.241 11.520 -2.402 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.402 12.678 -3.142 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.898 10.535 -3.079 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.125 12.392 -4.215 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.432 11.063 -4.174 1.00 0.00 N ATOM 0 H HIS A 34 -4.008 8.956 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.792 10.421 -1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.168 11.420 -0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.915 12.412 -0.994 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.971 9.501 -2.776 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.420 13.088 -4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.981 10.558 -4.870 1.00 0.00 H new ATOM 493 N SER A 35 -2.287 9.887 1.357 1.00 0.00 N ATOM 494 CA SER A 35 -1.625 9.853 2.650 1.00 0.00 C ATOM 495 C SER A 35 -0.800 8.572 2.783 1.00 0.00 C ATOM 496 O SER A 35 -1.062 7.748 3.659 1.00 0.00 O ATOM 497 CB SER A 35 -2.641 9.951 3.791 1.00 0.00 C ATOM 498 OG SER A 35 -2.774 11.285 4.274 1.00 0.00 O ATOM 0 H SER A 35 -3.248 9.544 1.360 1.00 0.00 H new ATOM 0 HA SER A 35 -0.960 10.714 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.610 9.592 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.333 9.299 4.608 1.00 0.00 H new ATOM 0 HG SER A 35 -3.432 11.306 5.000 1.00 0.00 H new ATOM 504 N GLY A 36 0.181 8.444 1.902 1.00 0.00 N ATOM 505 CA GLY A 36 1.047 7.277 1.910 1.00 0.00 C ATOM 506 C GLY A 36 1.479 6.924 3.334 1.00 0.00 C ATOM 507 O GLY A 36 1.290 5.795 3.783 1.00 0.00 O ATOM 0 H GLY A 36 0.396 9.129 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.526 6.430 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.927 7.469 1.296 1.00 0.00 H new ATOM 511 N PRO A 37 2.065 7.939 4.025 1.00 0.00 N ATOM 512 CA PRO A 37 2.526 7.747 5.389 1.00 0.00 C ATOM 513 C PRO A 37 1.348 7.717 6.366 1.00 0.00 C ATOM 514 O PRO A 37 1.398 7.026 7.382 1.00 0.00 O ATOM 515 CB PRO A 37 3.482 8.900 5.647 1.00 0.00 C ATOM 516 CG PRO A 37 3.167 9.947 4.591 1.00 0.00 C ATOM 517 CD PRO A 37 2.305 9.290 3.526 1.00 0.00 C ATOM 0 HA PRO A 37 3.029 6.791 5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.345 9.304 6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.519 8.571 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.644 10.793 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.086 10.335 4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.370 9.832 3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.813 9.272 2.562 1.00 0.00 H new ATOM 525 N GLN A 38 0.317 8.476 6.024 1.00 0.00 N ATOM 526 CA GLN A 38 -0.870 8.545 6.858 1.00 0.00 C ATOM 527 C GLN A 38 -1.858 7.443 6.468 1.00 0.00 C ATOM 528 O GLN A 38 -3.064 7.677 6.411 1.00 0.00 O ATOM 529 CB GLN A 38 -1.525 9.925 6.767 1.00 0.00 C ATOM 530 CG GLN A 38 -1.418 10.671 8.098 1.00 0.00 C ATOM 531 CD GLN A 38 -0.461 11.860 7.985 1.00 0.00 C ATOM 532 OE1 GLN A 38 -0.314 12.474 6.941 1.00 0.00 O ATOM 533 NE2 GLN A 38 0.179 12.149 9.114 1.00 0.00 N ATOM 0 H GLN A 38 0.280 9.048 5.181 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.571 8.388 7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.046 10.508 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.574 9.816 6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.404 11.021 8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.068 9.990 8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.009 11.594 9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.840 12.926 9.141 1.00 0.00 H new ATOM 542 N LEU A 39 -1.309 6.266 6.208 1.00 0.00 N ATOM 543 CA LEU A 39 -2.126 5.127 5.824 1.00 0.00 C ATOM 544 C LEU A 39 -2.033 4.050 6.907 1.00 0.00 C ATOM 545 O LEU A 39 -0.939 3.614 7.261 1.00 0.00 O ATOM 546 CB LEU A 39 -1.736 4.633 4.430 1.00 0.00 C ATOM 547 CG LEU A 39 -2.652 3.574 3.813 1.00 0.00 C ATOM 548 CD1 LEU A 39 -4.054 4.135 3.572 1.00 0.00 C ATOM 549 CD2 LEU A 39 -2.039 2.995 2.537 1.00 0.00 C ATOM 0 H LEU A 39 -0.308 6.076 6.256 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.174 5.417 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.702 5.491 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.726 4.227 4.480 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.752 2.753 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.685 3.362 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.484 4.459 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.994 4.984 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.710 2.245 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.889 3.794 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.080 2.533 2.771 1.00 0.00 H new ATOM 561 N LEU A 40 -3.195 3.652 7.403 1.00 0.00 N ATOM 562 CA LEU A 40 -3.259 2.634 8.438 1.00 0.00 C ATOM 563 C LEU A 40 -3.588 1.283 7.799 1.00 0.00 C ATOM 564 O LEU A 40 -4.124 1.230 6.693 1.00 0.00 O ATOM 565 CB LEU A 40 -4.237 3.049 9.538 1.00 0.00 C ATOM 566 CG LEU A 40 -3.874 4.316 10.316 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.118 4.953 10.938 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.795 4.026 11.362 1.00 0.00 C ATOM 0 H LEU A 40 -4.101 4.016 7.107 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.291 2.528 8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.219 3.192 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.327 2.225 10.246 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.458 5.040 9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.832 5.851 11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.824 5.217 10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.586 4.245 11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.555 4.943 11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.161 3.277 12.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.899 3.651 10.867 1.00 0.00 H new ATOM 580 N PHE A 41 -3.254 0.225 8.524 1.00 0.00 N ATOM 581 CA PHE A 41 -3.508 -1.122 8.042 1.00 0.00 C ATOM 582 C PHE A 41 -4.995 -1.328 7.749 1.00 0.00 C ATOM 583 O PHE A 41 -5.358 -1.848 6.695 1.00 0.00 O ATOM 584 CB PHE A 41 -3.080 -2.082 9.154 1.00 0.00 C ATOM 585 CG PHE A 41 -3.271 -3.560 8.806 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.659 -4.086 7.711 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.052 -4.348 9.593 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.836 -5.457 7.389 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.229 -5.720 9.270 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.617 -6.245 8.175 1.00 0.00 C ATOM 0 H PHE A 41 -2.810 0.274 9.441 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.956 -1.298 7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.030 -1.907 9.387 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.649 -1.855 10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.038 -3.460 7.087 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.537 -3.931 10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.350 -5.874 6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.850 -6.346 9.894 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.751 -7.288 7.930 1.00 0.00 H new ATOM 600 N ARG A 42 -5.816 -0.911 8.702 1.00 0.00 N ATOM 601 CA ARG A 42 -7.256 -1.044 8.559 1.00 0.00 C ATOM 602 C ARG A 42 -7.722 -0.400 7.252 1.00 0.00 C ATOM 603 O ARG A 42 -8.434 -1.025 6.467 1.00 0.00 O ATOM 604 CB ARG A 42 -7.988 -0.388 9.732 1.00 0.00 C ATOM 605 CG ARG A 42 -7.493 -0.946 11.068 1.00 0.00 C ATOM 606 CD ARG A 42 -7.568 -2.474 11.086 1.00 0.00 C ATOM 607 NE ARG A 42 -8.813 -2.928 10.426 1.00 0.00 N ATOM 608 CZ ARG A 42 -10.010 -2.966 11.027 1.00 0.00 C ATOM 609 NH1 ARG A 42 -10.132 -2.579 12.304 1.00 0.00 N ATOM 610 NH2 ARG A 42 -11.085 -3.393 10.350 1.00 0.00 N ATOM 0 H ARG A 42 -5.512 -0.481 9.576 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.491 -2.108 8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.833 0.691 9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.060 -0.559 9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.465 -0.627 11.241 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.094 -0.539 11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.702 -2.895 10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.539 -2.836 12.114 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.756 -3.231 9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.313 -2.255 12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.043 -2.608 12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.991 -3.689 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.997 -3.422 10.807 1.00 0.00 H new ATOM 624 N ASP A 43 -7.301 0.841 7.058 1.00 0.00 N ATOM 625 CA ASP A 43 -7.666 1.576 5.859 1.00 0.00 C ATOM 626 C ASP A 43 -7.522 0.661 4.641 1.00 0.00 C ATOM 627 O ASP A 43 -8.441 0.553 3.830 1.00 0.00 O ATOM 628 CB ASP A 43 -6.750 2.784 5.653 1.00 0.00 C ATOM 629 CG ASP A 43 -7.107 4.016 6.487 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.160 4.619 6.187 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.319 4.327 7.406 1.00 0.00 O ATOM 0 H ASP A 43 -6.711 1.356 7.711 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.694 1.918 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.727 2.489 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.769 3.060 4.599 1.00 0.00 H new ATOM 636 N VAL A 44 -6.363 0.026 4.551 1.00 0.00 N ATOM 637 CA VAL A 44 -6.087 -0.876 3.446 1.00 0.00 C ATOM 638 C VAL A 44 -7.207 -1.914 3.349 1.00 0.00 C ATOM 639 O VAL A 44 -7.706 -2.194 2.261 1.00 0.00 O ATOM 640 CB VAL A 44 -4.703 -1.504 3.616 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.416 -2.509 2.499 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.617 -0.429 3.680 1.00 0.00 C ATOM 0 H VAL A 44 -5.604 0.118 5.226 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.067 -0.330 2.503 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.694 -2.044 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.426 -2.941 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.164 -3.301 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.453 -2.002 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.643 -0.903 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.626 0.152 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.807 0.231 4.527 1.00 0.00 H new ATOM 652 N LEU A 45 -7.570 -2.456 4.503 1.00 0.00 N ATOM 653 CA LEU A 45 -8.621 -3.457 4.562 1.00 0.00 C ATOM 654 C LEU A 45 -9.963 -2.800 4.232 1.00 0.00 C ATOM 655 O LEU A 45 -10.809 -3.404 3.573 1.00 0.00 O ATOM 656 CB LEU A 45 -8.603 -4.174 5.913 1.00 0.00 C ATOM 657 CG LEU A 45 -7.406 -5.091 6.170 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.948 -5.769 4.877 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.268 -4.330 6.853 1.00 0.00 C ATOM 0 H LEU A 45 -7.154 -2.220 5.404 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.452 -4.232 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.635 -3.422 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.514 -4.766 6.000 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.720 -5.880 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.096 -6.415 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.764 -6.366 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.657 -5.010 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.430 -5.005 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.946 -3.507 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.616 -3.935 7.807 1.00 0.00 H new ATOM 671 N ASP A 46 -10.117 -1.572 4.705 1.00 0.00 N ATOM 672 CA ASP A 46 -11.342 -0.827 4.468 1.00 0.00 C ATOM 673 C ASP A 46 -11.487 -0.555 2.969 1.00 0.00 C ATOM 674 O ASP A 46 -12.594 -0.341 2.478 1.00 0.00 O ATOM 675 CB ASP A 46 -11.316 0.520 5.193 1.00 0.00 C ATOM 676 CG ASP A 46 -11.890 0.503 6.610 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.311 -0.593 7.039 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.895 1.587 7.234 1.00 0.00 O ATOM 0 H ASP A 46 -9.414 -1.074 5.251 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.176 -1.421 4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.285 0.871 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.873 1.245 4.600 1.00 0.00 H new ATOM 683 N VAL A 47 -10.353 -0.572 2.285 1.00 0.00 N ATOM 684 CA VAL A 47 -10.340 -0.330 0.852 1.00 0.00 C ATOM 685 C VAL A 47 -10.464 -1.664 0.113 1.00 0.00 C ATOM 686 O VAL A 47 -11.415 -1.875 -0.638 1.00 0.00 O ATOM 687 CB VAL A 47 -9.084 0.453 0.465 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.964 0.580 -1.055 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.068 1.829 1.134 1.00 0.00 C ATOM 0 H VAL A 47 -9.437 -0.750 2.696 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.192 0.284 0.561 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.218 -0.103 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.063 1.141 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.907 -0.414 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.836 1.103 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.165 2.365 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.944 2.396 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.084 1.707 2.217 1.00 0.00 H new ATOM 699 N ILE A 48 -9.490 -2.530 0.352 1.00 0.00 N ATOM 700 CA ILE A 48 -9.478 -3.837 -0.282 1.00 0.00 C ATOM 701 C ILE A 48 -10.896 -4.413 -0.279 1.00 0.00 C ATOM 702 O ILE A 48 -11.374 -4.900 -1.302 1.00 0.00 O ATOM 703 CB ILE A 48 -8.443 -4.746 0.384 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.021 -4.325 0.009 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.712 -6.216 0.054 1.00 0.00 C ATOM 706 CD1 ILE A 48 -5.986 -5.226 0.686 1.00 0.00 C ATOM 0 H ILE A 48 -8.703 -2.352 0.976 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.170 -3.753 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.536 -4.636 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.897 -4.372 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.855 -3.289 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.962 -6.841 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.703 -6.494 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.662 -6.362 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.984 -4.905 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.097 -5.158 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.140 -6.258 0.370 1.00 0.00 H new ATOM 718 N GLY A 49 -11.528 -4.338 0.883 1.00 0.00 N ATOM 719 CA GLY A 49 -12.881 -4.846 1.032 1.00 0.00 C ATOM 720 C GLY A 49 -13.764 -4.408 -0.138 1.00 0.00 C ATOM 721 O GLY A 49 -14.559 -5.195 -0.649 1.00 0.00 O ATOM 0 H GLY A 49 -11.128 -3.933 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.860 -5.934 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.307 -4.486 1.968 1.00 0.00 H new ATOM 725 N GLN A 50 -13.595 -3.153 -0.527 1.00 0.00 N ATOM 726 CA GLN A 50 -14.366 -2.600 -1.627 1.00 0.00 C ATOM 727 C GLN A 50 -13.975 -3.276 -2.943 1.00 0.00 C ATOM 728 O GLN A 50 -14.805 -3.429 -3.837 1.00 0.00 O ATOM 729 CB GLN A 50 -14.186 -1.083 -1.716 1.00 0.00 C ATOM 730 CG GLN A 50 -14.568 -0.408 -0.397 1.00 0.00 C ATOM 731 CD GLN A 50 -15.574 0.721 -0.631 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.708 0.505 -1.026 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.098 1.934 -0.364 1.00 0.00 N ATOM 0 H GLN A 50 -12.935 -2.503 -0.100 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.421 -2.797 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.150 -0.850 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.802 -0.687 -2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.995 -1.145 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.675 -0.010 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.138 2.045 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.693 2.754 -0.487 1.00 0.00 H new ATOM 742 N VAL A 51 -12.710 -3.663 -3.018 1.00 0.00 N ATOM 743 CA VAL A 51 -12.198 -4.320 -4.209 1.00 0.00 C ATOM 744 C VAL A 51 -12.680 -5.772 -4.233 1.00 0.00 C ATOM 745 O VAL A 51 -13.047 -6.291 -5.286 1.00 0.00 O ATOM 746 CB VAL A 51 -10.674 -4.194 -4.262 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.120 -4.793 -5.557 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.238 -2.737 -4.101 1.00 0.00 C ATOM 0 H VAL A 51 -12.025 -3.534 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.582 -3.836 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.261 -4.760 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.035 -4.691 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.386 -5.849 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.544 -4.267 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.150 -2.676 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.666 -2.138 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.586 -2.357 -3.141 1.00 0.00 H new ATOM 758 N LEU A 52 -12.663 -6.387 -3.059 1.00 0.00 N ATOM 759 CA LEU A 52 -13.093 -7.768 -2.932 1.00 0.00 C ATOM 760 C LEU A 52 -14.256 -7.847 -1.940 1.00 0.00 C ATOM 761 O LEU A 52 -14.069 -8.236 -0.788 1.00 0.00 O ATOM 762 CB LEU A 52 -11.910 -8.666 -2.564 1.00 0.00 C ATOM 763 CG LEU A 52 -10.976 -9.050 -3.714 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.097 -7.866 -4.124 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.145 -10.284 -3.357 1.00 0.00 C ATOM 0 H LEU A 52 -12.358 -5.953 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.462 -8.141 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.322 -8.162 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.299 -9.581 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.587 -9.313 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.443 -8.165 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.729 -7.039 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.493 -7.550 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.490 -10.535 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.543 -10.074 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.810 -11.123 -3.152 1.00 0.00 H new ATOM 777 N PRO A 53 -15.461 -7.460 -2.436 1.00 0.00 N ATOM 778 CA PRO A 53 -16.654 -7.482 -1.607 1.00 0.00 C ATOM 779 C PRO A 53 -17.156 -8.914 -1.408 1.00 0.00 C ATOM 780 O PRO A 53 -17.880 -9.194 -0.454 1.00 0.00 O ATOM 781 CB PRO A 53 -17.654 -6.597 -2.332 1.00 0.00 C ATOM 782 CG PRO A 53 -17.153 -6.488 -3.763 1.00 0.00 C ATOM 783 CD PRO A 53 -15.720 -6.993 -3.795 1.00 0.00 C ATOM 0 HA PRO A 53 -16.473 -7.110 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.654 -7.030 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.717 -5.614 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.780 -7.076 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.201 -5.455 -4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.600 -7.798 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.027 -6.201 -4.080 1.00 0.00 H new ATOM 791 N GLU A 54 -16.752 -9.782 -2.324 1.00 0.00 N ATOM 792 CA GLU A 54 -17.152 -11.177 -2.261 1.00 0.00 C ATOM 793 C GLU A 54 -16.029 -12.025 -1.660 1.00 0.00 C ATOM 794 O GLU A 54 -16.147 -13.246 -1.572 1.00 0.00 O ATOM 795 CB GLU A 54 -17.551 -11.696 -3.644 1.00 0.00 C ATOM 796 CG GLU A 54 -17.851 -10.539 -4.598 1.00 0.00 C ATOM 797 CD GLU A 54 -18.780 -10.987 -5.728 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.940 -11.326 -5.408 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.309 -10.980 -6.886 1.00 0.00 O ATOM 0 H GLU A 54 -16.152 -9.546 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.026 -11.255 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.748 -12.309 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.428 -12.337 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.312 -9.719 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.920 -10.158 -5.017 1.00 0.00 H new ATOM 806 N ALA A 55 -14.965 -11.343 -1.261 1.00 0.00 N ATOM 807 CA ALA A 55 -13.822 -12.018 -0.671 1.00 0.00 C ATOM 808 C ALA A 55 -13.097 -11.055 0.271 1.00 0.00 C ATOM 809 O ALA A 55 -12.069 -10.484 -0.089 1.00 0.00 O ATOM 810 CB ALA A 55 -12.910 -12.544 -1.781 1.00 0.00 C ATOM 0 H ALA A 55 -14.871 -10.330 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.146 -12.876 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.052 -13.050 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.464 -13.246 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.563 -11.711 -2.392 1.00 0.00 H new ATOM 816 N THR A 56 -13.661 -10.904 1.461 1.00 0.00 N ATOM 817 CA THR A 56 -13.081 -10.020 2.457 1.00 0.00 C ATOM 818 C THR A 56 -11.577 -10.269 2.580 1.00 0.00 C ATOM 819 O THR A 56 -11.046 -11.197 1.972 1.00 0.00 O ATOM 820 CB THR A 56 -13.840 -10.225 3.770 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.093 -9.475 4.724 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.753 -11.666 4.278 1.00 0.00 C ATOM 0 H THR A 56 -14.514 -11.379 1.757 1.00 0.00 H new ATOM 0 HA THR A 56 -13.183 -8.975 2.165 1.00 0.00 H new ATOM 0 HB THR A 56 -14.886 -9.952 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.517 -9.551 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.308 -11.757 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.180 -12.340 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.709 -11.929 4.449 1.00 0.00 H new ATOM 830 N THR A 57 -10.932 -9.423 3.371 1.00 0.00 N ATOM 831 CA THR A 57 -9.499 -9.540 3.582 1.00 0.00 C ATOM 832 C THR A 57 -9.077 -8.750 4.822 1.00 0.00 C ATOM 833 O THR A 57 -9.573 -7.650 5.061 1.00 0.00 O ATOM 834 CB THR A 57 -8.795 -9.084 2.302 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.615 -10.286 1.558 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.371 -8.590 2.562 1.00 0.00 C ATOM 0 H THR A 57 -11.376 -8.654 3.873 1.00 0.00 H new ATOM 0 HA THR A 57 -9.210 -10.572 3.779 1.00 0.00 H new ATOM 0 HB THR A 57 -9.375 -8.290 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.490 -10.650 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.917 -8.278 1.622 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.399 -7.744 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.781 -9.395 3.001 1.00 0.00 H new ATOM 844 N THR A 58 -8.165 -9.342 5.579 1.00 0.00 N ATOM 845 CA THR A 58 -7.669 -8.708 6.789 1.00 0.00 C ATOM 846 C THR A 58 -6.209 -8.290 6.612 1.00 0.00 C ATOM 847 O THR A 58 -5.787 -7.259 7.134 1.00 0.00 O ATOM 848 CB THR A 58 -7.888 -9.676 7.953 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.288 -9.604 8.206 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.249 -9.182 9.253 1.00 0.00 C ATOM 0 H THR A 58 -7.756 -10.255 5.378 1.00 0.00 H new ATOM 0 HA THR A 58 -8.213 -7.788 7.006 1.00 0.00 H new ATOM 0 HB THR A 58 -7.478 -10.653 7.695 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.518 -10.203 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.434 -9.905 10.047 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.175 -9.067 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.683 -8.221 9.529 1.00 0.00 H new ATOM 858 N ALA A 59 -5.476 -9.111 5.874 1.00 0.00 N ATOM 859 CA ALA A 59 -4.071 -8.840 5.623 1.00 0.00 C ATOM 860 C ALA A 59 -3.817 -8.846 4.114 1.00 0.00 C ATOM 861 O ALA A 59 -4.715 -9.156 3.331 1.00 0.00 O ATOM 862 CB ALA A 59 -3.212 -9.866 6.363 1.00 0.00 C ATOM 0 H ALA A 59 -5.829 -9.965 5.442 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.797 -7.855 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.158 -9.662 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.408 -9.801 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.457 -10.868 6.010 1.00 0.00 H new ATOM 868 N PHE A 60 -2.591 -8.501 3.750 1.00 0.00 N ATOM 869 CA PHE A 60 -2.208 -8.463 2.349 1.00 0.00 C ATOM 870 C PHE A 60 -0.691 -8.584 2.192 1.00 0.00 C ATOM 871 O PHE A 60 0.063 -8.155 3.064 1.00 0.00 O ATOM 872 CB PHE A 60 -2.659 -7.109 1.799 1.00 0.00 C ATOM 873 CG PHE A 60 -2.284 -5.920 2.685 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.064 -5.593 3.750 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.170 -5.191 2.408 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.715 -4.490 4.573 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.821 -4.087 3.231 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.601 -3.760 4.296 1.00 0.00 C ATOM 0 H PHE A 60 -1.849 -8.245 4.402 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.669 -9.294 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.220 -6.965 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.741 -7.124 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.949 -6.172 3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.551 -5.451 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.334 -4.230 5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.063 -3.508 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.336 -2.921 4.922 1.00 0.00 H new ATOM 888 N GLU A 61 -0.289 -9.171 1.074 1.00 0.00 N ATOM 889 CA GLU A 61 1.125 -9.354 0.792 1.00 0.00 C ATOM 890 C GLU A 61 1.588 -8.353 -0.268 1.00 0.00 C ATOM 891 O GLU A 61 0.780 -7.850 -1.047 1.00 0.00 O ATOM 892 CB GLU A 61 1.414 -10.791 0.353 1.00 0.00 C ATOM 893 CG GLU A 61 0.984 -11.791 1.428 1.00 0.00 C ATOM 894 CD GLU A 61 1.510 -13.193 1.116 1.00 0.00 C ATOM 895 OE1 GLU A 61 2.751 -13.336 1.069 1.00 0.00 O ATOM 896 OE2 GLU A 61 0.660 -14.090 0.930 1.00 0.00 O ATOM 0 H GLU A 61 -0.917 -9.526 0.353 1.00 0.00 H new ATOM 0 HA GLU A 61 1.686 -9.169 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.887 -11.003 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.479 -10.906 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.356 -11.467 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.104 -11.813 1.494 1.00 0.00 H new ATOM 903 N TYR A 62 2.887 -8.093 -0.263 1.00 0.00 N ATOM 904 CA TYR A 62 3.468 -7.161 -1.215 1.00 0.00 C ATOM 905 C TYR A 62 4.913 -7.540 -1.541 1.00 0.00 C ATOM 906 O TYR A 62 5.714 -7.784 -0.640 1.00 0.00 O ATOM 907 CB TYR A 62 3.454 -5.794 -0.527 1.00 0.00 C ATOM 908 CG TYR A 62 4.660 -5.543 0.381 1.00 0.00 C ATOM 909 CD1 TYR A 62 5.867 -5.156 -0.165 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.540 -5.702 1.747 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.001 -4.919 0.690 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.674 -5.466 2.601 1.00 0.00 C ATOM 913 CZ TYR A 62 6.849 -5.086 2.031 1.00 0.00 C ATOM 914 OH TYR A 62 7.920 -4.862 2.838 1.00 0.00 O ATOM 0 H TYR A 62 3.554 -8.511 0.385 1.00 0.00 H new ATOM 0 HA TYR A 62 2.906 -7.165 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.417 -5.015 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.542 -5.705 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.961 -5.031 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.595 -6.003 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.951 -4.615 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.594 -5.588 3.671 1.00 0.00 H new ATOM 0 HH TYR A 62 7.665 -5.019 3.771 1.00 0.00 H new ATOM 924 N GLU A 63 5.204 -7.578 -2.833 1.00 0.00 N ATOM 925 CA GLU A 63 6.539 -7.924 -3.290 1.00 0.00 C ATOM 926 C GLU A 63 7.559 -6.914 -2.761 1.00 0.00 C ATOM 927 O GLU A 63 7.318 -5.708 -2.791 1.00 0.00 O ATOM 928 CB GLU A 63 6.592 -8.007 -4.817 1.00 0.00 C ATOM 929 CG GLU A 63 6.305 -9.430 -5.299 1.00 0.00 C ATOM 930 CD GLU A 63 6.745 -9.616 -6.753 1.00 0.00 C ATOM 931 OE1 GLU A 63 6.638 -8.627 -7.509 1.00 0.00 O ATOM 932 OE2 GLU A 63 7.180 -10.743 -7.075 1.00 0.00 O ATOM 0 H GLU A 63 4.538 -7.375 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 63 6.793 -8.908 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.864 -7.320 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.575 -7.692 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.827 -10.145 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.239 -9.641 -5.208 1.00 0.00 H new ATOM 939 N ASP A 64 8.678 -7.444 -2.287 1.00 0.00 N ATOM 940 CA ASP A 64 9.735 -6.604 -1.751 1.00 0.00 C ATOM 941 C ASP A 64 10.819 -6.415 -2.815 1.00 0.00 C ATOM 942 O ASP A 64 10.534 -6.457 -4.011 1.00 0.00 O ATOM 943 CB ASP A 64 10.384 -7.249 -0.525 1.00 0.00 C ATOM 944 CG ASP A 64 11.396 -8.354 -0.835 1.00 0.00 C ATOM 945 OD1 ASP A 64 11.398 -8.812 -1.998 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.146 -8.715 0.098 1.00 0.00 O ATOM 0 H ASP A 64 8.875 -8.445 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 64 9.294 -5.649 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.883 -6.472 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.599 -7.663 0.107 1.00 0.00 H new ATOM 951 N GLU A 65 12.040 -6.212 -2.341 1.00 0.00 N ATOM 952 CA GLU A 65 13.167 -6.017 -3.236 1.00 0.00 C ATOM 953 C GLU A 65 13.406 -7.276 -4.072 1.00 0.00 C ATOM 954 O GLU A 65 13.504 -7.204 -5.296 1.00 0.00 O ATOM 955 CB GLU A 65 14.426 -5.630 -2.456 1.00 0.00 C ATOM 956 CG GLU A 65 14.907 -6.790 -1.581 1.00 0.00 C ATOM 957 CD GLU A 65 15.985 -6.326 -0.600 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.166 -6.338 -1.007 1.00 0.00 O ATOM 959 OE2 GLU A 65 15.603 -5.969 0.535 1.00 0.00 O ATOM 0 H GLU A 65 12.273 -6.178 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 65 12.931 -5.195 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.215 -5.343 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.219 -4.761 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.065 -7.208 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.302 -7.586 -2.212 1.00 0.00 H new ATOM 966 N ASP A 66 13.491 -8.401 -3.377 1.00 0.00 N ATOM 967 CA ASP A 66 13.716 -9.675 -4.040 1.00 0.00 C ATOM 968 C ASP A 66 12.375 -10.245 -4.507 1.00 0.00 C ATOM 969 O ASP A 66 12.289 -11.416 -4.876 1.00 0.00 O ATOM 970 CB ASP A 66 14.354 -10.687 -3.087 1.00 0.00 C ATOM 971 CG ASP A 66 15.777 -11.113 -3.453 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.273 -10.607 -4.483 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.337 -11.933 -2.695 1.00 0.00 O ATOM 0 H ASP A 66 13.408 -8.457 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 66 14.385 -9.503 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.365 -10.261 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.723 -11.575 -3.049 1.00 0.00 H new ATOM 978 N GLY A 67 11.362 -9.392 -4.476 1.00 0.00 N ATOM 979 CA GLY A 67 10.030 -9.796 -4.892 1.00 0.00 C ATOM 980 C GLY A 67 9.409 -10.762 -3.880 1.00 0.00 C ATOM 981 O GLY A 67 8.470 -11.486 -4.204 1.00 0.00 O ATOM 0 H GLY A 67 11.437 -8.422 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.395 -8.916 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.080 -10.272 -5.871 1.00 0.00 H new ATOM 985 N ASP A 68 9.960 -10.740 -2.675 1.00 0.00 N ATOM 986 CA ASP A 68 9.472 -11.604 -1.614 1.00 0.00 C ATOM 987 C ASP A 68 8.121 -11.085 -1.120 1.00 0.00 C ATOM 988 O ASP A 68 8.038 -9.992 -0.562 1.00 0.00 O ATOM 989 CB ASP A 68 10.437 -11.617 -0.427 1.00 0.00 C ATOM 990 CG ASP A 68 11.583 -12.624 -0.535 1.00 0.00 C ATOM 991 OD1 ASP A 68 12.516 -12.340 -1.318 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.502 -13.655 0.167 1.00 0.00 O ATOM 0 H ASP A 68 10.739 -10.138 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 68 9.381 -12.613 -2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.860 -10.619 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.871 -11.830 0.480 1.00 0.00 H new ATOM 997 N ARG A 69 7.095 -11.893 -1.343 1.00 0.00 N ATOM 998 CA ARG A 69 5.751 -11.529 -0.927 1.00 0.00 C ATOM 999 C ARG A 69 5.677 -11.422 0.597 1.00 0.00 C ATOM 1000 O ARG A 69 5.542 -12.431 1.288 1.00 0.00 O ATOM 1001 CB ARG A 69 4.727 -12.558 -1.410 1.00 0.00 C ATOM 1002 CG ARG A 69 4.664 -12.594 -2.938 1.00 0.00 C ATOM 1003 CD ARG A 69 3.935 -11.367 -3.487 1.00 0.00 C ATOM 1004 NE ARG A 69 3.514 -11.610 -4.885 1.00 0.00 N ATOM 1005 CZ ARG A 69 2.409 -12.285 -5.230 1.00 0.00 C ATOM 1006 NH1 ARG A 69 1.607 -12.787 -4.282 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.107 -12.457 -6.524 1.00 0.00 N ATOM 0 H ARG A 69 7.167 -12.799 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 69 5.516 -10.563 -1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.991 -13.545 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.744 -12.314 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.674 -12.634 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.153 -13.500 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.064 -11.145 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.588 -10.496 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 69 4.102 -11.241 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.837 -12.656 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.766 -13.301 -4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.718 -12.074 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.266 -12.971 -6.788 1.00 0.00 H new ATOM 1021 N ILE A 70 5.770 -10.191 1.078 1.00 0.00 N ATOM 1022 CA ILE A 70 5.716 -9.940 2.508 1.00 0.00 C ATOM 1023 C ILE A 70 4.280 -10.131 3.001 1.00 0.00 C ATOM 1024 O ILE A 70 3.373 -10.369 2.205 1.00 0.00 O ATOM 1025 CB ILE A 70 6.299 -8.563 2.832 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.521 -8.265 1.960 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.617 -8.440 4.324 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.502 -9.439 1.972 1.00 0.00 C ATOM 0 H ILE A 70 5.882 -9.356 0.503 1.00 0.00 H new ATOM 0 HA ILE A 70 6.336 -10.658 3.045 1.00 0.00 H new ATOM 0 HB ILE A 70 5.546 -7.810 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.202 -8.063 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.020 -7.366 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.030 -7.452 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.704 -8.578 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.344 -9.202 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.361 -9.202 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.837 -9.622 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.007 -10.331 1.587 1.00 0.00 H new ATOM 1040 N THR A 71 4.118 -10.019 4.311 1.00 0.00 N ATOM 1041 CA THR A 71 2.808 -10.177 4.919 1.00 0.00 C ATOM 1042 C THR A 71 2.584 -9.104 5.987 1.00 0.00 C ATOM 1043 O THR A 71 3.332 -9.025 6.960 1.00 0.00 O ATOM 1044 CB THR A 71 2.707 -11.604 5.461 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.909 -12.426 4.315 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.292 -11.955 5.926 1.00 0.00 C ATOM 0 H THR A 71 4.872 -9.821 4.968 1.00 0.00 H new ATOM 0 HA THR A 71 2.012 -10.035 4.188 1.00 0.00 H new ATOM 0 HB THR A 71 3.403 -11.727 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.861 -13.369 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.276 -12.978 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.990 -11.272 6.720 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.601 -11.865 5.088 1.00 0.00 H new ATOM 1054 N VAL A 72 1.550 -8.305 5.769 1.00 0.00 N ATOM 1055 CA VAL A 72 1.217 -7.241 6.701 1.00 0.00 C ATOM 1056 C VAL A 72 -0.012 -7.648 7.517 1.00 0.00 C ATOM 1057 O VAL A 72 -1.130 -7.643 7.005 1.00 0.00 O ATOM 1058 CB VAL A 72 1.023 -5.925 5.945 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.672 -4.787 6.905 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.262 -5.581 5.116 1.00 0.00 C ATOM 0 H VAL A 72 0.932 -8.373 4.961 1.00 0.00 H new ATOM 0 HA VAL A 72 2.035 -7.080 7.404 1.00 0.00 H new ATOM 0 HB VAL A 72 0.186 -6.054 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.540 -3.863 6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.252 -5.027 7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.478 -4.659 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.098 -4.641 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.125 -5.481 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.448 -6.375 4.393 1.00 0.00 H new ATOM 1070 N ARG A 73 0.238 -7.991 8.772 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.834 -8.400 9.663 1.00 0.00 C ATOM 1072 C ARG A 73 -1.036 -7.358 10.764 1.00 0.00 C ATOM 1073 O ARG A 73 -1.913 -7.508 11.614 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.530 -9.756 10.304 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.868 -10.902 9.348 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.360 -12.130 10.117 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.828 -12.066 10.288 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.554 -13.005 10.910 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -2.951 -14.086 11.425 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.882 -12.864 11.019 1.00 0.00 N ATOM 0 H ARG A 73 1.167 -7.994 9.193 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.744 -8.487 9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.524 -9.805 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.104 -9.864 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.634 -10.579 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.013 -11.164 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.088 -13.039 9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.874 -12.178 11.091 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.318 -11.256 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.940 -14.193 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.503 -14.801 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.341 -12.041 10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.434 -13.579 11.493 1.00 0.00 H new ATOM 1094 N SER A 74 -0.210 -6.323 10.714 1.00 0.00 N ATOM 1095 CA SER A 74 -0.287 -5.255 11.697 1.00 0.00 C ATOM 1096 C SER A 74 0.179 -3.937 11.075 1.00 0.00 C ATOM 1097 O SER A 74 0.674 -3.919 9.950 1.00 0.00 O ATOM 1098 CB SER A 74 0.551 -5.584 12.934 1.00 0.00 C ATOM 1099 OG SER A 74 0.005 -5.009 14.117 1.00 0.00 O ATOM 0 H SER A 74 0.516 -6.201 10.008 1.00 0.00 H new ATOM 0 HA SER A 74 -1.326 -5.154 12.012 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.613 -6.666 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.568 -5.220 12.790 1.00 0.00 H new ATOM 0 HG SER A 74 0.568 -5.243 14.884 1.00 0.00 H new ATOM 1105 N ASP A 75 0.002 -2.866 11.835 1.00 0.00 N ATOM 1106 CA ASP A 75 0.398 -1.547 11.373 1.00 0.00 C ATOM 1107 C ASP A 75 1.913 -1.518 11.164 1.00 0.00 C ATOM 1108 O ASP A 75 2.398 -0.949 10.187 1.00 0.00 O ATOM 1109 CB ASP A 75 0.042 -0.473 12.403 1.00 0.00 C ATOM 1110 CG ASP A 75 0.378 -0.829 13.852 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.199 -1.825 14.340 1.00 0.00 O ATOM 1112 OD2 ASP A 75 1.206 -0.099 14.439 1.00 0.00 O ATOM 0 H ASP A 75 -0.410 -2.885 12.768 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.131 -1.343 10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.564 0.447 12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.026 -0.265 12.334 1.00 0.00 H new ATOM 1117 N GLU A 76 2.619 -2.138 12.098 1.00 0.00 N ATOM 1118 CA GLU A 76 4.070 -2.191 12.028 1.00 0.00 C ATOM 1119 C GLU A 76 4.519 -2.640 10.636 1.00 0.00 C ATOM 1120 O GLU A 76 5.268 -1.934 9.964 1.00 0.00 O ATOM 1121 CB GLU A 76 4.638 -3.111 13.111 1.00 0.00 C ATOM 1122 CG GLU A 76 5.786 -2.432 13.860 1.00 0.00 C ATOM 1123 CD GLU A 76 7.032 -3.320 13.874 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.993 -4.342 14.593 1.00 0.00 O ATOM 1125 OE2 GLU A 76 7.996 -2.957 13.165 1.00 0.00 O ATOM 0 H GLU A 76 2.214 -2.608 12.907 1.00 0.00 H new ATOM 0 HA GLU A 76 4.459 -1.189 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.850 -3.381 13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.992 -4.037 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.020 -1.478 13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.479 -2.214 14.883 1.00 0.00 H new ATOM 1132 N GLU A 77 4.041 -3.812 10.245 1.00 0.00 N ATOM 1133 CA GLU A 77 4.384 -4.364 8.945 1.00 0.00 C ATOM 1134 C GLU A 77 4.079 -3.350 7.841 1.00 0.00 C ATOM 1135 O GLU A 77 4.865 -3.187 6.909 1.00 0.00 O ATOM 1136 CB GLU A 77 3.647 -5.682 8.698 1.00 0.00 C ATOM 1137 CG GLU A 77 4.334 -6.839 9.427 1.00 0.00 C ATOM 1138 CD GLU A 77 4.987 -6.359 10.725 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.229 -6.142 11.695 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.229 -6.220 10.718 1.00 0.00 O ATOM 0 H GLU A 77 3.419 -4.395 10.805 1.00 0.00 H new ATOM 0 HA GLU A 77 5.453 -4.575 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.615 -5.595 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.614 -5.890 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.605 -7.618 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.089 -7.285 8.779 1.00 0.00 H new ATOM 1147 N MET A 78 2.936 -2.694 7.983 1.00 0.00 N ATOM 1148 CA MET A 78 2.518 -1.701 7.009 1.00 0.00 C ATOM 1149 C MET A 78 3.607 -0.647 6.798 1.00 0.00 C ATOM 1150 O MET A 78 4.199 -0.568 5.722 1.00 0.00 O ATOM 1151 CB MET A 78 1.236 -1.020 7.492 1.00 0.00 C ATOM 1152 CG MET A 78 0.060 -1.348 6.571 1.00 0.00 C ATOM 1153 SD MET A 78 -0.048 -0.138 5.263 1.00 0.00 S ATOM 1154 CE MET A 78 -0.696 1.251 6.179 1.00 0.00 C ATOM 0 H MET A 78 2.287 -2.831 8.758 1.00 0.00 H new ATOM 0 HA MET A 78 2.337 -2.205 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.008 -1.344 8.508 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.385 0.059 7.528 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.187 -2.344 6.147 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.868 -1.361 7.143 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.715 1.459 5.852 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.697 1.016 7.243 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.072 2.127 6.001 1.00 0.00 H new ATOM 1164 N LYS A 79 3.840 0.135 7.842 1.00 0.00 N ATOM 1165 CA LYS A 79 4.847 1.180 7.784 1.00 0.00 C ATOM 1166 C LYS A 79 6.093 0.643 7.075 1.00 0.00 C ATOM 1167 O LYS A 79 6.747 1.369 6.328 1.00 0.00 O ATOM 1168 CB LYS A 79 5.127 1.733 9.183 1.00 0.00 C ATOM 1169 CG LYS A 79 4.261 2.961 9.471 1.00 0.00 C ATOM 1170 CD LYS A 79 4.178 3.233 10.974 1.00 0.00 C ATOM 1171 CE LYS A 79 5.511 3.755 11.512 1.00 0.00 C ATOM 1172 NZ LYS A 79 5.371 5.152 11.979 1.00 0.00 N ATOM 0 H LYS A 79 3.348 0.065 8.733 1.00 0.00 H new ATOM 0 HA LYS A 79 4.485 2.025 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.931 0.962 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.181 1.999 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.677 3.831 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.259 2.806 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.392 3.961 11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.904 2.317 11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.851 3.123 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.271 3.701 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.285 5.490 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.068 5.754 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.661 5.195 12.738 1.00 0.00 H new ATOM 1186 N ALA A 80 6.382 -0.623 7.334 1.00 0.00 N ATOM 1187 CA ALA A 80 7.537 -1.266 6.729 1.00 0.00 C ATOM 1188 C ALA A 80 7.345 -1.328 5.213 1.00 0.00 C ATOM 1189 O ALA A 80 8.177 -0.828 4.457 1.00 0.00 O ATOM 1190 CB ALA A 80 7.734 -2.650 7.349 1.00 0.00 C ATOM 0 H ALA A 80 5.837 -1.222 7.954 1.00 0.00 H new ATOM 0 HA ALA A 80 8.442 -0.690 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.600 -3.132 6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.896 -2.548 8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.847 -3.258 7.172 1.00 0.00 H new ATOM 1196 N MET A 81 6.243 -1.945 4.812 1.00 0.00 N ATOM 1197 CA MET A 81 5.932 -2.079 3.400 1.00 0.00 C ATOM 1198 C MET A 81 6.017 -0.727 2.689 1.00 0.00 C ATOM 1199 O MET A 81 6.538 -0.637 1.578 1.00 0.00 O ATOM 1200 CB MET A 81 4.522 -2.652 3.240 1.00 0.00 C ATOM 1201 CG MET A 81 4.069 -2.595 1.779 1.00 0.00 C ATOM 1202 SD MET A 81 2.397 -3.202 1.634 1.00 0.00 S ATOM 1203 CE MET A 81 1.496 -1.761 2.181 1.00 0.00 C ATOM 0 H MET A 81 5.554 -2.358 5.441 1.00 0.00 H new ATOM 0 HA MET A 81 6.661 -2.752 2.949 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.503 -3.684 3.590 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.825 -2.091 3.863 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.126 -1.570 1.412 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.737 -3.193 1.159 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.608 -1.631 1.563 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.198 -1.891 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.131 -0.880 2.093 1.00 0.00 H new ATOM 1213 N LEU A 82 5.497 0.291 3.358 1.00 0.00 N ATOM 1214 CA LEU A 82 5.508 1.635 2.805 1.00 0.00 C ATOM 1215 C LEU A 82 6.925 2.206 2.893 1.00 0.00 C ATOM 1216 O LEU A 82 7.360 2.935 2.003 1.00 0.00 O ATOM 1217 CB LEU A 82 4.450 2.504 3.487 1.00 0.00 C ATOM 1218 CG LEU A 82 3.001 2.250 3.067 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.057 2.352 4.267 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.587 3.188 1.931 1.00 0.00 C ATOM 0 H LEU A 82 5.065 0.212 4.279 1.00 0.00 H new ATOM 0 HA LEU A 82 5.237 1.615 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.526 2.356 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.686 3.550 3.291 1.00 0.00 H new ATOM 0 HG LEU A 82 2.929 1.231 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.033 2.167 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.339 1.612 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.126 3.350 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.553 2.987 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.679 4.223 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.234 3.024 1.069 1.00 0.00 H new ATOM 1232 N SER A 83 7.604 1.855 3.975 1.00 0.00 N ATOM 1233 CA SER A 83 8.962 2.324 4.191 1.00 0.00 C ATOM 1234 C SER A 83 9.867 1.849 3.052 1.00 0.00 C ATOM 1235 O SER A 83 10.801 2.550 2.663 1.00 0.00 O ATOM 1236 CB SER A 83 9.505 1.839 5.537 1.00 0.00 C ATOM 1237 OG SER A 83 9.048 2.647 6.618 1.00 0.00 O ATOM 0 H SER A 83 7.239 1.251 4.712 1.00 0.00 H new ATOM 0 HA SER A 83 8.949 3.414 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.198 0.806 5.701 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.595 1.848 5.513 1.00 0.00 H new ATOM 0 HG SER A 83 8.109 2.439 6.808 1.00 0.00 H new ATOM 1243 N TYR A 84 9.559 0.663 2.549 1.00 0.00 N ATOM 1244 CA TYR A 84 10.333 0.087 1.462 1.00 0.00 C ATOM 1245 C TYR A 84 9.942 0.710 0.120 1.00 0.00 C ATOM 1246 O TYR A 84 10.770 1.330 -0.545 1.00 0.00 O ATOM 1247 CB TYR A 84 9.984 -1.403 1.440 1.00 0.00 C ATOM 1248 CG TYR A 84 9.963 -2.016 0.039 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.114 -2.039 -0.722 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.793 -2.547 -0.465 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.095 -2.616 -2.041 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.773 -3.124 -1.784 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.925 -3.130 -2.507 1.00 0.00 C ATOM 1254 OH TYR A 84 9.906 -3.675 -3.753 1.00 0.00 O ATOM 0 H TYR A 84 8.784 0.085 2.874 1.00 0.00 H new ATOM 0 HA TYR A 84 11.398 0.265 1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.706 -1.944 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.007 -1.544 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.030 -1.624 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.892 -2.530 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.989 -2.640 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.864 -3.543 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 84 9.004 -4.003 -3.953 1.00 0.00 H new ATOM 1264 N TYR A 85 8.680 0.523 -0.238 1.00 0.00 N ATOM 1265 CA TYR A 85 8.170 1.059 -1.488 1.00 0.00 C ATOM 1266 C TYR A 85 8.787 2.426 -1.791 1.00 0.00 C ATOM 1267 O TYR A 85 9.241 2.672 -2.907 1.00 0.00 O ATOM 1268 CB TYR A 85 6.662 1.226 -1.291 1.00 0.00 C ATOM 1269 CG TYR A 85 5.916 1.674 -2.549 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.798 0.816 -3.624 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.360 2.936 -2.610 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.096 1.238 -4.808 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.658 3.357 -3.794 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.560 2.488 -4.835 1.00 0.00 C ATOM 1275 OH TYR A 85 3.897 2.886 -5.953 1.00 0.00 O ATOM 0 H TYR A 85 7.996 0.008 0.316 1.00 0.00 H new ATOM 0 HA TYR A 85 8.412 0.395 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.243 0.279 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.488 1.954 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.232 -0.172 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.452 3.608 -1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.997 0.577 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.219 4.342 -3.854 1.00 0.00 H new ATOM 0 HH TYR A 85 4.474 2.764 -6.736 1.00 0.00 H new ATOM 1285 N TYR A 86 8.783 3.279 -0.777 1.00 0.00 N ATOM 1286 CA TYR A 86 9.337 4.615 -0.922 1.00 0.00 C ATOM 1287 C TYR A 86 10.864 4.570 -0.997 1.00 0.00 C ATOM 1288 O TYR A 86 11.472 5.298 -1.781 1.00 0.00 O ATOM 1289 CB TYR A 86 8.923 5.381 0.336 1.00 0.00 C ATOM 1290 CG TYR A 86 7.409 5.487 0.530 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.576 5.562 -0.568 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.876 5.507 1.803 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.152 5.662 -0.385 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.451 5.607 1.986 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.659 5.680 0.883 1.00 0.00 C ATOM 1296 OH TYR A 86 3.313 5.774 1.055 1.00 0.00 O ATOM 0 H TYR A 86 8.405 3.071 0.147 1.00 0.00 H new ATOM 0 HA TYR A 86 8.974 5.084 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.357 4.890 1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.345 6.385 0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.993 5.546 -1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.528 5.448 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.489 5.721 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.021 5.624 2.977 1.00 0.00 H new ATOM 0 HH TYR A 86 2.856 5.341 0.304 1.00 0.00 H new ATOM 1306 N SER A 87 11.441 3.708 -0.172 1.00 0.00 N ATOM 1307 CA SER A 87 12.886 3.558 -0.136 1.00 0.00 C ATOM 1308 C SER A 87 13.396 3.070 -1.493 1.00 0.00 C ATOM 1309 O SER A 87 14.523 3.373 -1.882 1.00 0.00 O ATOM 1310 CB SER A 87 13.312 2.591 0.970 1.00 0.00 C ATOM 1311 OG SER A 87 14.720 2.370 0.973 1.00 0.00 O ATOM 0 H SER A 87 10.934 3.106 0.477 1.00 0.00 H new ATOM 0 HA SER A 87 13.325 4.532 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.005 2.989 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.796 1.640 0.839 1.00 0.00 H new ATOM 0 HG SER A 87 14.952 1.748 1.694 1.00 0.00 H new ATOM 1317 N THR A 88 12.541 2.324 -2.177 1.00 0.00 N ATOM 1318 CA THR A 88 12.891 1.791 -3.483 1.00 0.00 C ATOM 1319 C THR A 88 12.364 2.705 -4.591 1.00 0.00 C ATOM 1320 O THR A 88 13.046 2.933 -5.589 1.00 0.00 O ATOM 1321 CB THR A 88 12.354 0.361 -3.569 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.346 -0.338 -4.317 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.095 0.259 -4.433 1.00 0.00 C ATOM 0 H THR A 88 11.607 2.076 -1.852 1.00 0.00 H new ATOM 0 HA THR A 88 13.972 1.757 -3.619 1.00 0.00 H new ATOM 0 HB THR A 88 12.136 -0.006 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.079 -1.275 -4.419 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.756 -0.776 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.311 0.887 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.320 0.594 -5.445 1.00 0.00 H new ATOM 1331 N VAL A 89 11.156 3.205 -4.377 1.00 0.00 N ATOM 1332 CA VAL A 89 10.530 4.090 -5.345 1.00 0.00 C ATOM 1333 C VAL A 89 11.459 5.273 -5.623 1.00 0.00 C ATOM 1334 O VAL A 89 11.767 5.568 -6.777 1.00 0.00 O ATOM 1335 CB VAL A 89 9.149 4.518 -4.846 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.727 5.848 -5.474 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.107 3.430 -5.115 1.00 0.00 C ATOM 0 H VAL A 89 10.594 3.014 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 89 10.372 3.572 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 89 9.213 4.662 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.742 6.129 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.449 6.621 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.689 5.743 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.134 3.760 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.048 3.240 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.396 2.514 -4.600 1.00 0.00 H new ATOM 1347 N MET A 90 11.880 5.920 -4.545 1.00 0.00 N ATOM 1348 CA MET A 90 12.767 7.065 -4.659 1.00 0.00 C ATOM 1349 C MET A 90 14.011 6.715 -5.478 1.00 0.00 C ATOM 1350 O MET A 90 14.590 7.580 -6.135 1.00 0.00 O ATOM 1351 CB MET A 90 13.189 7.524 -3.261 1.00 0.00 C ATOM 1352 CG MET A 90 14.371 6.701 -2.747 1.00 0.00 C ATOM 1353 SD MET A 90 15.907 7.441 -3.277 1.00 0.00 S ATOM 1354 CE MET A 90 16.478 8.115 -1.727 1.00 0.00 C ATOM 0 H MET A 90 11.623 5.673 -3.589 1.00 0.00 H new ATOM 0 HA MET A 90 12.232 7.866 -5.169 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.460 8.579 -3.287 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.348 7.428 -2.574 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.341 6.646 -1.659 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.303 5.679 -3.120 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.434 8.616 -1.878 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.748 8.832 -1.351 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.601 7.309 -1.003 1.00 0.00 H new ATOM 1364 N GLU A 91 14.386 5.446 -5.413 1.00 0.00 N ATOM 1365 CA GLU A 91 15.551 4.972 -6.141 1.00 0.00 C ATOM 1366 C GLU A 91 15.230 4.845 -7.631 1.00 0.00 C ATOM 1367 O GLU A 91 16.094 5.072 -8.477 1.00 0.00 O ATOM 1368 CB GLU A 91 16.049 3.642 -5.572 1.00 0.00 C ATOM 1369 CG GLU A 91 17.005 3.870 -4.400 1.00 0.00 C ATOM 1370 CD GLU A 91 18.425 4.150 -4.897 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.751 3.649 -5.995 1.00 0.00 O ATOM 1372 OE2 GLU A 91 19.152 4.859 -4.168 1.00 0.00 O ATOM 0 H GLU A 91 13.904 4.732 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 91 16.351 5.703 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.200 3.043 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.555 3.075 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.655 4.708 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.009 2.993 -3.753 1.00 0.00 H new ATOM 1379 N GLN A 92 13.986 4.483 -7.907 1.00 0.00 N ATOM 1380 CA GLN A 92 13.541 4.323 -9.281 1.00 0.00 C ATOM 1381 C GLN A 92 13.492 5.681 -9.985 1.00 0.00 C ATOM 1382 O GLN A 92 13.502 5.748 -11.213 1.00 0.00 O ATOM 1383 CB GLN A 92 12.179 3.627 -9.339 1.00 0.00 C ATOM 1384 CG GLN A 92 12.319 2.127 -9.067 1.00 0.00 C ATOM 1385 CD GLN A 92 11.327 1.323 -9.910 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.642 0.821 -10.976 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.113 1.230 -9.375 1.00 0.00 N ATOM 0 H GLN A 92 13.272 4.296 -7.203 1.00 0.00 H new ATOM 0 HA GLN A 92 14.259 3.690 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.507 4.072 -8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.728 3.782 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.336 1.806 -9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.148 1.928 -8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.915 1.674 -8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.379 0.714 -9.861 1.00 0.00 H new ATOM 1396 N GLN A 93 13.440 6.729 -9.176 1.00 0.00 N ATOM 1397 CA GLN A 93 13.390 8.081 -9.706 1.00 0.00 C ATOM 1398 C GLN A 93 14.804 8.594 -9.987 1.00 0.00 C ATOM 1399 O GLN A 93 15.069 9.139 -11.057 1.00 0.00 O ATOM 1400 CB GLN A 93 12.648 9.017 -8.750 1.00 0.00 C ATOM 1401 CG GLN A 93 11.214 8.538 -8.516 1.00 0.00 C ATOM 1402 CD GLN A 93 10.226 9.702 -8.603 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.393 10.636 -9.370 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.189 9.594 -7.777 1.00 0.00 N ATOM 0 H GLN A 93 13.431 6.669 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 93 12.838 8.062 -10.646 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.178 9.066 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.635 10.027 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.955 7.780 -9.255 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.140 8.066 -7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.110 8.785 -7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.473 10.320 -7.760 1.00 0.00 H new ATOM 1413 N VAL A 94 15.676 8.400 -9.008 1.00 0.00 N ATOM 1414 CA VAL A 94 17.056 8.836 -9.137 1.00 0.00 C ATOM 1415 C VAL A 94 17.705 8.115 -10.320 1.00 0.00 C ATOM 1416 O VAL A 94 18.616 8.647 -10.952 1.00 0.00 O ATOM 1417 CB VAL A 94 17.800 8.612 -7.819 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.927 8.998 -6.624 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.284 7.166 -7.701 1.00 0.00 C ATOM 0 H VAL A 94 15.453 7.947 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 94 17.102 9.905 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 94 18.677 9.259 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.480 8.829 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.655 10.051 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.023 8.389 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.809 7.034 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.428 6.492 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.960 6.940 -8.526 1.00 0.00 H new ATOM 1429 N ASN A 95 17.210 6.914 -10.585 1.00 0.00 N ATOM 1430 CA ASN A 95 17.731 6.115 -11.681 1.00 0.00 C ATOM 1431 C ASN A 95 17.161 6.636 -13.002 1.00 0.00 C ATOM 1432 O ASN A 95 17.911 7.013 -13.900 1.00 0.00 O ATOM 1433 CB ASN A 95 17.322 4.648 -11.535 1.00 0.00 C ATOM 1434 CG ASN A 95 18.528 3.776 -11.179 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.979 2.949 -11.954 1.00 0.00 O ATOM 1436 ND2 ASN A 95 19.023 4.006 -9.966 1.00 0.00 N ATOM 0 H ASN A 95 16.454 6.475 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 95 18.818 6.190 -11.666 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.560 4.554 -10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.876 4.296 -12.466 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.828 3.475 -9.635 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.597 4.714 -9.367 1.00 0.00 H new ATOM 1443 N GLY A 96 15.838 6.640 -13.078 1.00 0.00 N ATOM 1444 CA GLY A 96 15.159 7.108 -14.274 1.00 0.00 C ATOM 1445 C GLY A 96 13.859 6.334 -14.505 1.00 0.00 C ATOM 1446 O GLY A 96 12.802 6.932 -14.696 1.00 0.00 O ATOM 0 H GLY A 96 15.219 6.327 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.941 8.172 -14.180 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.814 6.992 -15.137 1.00 0.00 H new ATOM 1450 N GLN A 97 13.982 5.015 -14.480 1.00 0.00 N ATOM 1451 CA GLN A 97 12.831 4.152 -14.684 1.00 0.00 C ATOM 1452 C GLN A 97 11.596 4.743 -14.000 1.00 0.00 C ATOM 1453 O GLN A 97 11.715 5.451 -13.001 1.00 0.00 O ATOM 1454 CB GLN A 97 13.111 2.735 -14.181 1.00 0.00 C ATOM 1455 CG GLN A 97 13.702 2.761 -12.770 1.00 0.00 C ATOM 1456 CD GLN A 97 14.426 1.451 -12.454 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.167 0.412 -13.039 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.346 1.557 -11.499 1.00 0.00 N ATOM 0 H GLN A 97 14.861 4.523 -14.322 1.00 0.00 H new ATOM 0 HA GLN A 97 12.634 4.089 -15.754 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.188 2.156 -14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.802 2.234 -14.859 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.397 3.596 -12.678 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.908 2.926 -12.042 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.513 2.457 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.884 0.738 -11.216 1.00 0.00 H new ATOM 1467 N LEU A 98 10.439 4.430 -14.564 1.00 0.00 N ATOM 1468 CA LEU A 98 9.184 4.921 -14.021 1.00 0.00 C ATOM 1469 C LEU A 98 8.866 4.170 -12.726 1.00 0.00 C ATOM 1470 O LEU A 98 9.291 3.030 -12.545 1.00 0.00 O ATOM 1471 CB LEU A 98 8.075 4.834 -15.071 1.00 0.00 C ATOM 1472 CG LEU A 98 7.958 6.027 -16.023 1.00 0.00 C ATOM 1473 CD1 LEU A 98 7.253 5.626 -17.320 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.270 7.209 -15.338 1.00 0.00 C ATOM 0 H LEU A 98 10.344 3.842 -15.392 1.00 0.00 H new ATOM 0 HA LEU A 98 9.266 5.977 -13.766 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.234 3.934 -15.665 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.123 4.711 -14.556 1.00 0.00 H new ATOM 0 HG LEU A 98 8.964 6.351 -16.290 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.183 6.492 -17.979 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.822 4.839 -17.815 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.251 5.262 -17.092 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.200 8.043 -16.036 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.269 6.914 -15.022 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.850 7.513 -14.467 1.00 0.00 H new ATOM 1486 N ILE A 99 8.120 4.840 -11.860 1.00 0.00 N ATOM 1487 CA ILE A 99 7.739 4.250 -10.587 1.00 0.00 C ATOM 1488 C ILE A 99 6.631 3.221 -10.819 1.00 0.00 C ATOM 1489 O ILE A 99 5.783 3.402 -11.691 1.00 0.00 O ATOM 1490 CB ILE A 99 7.365 5.340 -9.582 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.492 6.366 -9.440 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.972 4.732 -8.234 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.780 5.701 -8.949 1.00 0.00 C ATOM 0 H ILE A 99 7.769 5.785 -12.014 1.00 0.00 H new ATOM 0 HA ILE A 99 8.582 3.718 -10.146 1.00 0.00 H new ATOM 0 HB ILE A 99 6.492 5.870 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.671 6.850 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.192 7.147 -8.741 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.711 5.529 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.115 4.072 -8.368 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.810 4.161 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.565 6.452 -8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.604 5.239 -7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.090 4.938 -9.663 1.00 0.00 H new ATOM 1505 N GLU A 100 6.675 2.163 -10.022 1.00 0.00 N ATOM 1506 CA GLU A 100 5.685 1.104 -10.129 1.00 0.00 C ATOM 1507 C GLU A 100 4.711 1.168 -8.951 1.00 0.00 C ATOM 1508 O GLU A 100 5.071 1.624 -7.867 1.00 0.00 O ATOM 1509 CB GLU A 100 6.356 -0.268 -10.212 1.00 0.00 C ATOM 1510 CG GLU A 100 6.819 -0.736 -8.831 1.00 0.00 C ATOM 1511 CD GLU A 100 8.103 -1.563 -8.935 1.00 0.00 C ATOM 1512 OE1 GLU A 100 8.068 -2.574 -9.668 1.00 0.00 O ATOM 1513 OE2 GLU A 100 9.089 -1.165 -8.278 1.00 0.00 O ATOM 0 H GLU A 100 7.380 2.016 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 100 5.121 1.252 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.658 -0.993 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.209 -0.219 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.989 0.128 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.035 -1.332 -8.363 1.00 0.00 H new ATOM 1520 N PRO A 101 3.464 0.690 -9.210 1.00 0.00 N ATOM 1521 CA PRO A 101 2.435 0.688 -8.183 1.00 0.00 C ATOM 1522 C PRO A 101 2.685 -0.420 -7.159 1.00 0.00 C ATOM 1523 O PRO A 101 3.057 -1.535 -7.524 1.00 0.00 O ATOM 1524 CB PRO A 101 1.127 0.517 -8.938 1.00 0.00 C ATOM 1525 CG PRO A 101 1.503 -0.035 -10.304 1.00 0.00 C ATOM 1526 CD PRO A 101 3.002 0.142 -10.481 1.00 0.00 C ATOM 0 HA PRO A 101 2.423 1.607 -7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.459 -0.165 -8.412 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.603 1.468 -9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.231 -1.088 -10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.961 0.490 -11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.489 -0.807 -10.703 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.226 0.816 -11.308 1.00 0.00 H new ATOM 1534 N LEU A 102 2.469 -0.077 -5.898 1.00 0.00 N ATOM 1535 CA LEU A 102 2.666 -1.029 -4.818 1.00 0.00 C ATOM 1536 C LEU A 102 1.906 -2.318 -5.137 1.00 0.00 C ATOM 1537 O LEU A 102 0.726 -2.443 -4.814 1.00 0.00 O ATOM 1538 CB LEU A 102 2.281 -0.404 -3.476 1.00 0.00 C ATOM 1539 CG LEU A 102 2.476 -1.290 -2.243 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.909 -1.822 -2.172 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.076 -0.548 -0.966 1.00 0.00 C ATOM 0 H LEU A 102 2.159 0.848 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 102 3.720 -1.293 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.865 0.506 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.233 -0.107 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 102 1.816 -2.153 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.021 -2.448 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.123 -2.412 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.605 -0.985 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.224 -1.200 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.692 0.345 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.027 -0.259 -1.026 1.00 0.00 H new ATOM 1553 N GLN A 103 2.614 -3.245 -5.766 1.00 0.00 N ATOM 1554 CA GLN A 103 2.022 -4.520 -6.132 1.00 0.00 C ATOM 1555 C GLN A 103 1.753 -5.358 -4.880 1.00 0.00 C ATOM 1556 O GLN A 103 2.608 -6.130 -4.450 1.00 0.00 O ATOM 1557 CB GLN A 103 2.914 -5.277 -7.117 1.00 0.00 C ATOM 1558 CG GLN A 103 2.124 -6.366 -7.847 1.00 0.00 C ATOM 1559 CD GLN A 103 2.946 -6.967 -8.989 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.654 -6.280 -9.707 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.814 -8.284 -9.116 1.00 0.00 N ATOM 0 H GLN A 103 3.593 -3.138 -6.031 1.00 0.00 H new ATOM 0 HA GLN A 103 1.071 -4.328 -6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.335 -4.580 -7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.752 -5.726 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.844 -7.150 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.199 -5.946 -8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.204 -8.799 -8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.322 -8.779 -9.849 1.00 0.00 H new ATOM 1570 N ILE A 104 0.560 -5.178 -4.331 1.00 0.00 N ATOM 1571 CA ILE A 104 0.168 -5.909 -3.138 1.00 0.00 C ATOM 1572 C ILE A 104 -0.740 -7.075 -3.535 1.00 0.00 C ATOM 1573 O ILE A 104 -0.917 -7.354 -4.720 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.460 -4.962 -2.113 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.562 -4.115 -2.751 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.608 -4.099 -1.438 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.651 -3.773 -1.732 1.00 0.00 C ATOM 0 H ILE A 104 -0.147 -4.537 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 104 1.042 -6.338 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.928 -5.564 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.133 -3.197 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.001 -4.655 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.135 -3.435 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.325 -4.741 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.125 -3.505 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.422 -3.170 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.094 -4.693 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.213 -3.212 -0.906 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.291 -7.725 -2.521 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.176 -8.855 -2.748 1.00 0.00 C ATOM 1591 C PHE A 105 -3.113 -9.066 -1.558 1.00 0.00 C ATOM 1592 O PHE A 105 -2.660 -9.187 -0.420 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.290 -10.092 -2.911 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.202 -9.942 -3.976 1.00 0.00 C ATOM 1595 CD1 PHE A 105 -0.488 -10.200 -5.281 1.00 0.00 C ATOM 1596 CD2 PHE A 105 1.050 -9.552 -3.619 1.00 0.00 C ATOM 1597 CE1 PHE A 105 0.521 -10.062 -6.270 1.00 0.00 C ATOM 1598 CE2 PHE A 105 2.060 -9.413 -4.608 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.774 -9.671 -5.912 1.00 0.00 C ATOM 0 H PHE A 105 -1.142 -7.491 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.789 -8.675 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.819 -10.317 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.918 -10.945 -3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.483 -10.510 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.277 -9.348 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.294 -10.267 -7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.055 -9.103 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.542 -9.565 -6.664 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.437 -9.106 -1.868 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.442 -9.301 -0.836 1.00 0.00 C ATOM 1611 C PRO A 106 -5.472 -10.757 -0.369 1.00 0.00 C ATOM 1612 O PRO A 106 -6.070 -11.611 -1.022 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.748 -8.853 -1.471 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.508 -8.865 -2.972 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.010 -8.967 -3.204 1.00 0.00 C ATOM 0 HA PRO A 106 -5.236 -8.727 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.564 -9.523 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.027 -7.857 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.024 -9.707 -3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.904 -7.958 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.764 -9.824 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.626 -8.081 -3.709 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.820 -10.997 0.759 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.765 -12.335 1.322 1.00 0.00 C ATOM 1625 C ARG A 107 -6.138 -13.004 1.237 1.00 0.00 C ATOM 1626 O ARG A 107 -6.299 -14.016 0.557 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.311 -12.300 2.783 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.807 -12.039 2.885 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.117 -13.126 3.710 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.458 -12.969 5.142 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.191 -13.884 6.083 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -1.577 -15.028 5.750 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -2.538 -13.656 7.357 1.00 0.00 N ATOM 0 H ARG A 107 -4.325 -10.287 1.299 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.042 -12.909 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.856 -11.522 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.553 -13.247 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.372 -12.004 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.633 -11.065 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.426 -14.111 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.037 -13.065 3.576 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.926 -12.110 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.313 -15.202 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.374 -15.725 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.006 -12.786 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.335 -14.353 8.074 1.00 0.00 H new ATOM 1647 N SER A 108 -7.094 -12.410 1.938 1.00 0.00 N ATOM 1648 CA SER A 108 -8.449 -12.936 1.950 1.00 0.00 C ATOM 1649 C SER A 108 -8.471 -14.309 2.624 1.00 0.00 C ATOM 1650 O SER A 108 -7.498 -15.059 2.546 1.00 0.00 O ATOM 1651 CB SER A 108 -9.015 -13.031 0.532 1.00 0.00 C ATOM 1652 OG SER A 108 -10.395 -13.388 0.531 1.00 0.00 O ATOM 0 H SER A 108 -6.957 -11.571 2.501 1.00 0.00 H new ATOM 0 HA SER A 108 -9.078 -12.250 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.888 -12.074 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.449 -13.770 -0.036 1.00 0.00 H new ATOM 0 HG SER A 108 -10.907 -12.715 1.025 1.00 0.00 H new ATOM 1658 N GLY A 109 -9.591 -14.598 3.269 1.00 0.00 N ATOM 1659 CA GLY A 109 -9.753 -15.869 3.956 1.00 0.00 C ATOM 1660 C GLY A 109 -11.116 -15.949 4.646 1.00 0.00 C ATOM 1661 O GLY A 109 -11.723 -14.924 4.951 1.00 0.00 O ATOM 0 H GLY A 109 -10.396 -13.974 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.654 -16.687 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.960 -15.991 4.694 1.00 0.00 H new ATOM 1665 N PRO A 110 -11.569 -17.210 4.879 1.00 0.00 N ATOM 1666 CA PRO A 110 -12.849 -17.438 5.527 1.00 0.00 C ATOM 1667 C PRO A 110 -12.761 -17.156 7.028 1.00 0.00 C ATOM 1668 O PRO A 110 -12.780 -18.080 7.840 1.00 0.00 O ATOM 1669 CB PRO A 110 -13.197 -18.884 5.214 1.00 0.00 C ATOM 1670 CG PRO A 110 -11.893 -19.546 4.801 1.00 0.00 C ATOM 1671 CD PRO A 110 -10.877 -18.448 4.531 1.00 0.00 C ATOM 0 HA PRO A 110 -13.629 -16.768 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.628 -19.379 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.936 -18.944 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.537 -20.211 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.040 -20.157 3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.979 -18.583 5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.563 -18.447 3.487 1.00 0.00 H new ATOM 1679 N SER A 111 -12.667 -15.874 7.352 1.00 0.00 N ATOM 1680 CA SER A 111 -12.576 -15.459 8.742 1.00 0.00 C ATOM 1681 C SER A 111 -13.771 -14.574 9.102 1.00 0.00 C ATOM 1682 O SER A 111 -14.514 -14.140 8.224 1.00 0.00 O ATOM 1683 CB SER A 111 -11.265 -14.716 9.010 1.00 0.00 C ATOM 1684 OG SER A 111 -10.129 -15.554 8.820 1.00 0.00 O ATOM 0 H SER A 111 -12.652 -15.110 6.676 1.00 0.00 H new ATOM 0 HA SER A 111 -12.591 -16.351 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.195 -13.854 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.267 -14.334 10.031 1.00 0.00 H new ATOM 0 HG SER A 111 -9.312 -15.043 8.999 1.00 0.00 H new ATOM 1690 N SER A 112 -13.918 -14.332 10.397 1.00 0.00 N ATOM 1691 CA SER A 112 -15.010 -13.507 10.885 1.00 0.00 C ATOM 1692 C SER A 112 -16.328 -14.280 10.802 1.00 0.00 C ATOM 1693 O SER A 112 -16.864 -14.710 11.822 1.00 0.00 O ATOM 1694 CB SER A 112 -15.110 -12.201 10.093 1.00 0.00 C ATOM 1695 OG SER A 112 -14.902 -11.059 10.919 1.00 0.00 O ATOM 0 H SER A 112 -13.299 -14.693 11.123 1.00 0.00 H new ATOM 0 HA SER A 112 -14.809 -13.255 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.373 -12.207 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.092 -12.135 9.624 1.00 0.00 H new ATOM 0 HG SER A 112 -14.972 -10.246 10.377 1.00 0.00 H new ATOM 1701 N GLY A 113 -16.811 -14.433 9.578 1.00 0.00 N ATOM 1702 CA GLY A 113 -18.056 -15.146 9.349 1.00 0.00 C ATOM 1703 C GLY A 113 -19.109 -14.227 8.727 1.00 0.00 C ATOM 1704 O GLY A 113 -20.145 -13.963 9.336 1.00 0.00 O ATOM 0 H GLY A 113 -16.363 -14.075 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -17.876 -15.996 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -18.429 -15.546 10.292 1.00 0.00 H new TER 1708 GLY A 113