USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 ASN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.7!) USER MOD Single : A 26 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.047) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00343 USER MOD Single : A 33 ASN : amide:sc= -11.3! C(o=-11!,f=-21!) USER MOD Single : A 36 SER OG : rot -112:sc= 1.87 USER MOD Single : A 37 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.63) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 103:sc= -0.394! USER MOD Single : A 42 SER OG : rot -150:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00755 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00879 X(o=-0.0088,f=-0.17) USER MOD Single : A 56 SER OG : rot -77:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ -134:sc= -0.337 (180deg=-0.964) USER MOD Single : A 60 TYR OH : rot 165:sc= -0.117 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 69 THR OG1 : rot 2:sc= -1.13! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 84 HIS : no HD1:sc= -0.022 K(o=-0.022,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.0366 (180deg=-0.209) USER MOD Single : A 92 TYR OH : rot 9:sc= 0.00465 USER MOD Single : A 93 THR OG1 : rot 70:sc= 0.972 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 100 TYR OH : rot -32:sc= 0.288 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.335 K(o=-0.33,f=0.27) USER MOD Single : A 107 GLN : amide:sc= -0.0287 X(o=-0.029,f=-0.47) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 62:sc= 1.11! USER MOD Single : A 114 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.175) USER MOD Single : A 116 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -14.970 1.753 16.491 1.00 0.00 N ATOM 8 CA ALA A 10 -13.493 1.918 16.599 1.00 0.00 C ATOM 9 C ALA A 10 -12.801 0.953 15.634 1.00 0.00 C ATOM 10 O ALA A 10 -13.329 -0.095 15.322 1.00 0.00 O ATOM 11 CB ALA A 10 -13.046 1.616 18.032 1.00 0.00 C ATOM 0 HA ALA A 10 -13.223 2.943 16.345 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.966 1.737 18.109 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.538 2.304 18.719 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.316 0.592 18.289 1.00 0.00 H new ATOM 17 N PRO A 11 -11.636 1.342 15.191 1.00 0.00 N ATOM 18 CA PRO A 11 -10.808 0.543 14.242 1.00 0.00 C ATOM 19 C PRO A 11 -10.021 -0.539 14.992 1.00 0.00 C ATOM 20 O PRO A 11 -9.477 -0.305 16.052 1.00 0.00 O ATOM 21 CB PRO A 11 -9.872 1.584 13.644 1.00 0.00 C ATOM 22 CG PRO A 11 -9.774 2.730 14.648 1.00 0.00 C ATOM 23 CD PRO A 11 -10.988 2.634 15.578 1.00 0.00 C ATOM 0 HA PRO A 11 -11.396 0.016 13.491 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.889 1.154 13.454 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.254 1.941 12.688 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.848 2.661 15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.761 3.691 14.133 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.689 2.633 16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.665 3.477 15.440 1.00 0.00 H new ATOM 31 N VAL A 12 -9.958 -1.716 14.439 1.00 0.00 N ATOM 32 CA VAL A 12 -9.210 -2.825 15.097 1.00 0.00 C ATOM 33 C VAL A 12 -8.084 -3.256 14.154 1.00 0.00 C ATOM 34 O VAL A 12 -8.030 -2.802 13.035 1.00 0.00 O ATOM 35 CB VAL A 12 -10.178 -3.987 15.342 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.446 -3.456 16.017 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.549 -4.633 14.006 1.00 0.00 C ATOM 0 H VAL A 12 -10.396 -1.961 13.551 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.787 -2.510 16.051 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.702 -4.728 15.985 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.137 -4.280 16.193 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.185 -2.992 16.968 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.920 -2.717 15.371 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.238 -5.460 14.180 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.026 -3.893 13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.648 -5.008 13.520 1.00 0.00 H new ATOM 47 N PRO A 13 -7.213 -4.114 14.618 1.00 0.00 N ATOM 48 CA PRO A 13 -6.071 -4.614 13.801 1.00 0.00 C ATOM 49 C PRO A 13 -6.555 -5.690 12.823 1.00 0.00 C ATOM 50 O PRO A 13 -7.661 -6.182 12.929 1.00 0.00 O ATOM 51 CB PRO A 13 -5.116 -5.181 14.843 1.00 0.00 C ATOM 52 CG PRO A 13 -5.948 -5.518 16.075 1.00 0.00 C ATOM 53 CD PRO A 13 -7.243 -4.699 15.997 1.00 0.00 C ATOM 0 HA PRO A 13 -5.600 -3.848 13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.614 -6.070 14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.339 -4.457 15.089 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.171 -6.585 16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.398 -5.280 16.986 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.122 -5.326 16.147 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.272 -3.922 16.761 1.00 0.00 H new ATOM 61 N VAL A 14 -5.746 -6.050 11.865 1.00 0.00 N ATOM 62 CA VAL A 14 -6.177 -7.078 10.879 1.00 0.00 C ATOM 63 C VAL A 14 -5.497 -8.415 11.184 1.00 0.00 C ATOM 64 O VAL A 14 -4.323 -8.474 11.489 1.00 0.00 O ATOM 65 CB VAL A 14 -5.794 -6.628 9.478 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.663 -7.357 8.450 1.00 0.00 C ATOM 67 CG2 VAL A 14 -5.983 -5.112 9.328 1.00 0.00 C ATOM 0 H VAL A 14 -4.807 -5.677 11.723 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.258 -7.202 10.944 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.744 -6.868 9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.388 -7.034 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.509 -8.432 8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.713 -7.125 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.704 -4.809 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.027 -4.856 9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.352 -4.594 10.050 1.00 0.00 H new ATOM 77 N ASP A 15 -6.234 -9.488 11.093 1.00 0.00 N ATOM 78 CA ASP A 15 -5.648 -10.828 11.367 1.00 0.00 C ATOM 79 C ASP A 15 -5.214 -11.465 10.044 1.00 0.00 C ATOM 80 O ASP A 15 -5.941 -11.450 9.072 1.00 0.00 O ATOM 81 CB ASP A 15 -6.706 -11.713 12.042 1.00 0.00 C ATOM 82 CG ASP A 15 -8.060 -11.496 11.361 1.00 0.00 C ATOM 83 OD1 ASP A 15 -8.340 -12.197 10.404 1.00 0.00 O ATOM 84 OD2 ASP A 15 -8.793 -10.630 11.811 1.00 0.00 O ATOM 0 H ASP A 15 -7.222 -9.493 10.839 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.784 -10.729 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.416 -12.762 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.777 -11.470 13.102 1.00 0.00 H new ATOM 89 N GLU A 16 -4.037 -12.025 9.994 1.00 0.00 N ATOM 90 CA GLU A 16 -3.572 -12.656 8.728 1.00 0.00 C ATOM 91 C GLU A 16 -3.795 -14.170 8.799 1.00 0.00 C ATOM 92 O GLU A 16 -3.093 -14.939 8.175 1.00 0.00 O ATOM 93 CB GLU A 16 -2.082 -12.361 8.518 1.00 0.00 C ATOM 94 CG GLU A 16 -1.757 -12.409 7.024 1.00 0.00 C ATOM 95 CD GLU A 16 -0.247 -12.559 6.836 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.487 -11.925 7.576 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.150 -13.306 5.957 1.00 0.00 O ATOM 0 H GLU A 16 -3.379 -12.073 10.772 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.138 -12.246 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.834 -11.380 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.477 -13.091 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.278 -13.244 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.107 -11.500 6.535 1.00 0.00 H new ATOM 104 N ASN A 17 -4.771 -14.607 9.554 1.00 0.00 N ATOM 105 CA ASN A 17 -5.038 -16.060 9.660 1.00 0.00 C ATOM 106 C ASN A 17 -6.045 -16.473 8.584 1.00 0.00 C ATOM 107 O ASN A 17 -6.473 -17.610 8.524 1.00 0.00 O ATOM 108 CB ASN A 17 -5.615 -16.346 11.043 1.00 0.00 C ATOM 109 CG ASN A 17 -4.753 -15.662 12.106 1.00 0.00 C ATOM 110 OD1 ASN A 17 -5.268 -15.020 13.000 1.00 0.00 O ATOM 111 ND2 ASN A 17 -3.453 -15.772 12.047 1.00 0.00 N ATOM 0 H ASN A 17 -5.393 -14.012 10.101 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.116 -16.624 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.641 -15.983 11.103 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.646 -17.421 11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.870 -15.319 12.751 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.020 -16.311 11.297 1.00 0.00 H new ATOM 118 N ASP A 18 -6.428 -15.559 7.734 1.00 0.00 N ATOM 119 CA ASP A 18 -7.408 -15.898 6.665 1.00 0.00 C ATOM 120 C ASP A 18 -6.752 -15.716 5.293 1.00 0.00 C ATOM 121 O ASP A 18 -6.203 -14.677 4.989 1.00 0.00 O ATOM 122 CB ASP A 18 -8.620 -14.971 6.774 1.00 0.00 C ATOM 123 CG ASP A 18 -9.613 -15.299 5.656 1.00 0.00 C ATOM 124 OD1 ASP A 18 -9.656 -16.446 5.247 1.00 0.00 O ATOM 125 OD2 ASP A 18 -10.313 -14.394 5.230 1.00 0.00 O ATOM 0 H ASP A 18 -6.104 -14.592 7.734 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.728 -16.934 6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.097 -15.091 7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.304 -13.930 6.701 1.00 0.00 H new ATOM 130 N GLU A 19 -6.803 -16.723 4.465 1.00 0.00 N ATOM 131 CA GLU A 19 -6.178 -16.609 3.110 1.00 0.00 C ATOM 132 C GLU A 19 -7.048 -15.710 2.211 1.00 0.00 C ATOM 133 O GLU A 19 -6.622 -15.284 1.156 1.00 0.00 O ATOM 134 CB GLU A 19 -6.027 -18.024 2.505 1.00 0.00 C ATOM 135 CG GLU A 19 -6.268 -18.004 0.995 1.00 0.00 C ATOM 136 CD GLU A 19 -5.159 -17.208 0.305 1.00 0.00 C ATOM 137 OE1 GLU A 19 -4.012 -17.374 0.684 1.00 0.00 O ATOM 138 OE2 GLU A 19 -5.477 -16.444 -0.592 1.00 0.00 O ATOM 0 H GLU A 19 -7.248 -17.619 4.664 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.191 -16.154 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.028 -18.407 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.734 -18.704 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.292 -19.023 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.238 -17.557 0.778 1.00 0.00 H new ATOM 145 N GLY A 20 -8.259 -15.418 2.607 1.00 0.00 N ATOM 146 CA GLY A 20 -9.129 -14.554 1.758 1.00 0.00 C ATOM 147 C GLY A 20 -8.596 -13.117 1.753 1.00 0.00 C ATOM 148 O GLY A 20 -8.818 -12.368 0.823 1.00 0.00 O ATOM 0 H GLY A 20 -8.681 -15.739 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.159 -14.943 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.151 -14.570 2.136 1.00 0.00 H new ATOM 152 N LEU A 21 -7.905 -12.720 2.787 1.00 0.00 N ATOM 153 CA LEU A 21 -7.374 -11.325 2.839 1.00 0.00 C ATOM 154 C LEU A 21 -6.152 -11.184 1.920 1.00 0.00 C ATOM 155 O LEU A 21 -5.782 -10.091 1.537 1.00 0.00 O ATOM 156 CB LEU A 21 -6.973 -10.992 4.280 1.00 0.00 C ATOM 157 CG LEU A 21 -6.525 -9.527 4.381 1.00 0.00 C ATOM 158 CD1 LEU A 21 -5.079 -9.402 3.900 1.00 0.00 C ATOM 159 CD2 LEU A 21 -7.429 -8.639 3.519 1.00 0.00 C ATOM 0 H LEU A 21 -7.685 -13.299 3.597 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.148 -10.636 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.815 -11.169 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.166 -11.650 4.602 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.596 -9.204 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.760 -8.362 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.434 -10.023 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.011 -9.732 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.102 -7.602 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.370 -8.960 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.459 -8.722 3.866 1.00 0.00 H new ATOM 171 N GLN A 22 -5.515 -12.268 1.565 1.00 0.00 N ATOM 172 CA GLN A 22 -4.324 -12.175 0.689 1.00 0.00 C ATOM 173 C GLN A 22 -4.730 -11.730 -0.719 1.00 0.00 C ATOM 174 O GLN A 22 -3.896 -11.372 -1.527 1.00 0.00 O ATOM 175 CB GLN A 22 -3.620 -13.531 0.645 1.00 0.00 C ATOM 176 CG GLN A 22 -2.144 -13.308 0.351 1.00 0.00 C ATOM 177 CD GLN A 22 -1.442 -14.655 0.181 1.00 0.00 C ATOM 178 OE1 GLN A 22 -2.071 -15.693 0.237 1.00 0.00 O ATOM 179 NE2 GLN A 22 -0.154 -14.684 -0.024 1.00 0.00 N ATOM 0 H GLN A 22 -5.773 -13.213 1.848 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.637 -11.431 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.741 -14.050 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.066 -14.163 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.030 -12.711 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.682 -12.747 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.375 -13.813 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.324 -15.578 -0.137 1.00 0.00 H new ATOM 188 N ARG A 23 -6.001 -11.743 -1.022 1.00 0.00 N ATOM 189 CA ARG A 23 -6.443 -11.310 -2.381 1.00 0.00 C ATOM 190 C ARG A 23 -6.516 -9.784 -2.422 1.00 0.00 C ATOM 191 O ARG A 23 -5.990 -9.151 -3.316 1.00 0.00 O ATOM 192 CB ARG A 23 -7.823 -11.900 -2.682 1.00 0.00 C ATOM 193 CG ARG A 23 -8.307 -11.406 -4.047 1.00 0.00 C ATOM 194 CD ARG A 23 -9.246 -12.446 -4.663 1.00 0.00 C ATOM 195 NE ARG A 23 -9.010 -12.523 -6.132 1.00 0.00 N ATOM 196 CZ ARG A 23 -9.098 -13.672 -6.749 1.00 0.00 C ATOM 197 NH1 ARG A 23 -10.228 -14.326 -6.754 1.00 0.00 N ATOM 198 NH2 ARG A 23 -8.056 -14.167 -7.356 1.00 0.00 N ATOM 0 H ARG A 23 -6.749 -12.033 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.732 -11.662 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.773 -12.989 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.531 -11.608 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.824 -10.453 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.456 -11.233 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.076 -13.421 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.284 -12.177 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.780 -11.679 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.043 -13.940 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.296 -15.223 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.172 -13.658 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.124 -15.064 -7.838 1.00 0.00 H new ATOM 212 N ALA A 24 -7.151 -9.186 -1.453 1.00 0.00 N ATOM 213 CA ALA A 24 -7.246 -7.704 -1.428 1.00 0.00 C ATOM 214 C ALA A 24 -5.837 -7.107 -1.520 1.00 0.00 C ATOM 215 O ALA A 24 -5.663 -5.948 -1.841 1.00 0.00 O ATOM 216 CB ALA A 24 -7.899 -7.260 -0.117 1.00 0.00 C ATOM 0 H ALA A 24 -7.609 -9.663 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.847 -7.360 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.970 -6.173 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.898 -7.690 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.295 -7.601 0.724 1.00 0.00 H new ATOM 222 N LEU A 25 -4.827 -7.892 -1.233 1.00 0.00 N ATOM 223 CA LEU A 25 -3.438 -7.387 -1.293 1.00 0.00 C ATOM 224 C LEU A 25 -3.038 -7.171 -2.761 1.00 0.00 C ATOM 225 O LEU A 25 -2.439 -6.172 -3.106 1.00 0.00 O ATOM 226 CB LEU A 25 -2.530 -8.423 -0.601 1.00 0.00 C ATOM 227 CG LEU A 25 -1.105 -8.368 -1.152 1.00 0.00 C ATOM 228 CD1 LEU A 25 -1.083 -9.104 -2.488 1.00 0.00 C ATOM 229 CD2 LEU A 25 -0.666 -6.912 -1.342 1.00 0.00 C ATOM 0 H LEU A 25 -4.916 -8.870 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.340 -6.429 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.514 -8.237 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.940 -9.423 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.415 -8.840 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.075 -9.078 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.387 -10.140 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.772 -8.621 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.350 -6.887 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.338 -6.418 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.697 -6.394 -0.383 1.00 0.00 H new ATOM 241 N GLN A 26 -3.365 -8.094 -3.626 1.00 0.00 N ATOM 242 CA GLN A 26 -3.001 -7.927 -5.066 1.00 0.00 C ATOM 243 C GLN A 26 -3.656 -6.644 -5.595 1.00 0.00 C ATOM 244 O GLN A 26 -3.153 -6.000 -6.494 1.00 0.00 O ATOM 245 CB GLN A 26 -3.523 -9.146 -5.874 1.00 0.00 C ATOM 246 CG GLN A 26 -2.546 -10.340 -5.801 1.00 0.00 C ATOM 247 CD GLN A 26 -2.736 -11.225 -7.042 1.00 0.00 C ATOM 248 OE1 GLN A 26 -1.901 -12.059 -7.332 1.00 0.00 O ATOM 249 NE2 GLN A 26 -3.799 -11.081 -7.794 1.00 0.00 N ATOM 0 H GLN A 26 -3.866 -8.953 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.918 -7.862 -5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.497 -9.448 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.668 -8.857 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.518 -9.981 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.728 -10.919 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.502 -10.382 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.923 -11.668 -8.619 1.00 0.00 H new ATOM 258 N PHE A 27 -4.768 -6.269 -5.030 1.00 0.00 N ATOM 259 CA PHE A 27 -5.469 -5.021 -5.477 1.00 0.00 C ATOM 260 C PHE A 27 -4.538 -3.830 -5.309 1.00 0.00 C ATOM 261 O PHE A 27 -4.418 -2.983 -6.170 1.00 0.00 O ATOM 262 CB PHE A 27 -6.702 -4.771 -4.618 1.00 0.00 C ATOM 263 CG PHE A 27 -7.882 -4.384 -5.481 1.00 0.00 C ATOM 264 CD1 PHE A 27 -7.681 -3.647 -6.656 1.00 0.00 C ATOM 265 CD2 PHE A 27 -9.180 -4.731 -5.087 1.00 0.00 C ATOM 266 CE1 PHE A 27 -8.778 -3.254 -7.431 1.00 0.00 C ATOM 267 CE2 PHE A 27 -10.274 -4.347 -5.867 1.00 0.00 C ATOM 268 CZ PHE A 27 -10.072 -3.606 -7.035 1.00 0.00 C ATOM 0 H PHE A 27 -5.229 -6.773 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.759 -5.144 -6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.941 -5.667 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.496 -3.979 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.680 -3.382 -6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.336 -5.296 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.625 -2.680 -8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.275 -4.622 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.919 -3.304 -7.634 1.00 0.00 H new ATOM 278 N ALA A 28 -3.899 -3.757 -4.183 1.00 0.00 N ATOM 279 CA ALA A 28 -2.986 -2.617 -3.905 1.00 0.00 C ATOM 280 C ALA A 28 -1.744 -2.686 -4.802 1.00 0.00 C ATOM 281 O ALA A 28 -1.416 -1.740 -5.492 1.00 0.00 O ATOM 282 CB ALA A 28 -2.568 -2.676 -2.439 1.00 0.00 C ATOM 0 H ALA A 28 -3.969 -4.445 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.503 -1.680 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.897 -1.846 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.452 -2.607 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.055 -3.618 -2.244 1.00 0.00 H new ATOM 288 N MET A 29 -1.043 -3.786 -4.792 1.00 0.00 N ATOM 289 CA MET A 29 0.182 -3.903 -5.639 1.00 0.00 C ATOM 290 C MET A 29 -0.079 -3.323 -7.031 1.00 0.00 C ATOM 291 O MET A 29 0.714 -2.565 -7.549 1.00 0.00 O ATOM 292 CB MET A 29 0.577 -5.376 -5.766 1.00 0.00 C ATOM 293 CG MET A 29 1.662 -5.525 -6.836 1.00 0.00 C ATOM 294 SD MET A 29 3.001 -4.350 -6.511 1.00 0.00 S ATOM 295 CE MET A 29 4.315 -5.567 -6.257 1.00 0.00 C ATOM 0 H MET A 29 -1.264 -4.611 -4.234 1.00 0.00 H new ATOM 0 HA MET A 29 0.991 -3.345 -5.169 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.942 -5.749 -4.809 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.294 -5.975 -6.031 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.050 -6.544 -6.835 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.239 -5.346 -7.825 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.251 -5.052 -6.038 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.054 -6.215 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.434 -6.168 -7.159 1.00 0.00 H new ATOM 305 N ALA A 30 -1.177 -3.670 -7.645 1.00 0.00 N ATOM 306 CA ALA A 30 -1.470 -3.133 -9.009 1.00 0.00 C ATOM 307 C ALA A 30 -1.472 -1.604 -8.973 1.00 0.00 C ATOM 308 O ALA A 30 -0.788 -0.961 -9.738 1.00 0.00 O ATOM 309 CB ALA A 30 -2.840 -3.634 -9.474 1.00 0.00 C ATOM 0 H ALA A 30 -1.883 -4.300 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.702 -3.477 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.052 -3.242 -10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.837 -4.724 -9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.607 -3.294 -8.778 1.00 0.00 H new ATOM 315 N GLU A 31 -2.226 -1.007 -8.096 1.00 0.00 N ATOM 316 CA GLU A 31 -2.232 0.481 -8.042 1.00 0.00 C ATOM 317 C GLU A 31 -0.784 0.968 -8.067 1.00 0.00 C ATOM 318 O GLU A 31 -0.474 2.016 -8.597 1.00 0.00 O ATOM 319 CB GLU A 31 -2.917 0.951 -6.757 1.00 0.00 C ATOM 320 CG GLU A 31 -4.287 0.283 -6.636 1.00 0.00 C ATOM 321 CD GLU A 31 -5.062 0.470 -7.942 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.266 1.608 -8.330 1.00 0.00 O ATOM 323 OE2 GLU A 31 -5.438 -0.531 -8.533 1.00 0.00 O ATOM 0 H GLU A 31 -2.831 -1.476 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.778 0.885 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.302 0.702 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.029 2.035 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.168 -0.779 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.843 0.717 -5.805 1.00 0.00 H new ATOM 330 N TYR A 32 0.107 0.197 -7.509 1.00 0.00 N ATOM 331 CA TYR A 32 1.549 0.602 -7.515 1.00 0.00 C ATOM 332 C TYR A 32 2.144 0.371 -8.907 1.00 0.00 C ATOM 333 O TYR A 32 2.942 1.150 -9.387 1.00 0.00 O ATOM 334 CB TYR A 32 2.343 -0.221 -6.496 1.00 0.00 C ATOM 335 CG TYR A 32 3.723 0.382 -6.335 1.00 0.00 C ATOM 336 CD1 TYR A 32 4.730 0.094 -7.270 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.002 1.227 -5.253 1.00 0.00 C ATOM 338 CE1 TYR A 32 6.006 0.649 -7.119 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.278 1.779 -5.105 1.00 0.00 C ATOM 340 CZ TYR A 32 6.280 1.490 -6.037 1.00 0.00 C ATOM 341 OH TYR A 32 7.539 2.033 -5.887 1.00 0.00 O ATOM 0 H TYR A 32 -0.095 -0.692 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 32 1.610 1.658 -7.251 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.824 -0.233 -5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.422 -1.256 -6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.520 -0.556 -8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.230 1.452 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.780 0.427 -7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.490 2.430 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 32 7.560 2.595 -5.084 1.00 0.00 H new ATOM 351 N ASN A 33 1.774 -0.701 -9.554 1.00 0.00 N ATOM 352 CA ASN A 33 2.341 -0.978 -10.912 1.00 0.00 C ATOM 353 C ASN A 33 2.128 0.245 -11.811 1.00 0.00 C ATOM 354 O ASN A 33 2.917 0.514 -12.696 1.00 0.00 O ATOM 355 CB ASN A 33 1.705 -2.233 -11.567 1.00 0.00 C ATOM 356 CG ASN A 33 0.185 -2.028 -11.806 1.00 0.00 C ATOM 357 OD1 ASN A 33 -0.255 -0.916 -12.005 1.00 0.00 O ATOM 358 ND2 ASN A 33 -0.648 -3.051 -11.811 1.00 0.00 N ATOM 0 H ASN A 33 1.110 -1.393 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 33 3.406 -1.178 -10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.200 -2.443 -12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.862 -3.101 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.642 -2.898 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.298 -3.995 -11.646 1.00 0.00 H new ATOM 365 N ARG A 34 1.070 0.987 -11.607 1.00 0.00 N ATOM 366 CA ARG A 34 0.814 2.166 -12.451 1.00 0.00 C ATOM 367 C ARG A 34 1.483 3.409 -11.848 1.00 0.00 C ATOM 368 O ARG A 34 1.841 4.334 -12.552 1.00 0.00 O ATOM 369 CB ARG A 34 -0.690 2.368 -12.494 1.00 0.00 C ATOM 370 CG ARG A 34 -1.235 2.444 -11.068 1.00 0.00 C ATOM 371 CD ARG A 34 -2.584 3.164 -11.079 1.00 0.00 C ATOM 372 NE ARG A 34 -2.397 4.574 -10.634 1.00 0.00 N ATOM 373 CZ ARG A 34 -3.128 5.524 -11.150 1.00 0.00 C ATOM 374 NH1 ARG A 34 -4.390 5.621 -10.834 1.00 0.00 N ATOM 375 NH2 ARG A 34 -2.596 6.382 -11.977 1.00 0.00 N ATOM 0 H ARG A 34 0.373 0.816 -10.882 1.00 0.00 H new ATOM 0 HA ARG A 34 1.220 2.014 -13.451 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.929 3.283 -13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.163 1.546 -13.032 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.349 1.441 -10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.532 2.975 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.012 3.141 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.286 2.653 -10.420 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.697 4.797 -9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.806 4.954 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.961 6.364 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.608 6.310 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.168 7.124 -12.380 1.00 0.00 H new ATOM 389 N ALA A 35 1.641 3.448 -10.551 1.00 0.00 N ATOM 390 CA ALA A 35 2.268 4.637 -9.907 1.00 0.00 C ATOM 391 C ALA A 35 3.752 4.728 -10.284 1.00 0.00 C ATOM 392 O ALA A 35 4.284 5.804 -10.466 1.00 0.00 O ATOM 393 CB ALA A 35 2.139 4.517 -8.388 1.00 0.00 C ATOM 0 H ALA A 35 1.362 2.706 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 35 1.759 5.536 -10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.597 5.385 -7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.085 4.468 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.643 3.612 -8.050 1.00 0.00 H new ATOM 399 N SER A 36 4.432 3.615 -10.390 1.00 0.00 N ATOM 400 CA SER A 36 5.877 3.666 -10.740 1.00 0.00 C ATOM 401 C SER A 36 6.054 3.599 -12.254 1.00 0.00 C ATOM 402 O SER A 36 7.157 3.680 -12.754 1.00 0.00 O ATOM 403 CB SER A 36 6.609 2.503 -10.052 1.00 0.00 C ATOM 404 OG SER A 36 5.735 1.385 -9.961 1.00 0.00 O ATOM 0 H SER A 36 4.049 2.680 -10.250 1.00 0.00 H new ATOM 0 HA SER A 36 6.304 4.606 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.502 2.236 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.939 2.803 -9.057 1.00 0.00 H new ATOM 0 HG SER A 36 5.512 1.220 -9.021 1.00 0.00 H new ATOM 410 N ASN A 37 4.966 3.468 -12.975 1.00 0.00 N ATOM 411 CA ASN A 37 5.019 3.399 -14.478 1.00 0.00 C ATOM 412 C ASN A 37 6.394 2.907 -14.949 1.00 0.00 C ATOM 413 O ASN A 37 6.637 1.724 -15.070 1.00 0.00 O ATOM 414 CB ASN A 37 4.750 4.790 -15.062 1.00 0.00 C ATOM 415 CG ASN A 37 5.021 4.770 -16.569 1.00 0.00 C ATOM 416 OD1 ASN A 37 5.724 5.618 -17.082 1.00 0.00 O ATOM 417 ND2 ASN A 37 4.488 3.832 -17.306 1.00 0.00 N ATOM 0 H ASN A 37 4.027 3.405 -12.583 1.00 0.00 H new ATOM 0 HA ASN A 37 4.259 2.697 -14.822 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.718 5.083 -14.871 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.387 5.530 -14.577 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.662 3.812 -18.311 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.898 3.120 -16.877 1.00 0.00 H new ATOM 424 N ASP A 38 7.295 3.818 -15.211 1.00 0.00 N ATOM 425 CA ASP A 38 8.660 3.416 -15.670 1.00 0.00 C ATOM 426 C ASP A 38 9.297 2.463 -14.652 1.00 0.00 C ATOM 427 O ASP A 38 8.619 1.849 -13.853 1.00 0.00 O ATOM 428 CB ASP A 38 9.534 4.654 -15.876 1.00 0.00 C ATOM 429 CG ASP A 38 8.903 5.548 -16.946 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.733 5.077 -18.058 1.00 0.00 O ATOM 431 OD2 ASP A 38 8.601 6.688 -16.634 1.00 0.00 O ATOM 0 H ASP A 38 7.145 4.823 -15.127 1.00 0.00 H new ATOM 0 HA ASP A 38 8.576 2.895 -16.624 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.633 5.203 -14.940 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.538 4.358 -16.180 1.00 0.00 H new ATOM 436 N LYS A 39 10.590 2.326 -14.692 1.00 0.00 N ATOM 437 CA LYS A 39 11.291 1.399 -13.750 1.00 0.00 C ATOM 438 C LYS A 39 12.298 2.198 -12.932 1.00 0.00 C ATOM 439 O LYS A 39 13.429 1.784 -12.770 1.00 0.00 O ATOM 440 CB LYS A 39 12.069 0.353 -14.551 1.00 0.00 C ATOM 441 CG LYS A 39 12.468 0.929 -15.913 1.00 0.00 C ATOM 442 CD LYS A 39 13.605 0.097 -16.508 1.00 0.00 C ATOM 443 CE LYS A 39 13.805 0.482 -17.975 1.00 0.00 C ATOM 444 NZ LYS A 39 15.009 1.351 -18.102 1.00 0.00 N ATOM 0 H LYS A 39 11.202 2.819 -15.342 1.00 0.00 H new ATOM 0 HA LYS A 39 10.557 0.917 -13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.959 0.049 -14.000 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.459 -0.540 -14.689 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.611 0.926 -16.586 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.782 1.967 -15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.525 0.266 -15.948 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.373 -0.965 -16.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.924 -0.414 -18.584 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.925 1.006 -18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.145 1.613 -19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.878 2.212 -17.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.846 0.836 -17.762 1.00 0.00 H new ATOM 458 N TYR A 40 11.935 3.355 -12.453 1.00 0.00 N ATOM 459 CA TYR A 40 12.924 4.166 -11.714 1.00 0.00 C ATOM 460 C TYR A 40 12.220 5.388 -11.106 1.00 0.00 C ATOM 461 O TYR A 40 11.150 5.771 -11.533 1.00 0.00 O ATOM 462 CB TYR A 40 13.949 4.674 -12.751 1.00 0.00 C ATOM 463 CG TYR A 40 15.124 3.686 -13.009 1.00 0.00 C ATOM 464 CD1 TYR A 40 16.168 3.549 -12.061 1.00 0.00 C ATOM 465 CD2 TYR A 40 15.206 2.927 -14.207 1.00 0.00 C ATOM 466 CE1 TYR A 40 17.240 2.685 -12.300 1.00 0.00 C ATOM 467 CE2 TYR A 40 16.289 2.069 -14.428 1.00 0.00 C ATOM 468 CZ TYR A 40 17.301 1.947 -13.478 1.00 0.00 C ATOM 469 OH TYR A 40 18.363 1.097 -13.707 1.00 0.00 O ATOM 0 H TYR A 40 11.005 3.765 -12.543 1.00 0.00 H new ATOM 0 HA TYR A 40 13.396 3.581 -10.925 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.435 4.866 -13.693 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.355 5.626 -12.410 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.135 4.118 -11.144 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.428 3.013 -14.951 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.026 2.589 -11.566 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.341 1.497 -15.342 1.00 0.00 H new ATOM 0 HH TYR A 40 18.249 0.658 -14.576 1.00 0.00 H new ATOM 479 N SER A 41 12.830 6.017 -10.128 1.00 0.00 N ATOM 480 CA SER A 41 12.234 7.240 -9.510 1.00 0.00 C ATOM 481 C SER A 41 11.247 6.900 -8.421 1.00 0.00 C ATOM 482 O SER A 41 11.029 7.665 -7.514 1.00 0.00 O ATOM 483 CB SER A 41 11.546 8.111 -10.569 1.00 0.00 C ATOM 484 OG SER A 41 12.094 7.840 -11.851 1.00 0.00 O ATOM 0 H SER A 41 13.724 5.730 -9.730 1.00 0.00 H new ATOM 0 HA SER A 41 13.058 7.797 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.474 7.914 -10.574 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.675 9.165 -10.325 1.00 0.00 H new ATOM 0 HG SER A 41 11.478 7.269 -12.356 1.00 0.00 H new ATOM 490 N SER A 42 10.664 5.775 -8.505 1.00 0.00 N ATOM 491 CA SER A 42 9.666 5.367 -7.466 1.00 0.00 C ATOM 492 C SER A 42 10.151 4.102 -6.732 1.00 0.00 C ATOM 493 O SER A 42 10.749 3.231 -7.336 1.00 0.00 O ATOM 494 CB SER A 42 8.312 5.071 -8.128 1.00 0.00 C ATOM 495 OG SER A 42 7.901 6.194 -8.894 1.00 0.00 O ATOM 0 H SER A 42 10.820 5.094 -9.248 1.00 0.00 H new ATOM 0 HA SER A 42 9.556 6.183 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.393 4.192 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.565 4.844 -7.367 1.00 0.00 H new ATOM 0 HG SER A 42 6.922 6.235 -8.915 1.00 0.00 H new ATOM 501 N ARG A 43 9.893 3.967 -5.446 1.00 0.00 N ATOM 502 CA ARG A 43 10.339 2.736 -4.732 1.00 0.00 C ATOM 503 C ARG A 43 9.725 2.710 -3.330 1.00 0.00 C ATOM 504 O ARG A 43 9.780 3.680 -2.600 1.00 0.00 O ATOM 505 CB ARG A 43 11.867 2.725 -4.612 1.00 0.00 C ATOM 506 CG ARG A 43 12.340 4.037 -3.981 1.00 0.00 C ATOM 507 CD ARG A 43 13.523 3.754 -3.054 1.00 0.00 C ATOM 508 NE ARG A 43 14.397 2.714 -3.667 1.00 0.00 N ATOM 509 CZ ARG A 43 15.459 2.297 -3.034 1.00 0.00 C ATOM 510 NH1 ARG A 43 15.361 1.875 -1.803 1.00 0.00 N ATOM 511 NH2 ARG A 43 16.618 2.297 -3.634 1.00 0.00 N ATOM 0 H ARG A 43 9.399 4.651 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 43 10.015 1.861 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.188 1.880 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.319 2.599 -5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.633 4.743 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.527 4.499 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.092 4.668 -2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.164 3.416 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 43 14.165 2.328 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.454 1.871 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.191 1.549 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.693 2.623 -4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.448 1.971 -3.139 1.00 0.00 H new ATOM 525 N VAL A 44 9.137 1.612 -2.944 1.00 0.00 N ATOM 526 CA VAL A 44 8.528 1.518 -1.610 1.00 0.00 C ATOM 527 C VAL A 44 9.627 1.319 -0.564 1.00 0.00 C ATOM 528 O VAL A 44 10.706 0.848 -0.865 1.00 0.00 O ATOM 529 CB VAL A 44 7.577 0.323 -1.595 1.00 0.00 C ATOM 530 CG1 VAL A 44 6.409 0.648 -0.696 1.00 0.00 C ATOM 531 CG2 VAL A 44 7.044 0.037 -3.005 1.00 0.00 C ATOM 0 H VAL A 44 9.057 0.769 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 44 7.979 2.431 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 44 8.116 -0.554 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.720 -0.196 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.771 0.847 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.891 1.529 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.369 -0.818 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.507 0.910 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.878 -0.185 -3.671 1.00 0.00 H new ATOM 541 N VAL A 45 9.361 1.669 0.664 1.00 0.00 N ATOM 542 CA VAL A 45 10.387 1.497 1.729 1.00 0.00 C ATOM 543 C VAL A 45 9.945 0.376 2.674 1.00 0.00 C ATOM 544 O VAL A 45 10.668 -0.570 2.912 1.00 0.00 O ATOM 545 CB VAL A 45 10.531 2.801 2.518 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.866 2.799 3.269 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.490 3.986 1.551 1.00 0.00 C ATOM 0 H VAL A 45 8.475 2.067 0.976 1.00 0.00 H new ATOM 0 HA VAL A 45 11.345 1.242 1.277 1.00 0.00 H new ATOM 0 HB VAL A 45 9.713 2.887 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.969 3.727 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.895 1.954 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.685 2.715 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.592 4.916 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.308 3.901 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.540 3.987 1.017 1.00 0.00 H new ATOM 557 N ARG A 46 8.760 0.478 3.214 1.00 0.00 N ATOM 558 CA ARG A 46 8.272 -0.581 4.145 1.00 0.00 C ATOM 559 C ARG A 46 6.840 -0.261 4.585 1.00 0.00 C ATOM 560 O ARG A 46 6.432 0.883 4.624 1.00 0.00 O ATOM 561 CB ARG A 46 9.183 -0.633 5.375 1.00 0.00 C ATOM 562 CG ARG A 46 9.278 -2.072 5.882 1.00 0.00 C ATOM 563 CD ARG A 46 9.976 -2.089 7.245 1.00 0.00 C ATOM 564 NE ARG A 46 11.262 -1.343 7.155 1.00 0.00 N ATOM 565 CZ ARG A 46 11.629 -0.555 8.130 1.00 0.00 C ATOM 566 NH1 ARG A 46 11.449 -0.923 9.369 1.00 0.00 N ATOM 567 NH2 ARG A 46 12.174 0.602 7.865 1.00 0.00 N ATOM 0 H ARG A 46 8.110 1.247 3.051 1.00 0.00 H new ATOM 0 HA ARG A 46 8.286 -1.545 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.175 -0.260 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.790 0.014 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.281 -2.505 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.832 -2.684 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.333 -1.637 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.161 -3.117 7.558 1.00 0.00 H new ATOM 0 HE ARG A 46 11.856 -1.447 6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.022 -1.826 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.736 -0.308 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.313 0.890 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.460 1.217 8.626 1.00 0.00 H new ATOM 581 N VAL A 47 6.078 -1.265 4.930 1.00 0.00 N ATOM 582 CA VAL A 47 4.674 -1.018 5.381 1.00 0.00 C ATOM 583 C VAL A 47 4.711 -0.531 6.832 1.00 0.00 C ATOM 584 O VAL A 47 5.574 -0.904 7.601 1.00 0.00 O ATOM 585 CB VAL A 47 3.835 -2.316 5.241 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.072 -2.633 6.535 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.830 -2.132 4.104 1.00 0.00 C ATOM 0 H VAL A 47 6.365 -2.244 4.920 1.00 0.00 H new ATOM 0 HA VAL A 47 4.203 -0.256 4.761 1.00 0.00 H new ATOM 0 HB VAL A 47 4.512 -3.144 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.495 -3.548 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.781 -2.767 7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.398 -1.810 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.234 -3.038 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.174 -1.291 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.364 -1.936 3.174 1.00 0.00 H new ATOM 597 N ILE A 48 3.784 0.305 7.211 1.00 0.00 N ATOM 598 CA ILE A 48 3.781 0.814 8.611 1.00 0.00 C ATOM 599 C ILE A 48 2.882 -0.073 9.472 1.00 0.00 C ATOM 600 O ILE A 48 3.189 -0.353 10.613 1.00 0.00 O ATOM 601 CB ILE A 48 3.252 2.249 8.631 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.189 3.150 7.825 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.185 2.747 10.077 1.00 0.00 C ATOM 604 CD1 ILE A 48 3.646 4.581 7.824 1.00 0.00 C ATOM 0 H ILE A 48 3.033 0.656 6.616 1.00 0.00 H new ATOM 0 HA ILE A 48 4.796 0.796 9.007 1.00 0.00 H new ATOM 0 HB ILE A 48 2.255 2.275 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.190 3.130 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.275 2.782 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.808 3.770 10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.517 2.105 10.652 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.182 2.721 10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.314 5.223 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.654 4.593 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.583 4.947 8.849 1.00 0.00 H new ATOM 616 N SER A 49 1.784 -0.524 8.927 1.00 0.00 N ATOM 617 CA SER A 49 0.854 -1.404 9.708 1.00 0.00 C ATOM 618 C SER A 49 -0.435 -1.620 8.913 1.00 0.00 C ATOM 619 O SER A 49 -0.603 -1.092 7.831 1.00 0.00 O ATOM 620 CB SER A 49 0.500 -0.757 11.057 1.00 0.00 C ATOM 621 OG SER A 49 0.014 -1.756 11.941 1.00 0.00 O ATOM 0 H SER A 49 1.487 -0.323 7.972 1.00 0.00 H new ATOM 0 HA SER A 49 1.352 -2.357 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.379 -0.273 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.253 0.018 10.916 1.00 0.00 H new ATOM 0 HG SER A 49 -0.211 -1.348 12.803 1.00 0.00 H new ATOM 627 N ALA A 50 -1.351 -2.387 9.443 1.00 0.00 N ATOM 628 CA ALA A 50 -2.630 -2.627 8.720 1.00 0.00 C ATOM 629 C ALA A 50 -3.793 -2.581 9.713 1.00 0.00 C ATOM 630 O ALA A 50 -3.782 -3.249 10.728 1.00 0.00 O ATOM 631 CB ALA A 50 -2.591 -4.002 8.049 1.00 0.00 C ATOM 0 H ALA A 50 -1.267 -2.856 10.345 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.766 -1.856 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.528 -4.176 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.763 -4.038 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.454 -4.773 8.807 1.00 0.00 H new ATOM 637 N LYS A 51 -4.802 -1.804 9.427 1.00 0.00 N ATOM 638 CA LYS A 51 -5.971 -1.724 10.357 1.00 0.00 C ATOM 639 C LYS A 51 -7.260 -1.848 9.546 1.00 0.00 C ATOM 640 O LYS A 51 -7.325 -1.436 8.409 1.00 0.00 O ATOM 641 CB LYS A 51 -5.961 -0.383 11.096 1.00 0.00 C ATOM 642 CG LYS A 51 -4.689 -0.276 11.936 1.00 0.00 C ATOM 643 CD LYS A 51 -5.055 0.167 13.354 1.00 0.00 C ATOM 644 CE LYS A 51 -4.357 -0.742 14.368 1.00 0.00 C ATOM 645 NZ LYS A 51 -4.599 -0.226 15.746 1.00 0.00 N ATOM 0 H LYS A 51 -4.870 -1.221 8.592 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.910 -2.531 11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.008 0.439 10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.840 -0.301 11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.176 -1.237 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.001 0.439 11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.755 1.203 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.135 0.123 13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.733 -1.761 14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.287 -0.778 14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.125 -0.843 16.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.220 0.739 15.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.621 -0.214 15.938 1.00 0.00 H new ATOM 659 N ARG A 52 -8.287 -2.417 10.109 1.00 0.00 N ATOM 660 CA ARG A 52 -9.552 -2.562 9.343 1.00 0.00 C ATOM 661 C ARG A 52 -10.723 -1.967 10.120 1.00 0.00 C ATOM 662 O ARG A 52 -10.870 -2.159 11.311 1.00 0.00 O ATOM 663 CB ARG A 52 -9.832 -4.050 9.088 1.00 0.00 C ATOM 664 CG ARG A 52 -9.652 -4.827 10.393 1.00 0.00 C ATOM 665 CD ARG A 52 -10.743 -5.894 10.511 1.00 0.00 C ATOM 666 NE ARG A 52 -10.112 -7.229 10.702 1.00 0.00 N ATOM 667 CZ ARG A 52 -10.727 -8.307 10.295 1.00 0.00 C ATOM 668 NH1 ARG A 52 -10.792 -8.579 9.021 1.00 0.00 N ATOM 669 NH2 ARG A 52 -11.277 -9.111 11.162 1.00 0.00 N ATOM 0 H ARG A 52 -8.305 -2.785 11.060 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.444 -2.031 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.846 -4.182 8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.154 -4.434 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.668 -5.295 10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.702 -4.146 11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.400 -5.667 11.351 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.362 -5.897 9.614 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.199 -7.302 11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.363 -7.950 8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.272 -9.421 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.227 -8.898 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.757 -9.953 10.844 1.00 0.00 H new ATOM 683 N GLN A 53 -11.570 -1.266 9.428 1.00 0.00 N ATOM 684 CA GLN A 53 -12.771 -0.661 10.071 1.00 0.00 C ATOM 685 C GLN A 53 -14.008 -1.373 9.526 1.00 0.00 C ATOM 686 O GLN A 53 -13.905 -2.245 8.687 1.00 0.00 O ATOM 687 CB GLN A 53 -12.845 0.828 9.730 1.00 0.00 C ATOM 688 CG GLN A 53 -12.330 1.645 10.915 1.00 0.00 C ATOM 689 CD GLN A 53 -13.068 2.985 10.973 1.00 0.00 C ATOM 690 OE1 GLN A 53 -14.281 3.023 11.014 1.00 0.00 O ATOM 691 NE2 GLN A 53 -12.378 4.093 10.978 1.00 0.00 N ATOM 0 H GLN A 53 -11.483 -1.082 8.429 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.715 -0.770 11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.249 1.039 8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.872 1.109 9.499 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.482 1.094 11.843 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.258 1.813 10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.359 4.059 10.944 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.858 4.992 11.016 1.00 0.00 H new ATOM 700 N LEU A 54 -15.173 -1.026 9.987 1.00 0.00 N ATOM 701 CA LEU A 54 -16.391 -1.717 9.474 1.00 0.00 C ATOM 702 C LEU A 54 -17.357 -0.698 8.832 1.00 0.00 C ATOM 703 O LEU A 54 -17.456 0.430 9.272 1.00 0.00 O ATOM 704 CB LEU A 54 -17.095 -2.424 10.633 1.00 0.00 C ATOM 705 CG LEU A 54 -17.149 -1.492 11.845 1.00 0.00 C ATOM 706 CD1 LEU A 54 -18.557 -1.518 12.445 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.139 -1.963 12.894 1.00 0.00 C ATOM 0 H LEU A 54 -15.338 -0.304 10.688 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.094 -2.445 8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.104 -2.712 10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.564 -3.341 10.890 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.905 -0.476 11.535 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -18.597 -0.854 13.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.277 -1.185 11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -18.801 -2.534 12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.176 -1.300 13.758 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.384 -2.979 13.205 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.136 -1.946 12.467 1.00 0.00 H new ATOM 719 N VAL A 55 -18.078 -1.087 7.797 1.00 0.00 N ATOM 720 CA VAL A 55 -19.030 -0.163 7.137 1.00 0.00 C ATOM 721 C VAL A 55 -19.891 -1.059 6.256 1.00 0.00 C ATOM 722 O VAL A 55 -19.727 -1.065 5.052 1.00 0.00 O ATOM 723 CB VAL A 55 -18.258 0.824 6.263 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.671 1.935 7.138 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.128 0.082 5.555 1.00 0.00 C ATOM 0 H VAL A 55 -18.037 -2.020 7.387 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.620 0.410 7.852 1.00 0.00 H new ATOM 0 HB VAL A 55 -18.929 1.265 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.121 2.638 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.478 2.459 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.996 1.500 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.571 0.779 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.458 -0.354 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.546 -0.710 4.934 1.00 0.00 H new ATOM 735 N SER A 56 -20.737 -1.887 6.849 1.00 0.00 N ATOM 736 CA SER A 56 -21.533 -2.858 6.052 1.00 0.00 C ATOM 737 C SER A 56 -20.680 -4.120 5.960 1.00 0.00 C ATOM 738 O SER A 56 -21.072 -5.191 6.379 1.00 0.00 O ATOM 739 CB SER A 56 -21.800 -2.299 4.669 1.00 0.00 C ATOM 740 OG SER A 56 -22.967 -2.896 4.122 1.00 0.00 O ATOM 0 H SER A 56 -20.901 -1.921 7.855 1.00 0.00 H new ATOM 0 HA SER A 56 -22.500 -3.063 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.925 -1.218 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.945 -2.489 4.020 1.00 0.00 H new ATOM 0 HG SER A 56 -22.755 -3.799 3.807 1.00 0.00 H new ATOM 746 N GLY A 57 -19.485 -3.973 5.451 1.00 0.00 N ATOM 747 CA GLY A 57 -18.548 -5.108 5.360 1.00 0.00 C ATOM 748 C GLY A 57 -17.257 -4.699 6.075 1.00 0.00 C ATOM 749 O GLY A 57 -17.295 -3.926 7.018 1.00 0.00 O ATOM 0 H GLY A 57 -19.121 -3.091 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.977 -5.997 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.347 -5.356 4.318 1.00 0.00 H new ATOM 753 N ILE A 58 -16.108 -5.171 5.642 1.00 0.00 N ATOM 754 CA ILE A 58 -14.861 -4.746 6.333 1.00 0.00 C ATOM 755 C ILE A 58 -14.054 -3.858 5.391 1.00 0.00 C ATOM 756 O ILE A 58 -14.166 -3.949 4.189 1.00 0.00 O ATOM 757 CB ILE A 58 -14.020 -5.968 6.734 1.00 0.00 C ATOM 758 CG1 ILE A 58 -14.868 -7.241 6.659 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.512 -5.785 8.166 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.049 -8.432 7.155 1.00 0.00 C ATOM 0 H ILE A 58 -15.987 -5.815 4.860 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.123 -4.197 7.237 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.177 -6.060 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.767 -7.127 7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.194 -7.413 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.915 -6.650 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.898 -4.886 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.360 -5.688 8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.654 -9.337 7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.163 -8.550 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.745 -8.260 8.187 1.00 0.00 H new ATOM 772 N LYS A 59 -13.236 -3.006 5.931 1.00 0.00 N ATOM 773 CA LYS A 59 -12.407 -2.119 5.067 1.00 0.00 C ATOM 774 C LYS A 59 -10.986 -2.129 5.608 1.00 0.00 C ATOM 775 O LYS A 59 -10.772 -2.111 6.798 1.00 0.00 O ATOM 776 CB LYS A 59 -12.960 -0.689 5.083 1.00 0.00 C ATOM 777 CG LYS A 59 -12.118 0.187 4.153 1.00 0.00 C ATOM 778 CD LYS A 59 -12.893 0.447 2.861 1.00 0.00 C ATOM 779 CE LYS A 59 -13.478 1.860 2.890 1.00 0.00 C ATOM 780 NZ LYS A 59 -14.908 1.799 3.299 1.00 0.00 N ATOM 0 H LYS A 59 -13.103 -2.883 6.935 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.426 -2.479 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.001 -0.686 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.938 -0.289 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.878 1.131 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.172 -0.305 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.234 0.333 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.692 -0.286 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.916 2.483 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.390 2.322 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.476 2.397 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.244 0.817 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.004 2.141 4.277 1.00 0.00 H new ATOM 794 N TYR A 60 -10.007 -2.179 4.757 1.00 0.00 N ATOM 795 CA TYR A 60 -8.612 -2.209 5.261 1.00 0.00 C ATOM 796 C TYR A 60 -7.960 -0.842 5.061 1.00 0.00 C ATOM 797 O TYR A 60 -8.358 -0.063 4.219 1.00 0.00 O ATOM 798 CB TYR A 60 -7.818 -3.278 4.505 1.00 0.00 C ATOM 799 CG TYR A 60 -8.423 -4.637 4.772 1.00 0.00 C ATOM 800 CD1 TYR A 60 -8.431 -5.156 6.071 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.978 -5.380 3.720 1.00 0.00 C ATOM 802 CE1 TYR A 60 -8.991 -6.416 6.321 1.00 0.00 C ATOM 803 CE2 TYR A 60 -9.537 -6.638 3.970 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.545 -7.155 5.269 1.00 0.00 C ATOM 805 OH TYR A 60 -10.096 -8.396 5.514 1.00 0.00 O ATOM 0 H TYR A 60 -10.110 -2.200 3.742 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.618 -2.448 6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.829 -3.067 3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.775 -3.264 4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.005 -4.585 6.882 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.974 -4.981 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.995 -6.816 7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.963 -7.210 3.159 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.640 -8.670 4.746 1.00 0.00 H new ATOM 815 N ILE A 61 -6.956 -0.556 5.836 1.00 0.00 N ATOM 816 CA ILE A 61 -6.255 0.750 5.713 1.00 0.00 C ATOM 817 C ILE A 61 -4.790 0.546 6.094 1.00 0.00 C ATOM 818 O ILE A 61 -4.465 0.255 7.231 1.00 0.00 O ATOM 819 CB ILE A 61 -6.905 1.776 6.649 1.00 0.00 C ATOM 820 CG1 ILE A 61 -6.993 1.202 8.067 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.315 2.104 6.152 1.00 0.00 C ATOM 822 CD1 ILE A 61 -6.631 2.288 9.083 1.00 0.00 C ATOM 0 H ILE A 61 -6.587 -1.176 6.557 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.324 1.122 4.691 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.299 2.682 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.000 0.832 8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.316 0.354 8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.775 2.833 6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.259 2.517 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.916 1.195 6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.694 1.879 10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.616 2.637 8.896 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.325 3.123 8.986 1.00 0.00 H new ATOM 834 N LEU A 62 -3.901 0.662 5.148 1.00 0.00 N ATOM 835 CA LEU A 62 -2.461 0.443 5.457 1.00 0.00 C ATOM 836 C LEU A 62 -1.665 1.729 5.176 1.00 0.00 C ATOM 837 O LEU A 62 -1.902 2.403 4.198 1.00 0.00 O ATOM 838 CB LEU A 62 -1.975 -0.753 4.613 1.00 0.00 C ATOM 839 CG LEU A 62 -1.030 -0.339 3.500 1.00 0.00 C ATOM 840 CD1 LEU A 62 0.406 -0.464 4.009 1.00 0.00 C ATOM 841 CD2 LEU A 62 -1.235 -1.290 2.328 1.00 0.00 C ATOM 0 H LEU A 62 -4.108 0.898 4.178 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.310 0.210 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.473 -1.470 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.837 -1.262 4.182 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.221 0.688 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.098 -0.170 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.543 0.186 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.601 -1.497 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.566 -1.013 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.018 -2.310 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.268 -1.228 1.986 1.00 0.00 H new ATOM 853 N GLN A 63 -0.732 2.073 6.033 1.00 0.00 N ATOM 854 CA GLN A 63 0.075 3.319 5.829 1.00 0.00 C ATOM 855 C GLN A 63 1.455 2.926 5.301 1.00 0.00 C ATOM 856 O GLN A 63 2.274 2.401 6.024 1.00 0.00 O ATOM 857 CB GLN A 63 0.232 4.063 7.172 1.00 0.00 C ATOM 858 CG GLN A 63 -0.689 3.450 8.233 1.00 0.00 C ATOM 859 CD GLN A 63 -0.659 4.312 9.496 1.00 0.00 C ATOM 860 OE1 GLN A 63 -0.090 5.385 9.501 1.00 0.00 O ATOM 861 NE2 GLN A 63 -1.251 3.881 10.577 1.00 0.00 N ATOM 0 H GLN A 63 -0.494 1.541 6.870 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.427 3.973 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.268 4.009 7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.006 5.118 7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.707 3.383 7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.368 2.435 8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.729 2.980 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.236 4.446 11.426 1.00 0.00 H new ATOM 870 N VAL A 64 1.711 3.143 4.039 1.00 0.00 N ATOM 871 CA VAL A 64 3.003 2.751 3.462 1.00 0.00 C ATOM 872 C VAL A 64 3.943 3.958 3.396 1.00 0.00 C ATOM 873 O VAL A 64 3.514 5.088 3.304 1.00 0.00 O ATOM 874 CB VAL A 64 2.730 2.252 2.039 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.455 1.412 2.015 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.550 3.447 1.096 1.00 0.00 C ATOM 0 H VAL A 64 1.063 3.582 3.385 1.00 0.00 H new ATOM 0 HA VAL A 64 3.472 1.980 4.073 1.00 0.00 H new ATOM 0 HB VAL A 64 3.576 1.646 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.269 1.062 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.571 0.555 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.613 2.019 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.356 3.087 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.709 4.053 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.457 4.052 1.098 1.00 0.00 H new ATOM 886 N GLU A 65 5.220 3.720 3.396 1.00 0.00 N ATOM 887 CA GLU A 65 6.184 4.844 3.282 1.00 0.00 C ATOM 888 C GLU A 65 6.876 4.714 1.925 1.00 0.00 C ATOM 889 O GLU A 65 7.840 3.990 1.778 1.00 0.00 O ATOM 890 CB GLU A 65 7.219 4.758 4.403 1.00 0.00 C ATOM 891 CG GLU A 65 8.344 5.757 4.130 1.00 0.00 C ATOM 892 CD GLU A 65 8.560 6.634 5.365 1.00 0.00 C ATOM 893 OE1 GLU A 65 7.576 7.026 5.968 1.00 0.00 O ATOM 894 OE2 GLU A 65 9.706 6.903 5.683 1.00 0.00 O ATOM 0 H GLU A 65 5.640 2.793 3.470 1.00 0.00 H new ATOM 0 HA GLU A 65 5.671 5.802 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.751 4.974 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.622 3.747 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.263 5.226 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.093 6.378 3.270 1.00 0.00 H new ATOM 901 N ILE A 66 6.374 5.384 0.925 1.00 0.00 N ATOM 902 CA ILE A 66 6.990 5.262 -0.427 1.00 0.00 C ATOM 903 C ILE A 66 7.868 6.482 -0.734 1.00 0.00 C ATOM 904 O ILE A 66 7.490 7.609 -0.477 1.00 0.00 O ATOM 905 CB ILE A 66 5.892 5.145 -1.490 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.664 5.962 -1.076 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.493 3.677 -1.645 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.589 5.846 -2.157 1.00 0.00 C ATOM 0 H ILE A 66 5.569 6.007 0.984 1.00 0.00 H new ATOM 0 HA ILE A 66 7.613 4.367 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 66 6.272 5.530 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.278 5.601 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.940 7.007 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.712 3.590 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.362 3.094 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.121 3.299 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.714 6.427 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.979 6.228 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.306 4.800 -2.278 1.00 0.00 H new ATOM 920 N GLY A 67 9.036 6.267 -1.289 1.00 0.00 N ATOM 921 CA GLY A 67 9.930 7.406 -1.625 1.00 0.00 C ATOM 922 C GLY A 67 10.391 7.266 -3.085 1.00 0.00 C ATOM 923 O GLY A 67 10.047 6.314 -3.770 1.00 0.00 O ATOM 0 H GLY A 67 9.405 5.345 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.405 8.351 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.792 7.418 -0.958 1.00 0.00 H new ATOM 927 N ARG A 68 11.160 8.208 -3.573 1.00 0.00 N ATOM 928 CA ARG A 68 11.634 8.129 -4.986 1.00 0.00 C ATOM 929 C ARG A 68 13.061 7.575 -5.005 1.00 0.00 C ATOM 930 O ARG A 68 13.671 7.422 -3.966 1.00 0.00 O ATOM 931 CB ARG A 68 11.618 9.533 -5.597 1.00 0.00 C ATOM 932 CG ARG A 68 10.411 10.307 -5.064 1.00 0.00 C ATOM 933 CD ARG A 68 9.129 9.531 -5.375 1.00 0.00 C ATOM 934 NE ARG A 68 8.174 10.420 -6.096 1.00 0.00 N ATOM 935 CZ ARG A 68 8.586 11.146 -7.098 1.00 0.00 C ATOM 936 NH1 ARG A 68 9.352 10.619 -8.014 1.00 0.00 N ATOM 937 NH2 ARG A 68 8.231 12.399 -7.184 1.00 0.00 N ATOM 0 H ARG A 68 11.479 9.026 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 68 10.982 7.473 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.540 10.060 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.571 9.468 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.507 10.456 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.370 11.296 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.359 8.656 -5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.678 9.167 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 68 7.197 10.461 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.628 9.639 -7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.674 11.187 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.632 12.810 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.553 12.968 -7.967 1.00 0.00 H new ATOM 951 N THR A 69 13.620 7.268 -6.159 1.00 0.00 N ATOM 952 CA THR A 69 15.021 6.729 -6.136 1.00 0.00 C ATOM 953 C THR A 69 15.631 6.569 -7.551 1.00 0.00 C ATOM 954 O THR A 69 14.975 6.794 -8.554 1.00 0.00 O ATOM 955 CB THR A 69 15.009 5.368 -5.436 1.00 0.00 C ATOM 956 OG1 THR A 69 16.322 5.023 -5.025 1.00 0.00 O ATOM 957 CG2 THR A 69 14.484 4.297 -6.393 1.00 0.00 C ATOM 0 H THR A 69 13.188 7.362 -7.078 1.00 0.00 H new ATOM 0 HA THR A 69 15.642 7.448 -5.601 1.00 0.00 H new ATOM 0 HB THR A 69 14.359 5.428 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.938 5.751 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.478 3.330 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.470 4.551 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 69 15.129 4.245 -7.270 1.00 0.00 H new ATOM 965 N THR A 70 16.894 6.155 -7.626 1.00 0.00 N ATOM 966 CA THR A 70 17.574 5.956 -8.946 1.00 0.00 C ATOM 967 C THR A 70 17.550 4.467 -9.296 1.00 0.00 C ATOM 968 O THR A 70 18.418 3.967 -9.984 1.00 0.00 O ATOM 969 CB THR A 70 19.029 6.420 -8.832 1.00 0.00 C ATOM 970 OG1 THR A 70 19.569 5.978 -7.596 1.00 0.00 O ATOM 971 CG2 THR A 70 19.086 7.948 -8.896 1.00 0.00 C ATOM 0 H THR A 70 17.476 5.948 -6.815 1.00 0.00 H new ATOM 0 HA THR A 70 17.062 6.528 -9.720 1.00 0.00 H new ATOM 0 HB THR A 70 19.609 6.001 -9.654 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.501 6.273 -7.522 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.122 8.277 -8.815 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.670 8.288 -9.845 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.506 8.368 -8.074 1.00 0.00 H new ATOM 1123 N GLU A 82 19.910 4.603 -3.995 1.00 0.00 N ATOM 1124 CA GLU A 82 19.593 5.792 -3.154 1.00 0.00 C ATOM 1125 C GLU A 82 18.307 6.454 -3.657 1.00 0.00 C ATOM 1126 O GLU A 82 18.034 6.488 -4.846 1.00 0.00 O ATOM 1127 CB GLU A 82 20.740 6.802 -3.231 1.00 0.00 C ATOM 1128 CG GLU A 82 22.067 6.102 -2.922 1.00 0.00 C ATOM 1129 CD GLU A 82 22.099 5.695 -1.448 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.068 5.791 -0.805 1.00 0.00 O ATOM 1131 OE2 GLU A 82 23.156 5.294 -0.988 1.00 0.00 O ATOM 0 HA GLU A 82 19.459 5.469 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.777 7.250 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.572 7.613 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.182 5.223 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 82 22.901 6.767 -3.145 1.00 0.00 H new ATOM 1138 N PHE A 83 17.523 6.987 -2.754 1.00 0.00 N ATOM 1139 CA PHE A 83 16.236 7.655 -3.172 1.00 0.00 C ATOM 1140 C PHE A 83 16.515 8.892 -4.045 1.00 0.00 C ATOM 1141 O PHE A 83 15.598 9.558 -4.478 1.00 0.00 O ATOM 1142 CB PHE A 83 15.380 8.094 -1.963 1.00 0.00 C ATOM 1143 CG PHE A 83 14.824 6.866 -1.259 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.651 6.065 -0.460 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.469 6.526 -1.415 1.00 0.00 C ATOM 1146 CE1 PHE A 83 15.126 4.934 0.181 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.949 5.396 -0.773 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.775 4.600 0.025 1.00 0.00 C ATOM 0 H PHE A 83 17.710 6.993 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 83 15.681 6.909 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 83 15.984 8.680 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.564 8.735 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.694 6.319 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.828 7.138 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.765 4.319 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.907 5.139 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.372 3.729 0.520 1.00 0.00 H new ATOM 1158 N HIS A 84 17.759 9.207 -4.301 1.00 0.00 N ATOM 1159 CA HIS A 84 18.088 10.398 -5.143 1.00 0.00 C ATOM 1160 C HIS A 84 17.907 11.674 -4.316 1.00 0.00 C ATOM 1161 O HIS A 84 17.058 11.741 -3.452 1.00 0.00 O ATOM 1162 CB HIS A 84 17.169 10.455 -6.370 1.00 0.00 C ATOM 1163 CG HIS A 84 17.663 11.515 -7.314 1.00 0.00 C ATOM 1164 ND1 HIS A 84 18.548 11.235 -8.343 1.00 0.00 N ATOM 1165 CD2 HIS A 84 17.402 12.862 -7.399 1.00 0.00 C ATOM 1166 CE1 HIS A 84 18.787 12.388 -8.997 1.00 0.00 C ATOM 1167 NE2 HIS A 84 18.112 13.410 -8.463 1.00 0.00 N ATOM 0 H HIS A 84 18.567 8.686 -3.960 1.00 0.00 H new ATOM 0 HA HIS A 84 19.122 10.316 -5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 84 17.151 9.487 -6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 84 16.146 10.674 -6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 84 16.746 13.411 -6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.444 12.476 -9.849 1.00 0.00 H new ATOM 0 HE2 HIS A 84 18.116 14.383 -8.769 1.00 0.00 H new ATOM 1258 N LYS A 91 13.883 13.430 -0.407 1.00 0.00 N ATOM 1259 CA LYS A 91 12.441 13.688 -0.251 1.00 0.00 C ATOM 1260 C LYS A 91 11.817 12.464 0.404 1.00 0.00 C ATOM 1261 O LYS A 91 12.344 11.929 1.352 1.00 0.00 O ATOM 1262 CB LYS A 91 11.837 13.939 -1.638 1.00 0.00 C ATOM 1263 CG LYS A 91 12.668 14.994 -2.373 1.00 0.00 C ATOM 1264 CD LYS A 91 12.040 15.279 -3.739 1.00 0.00 C ATOM 1265 CE LYS A 91 12.741 14.439 -4.809 1.00 0.00 C ATOM 1266 NZ LYS A 91 11.740 13.584 -5.506 1.00 0.00 N ATOM 0 HA LYS A 91 12.253 14.563 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.817 13.012 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.805 14.276 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.715 15.910 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.692 14.643 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.976 15.045 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.129 16.339 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.242 15.089 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.510 13.817 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.226 12.792 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.059 13.212 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.235 14.150 -6.218 1.00 0.00 H new ATOM 1280 N TYR A 92 10.712 12.039 -0.112 1.00 0.00 N ATOM 1281 CA TYR A 92 9.980 10.844 0.420 1.00 0.00 C ATOM 1282 C TYR A 92 8.484 11.041 0.158 1.00 0.00 C ATOM 1283 O TYR A 92 8.058 12.098 -0.263 1.00 0.00 O ATOM 1284 CB TYR A 92 10.202 10.689 1.924 1.00 0.00 C ATOM 1285 CG TYR A 92 11.427 9.800 2.187 1.00 0.00 C ATOM 1286 CD1 TYR A 92 11.667 8.648 1.409 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.346 10.142 3.202 1.00 0.00 C ATOM 1288 CE1 TYR A 92 12.799 7.859 1.651 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.474 9.346 3.433 1.00 0.00 C ATOM 1290 CZ TYR A 92 13.699 8.207 2.658 1.00 0.00 C ATOM 1291 OH TYR A 92 14.814 7.427 2.887 1.00 0.00 O ATOM 0 H TYR A 92 10.259 12.480 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 92 10.353 9.949 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.348 11.668 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.318 10.250 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.977 8.374 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.178 11.023 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.976 6.976 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.172 9.614 4.213 1.00 0.00 H new ATOM 0 HH TYR A 92 14.901 6.763 2.172 1.00 0.00 H new ATOM 1301 N THR A 93 7.680 10.041 0.400 1.00 0.00 N ATOM 1302 CA THR A 93 6.218 10.199 0.154 1.00 0.00 C ATOM 1303 C THR A 93 5.428 9.182 0.982 1.00 0.00 C ATOM 1304 O THR A 93 5.562 7.987 0.811 1.00 0.00 O ATOM 1305 CB THR A 93 5.928 9.979 -1.334 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.126 9.604 -1.998 1.00 0.00 O ATOM 1307 CG2 THR A 93 5.384 11.271 -1.946 1.00 0.00 C ATOM 0 H THR A 93 7.969 9.129 0.754 1.00 0.00 H new ATOM 0 HA THR A 93 5.915 11.204 0.446 1.00 0.00 H new ATOM 0 HB THR A 93 5.188 9.187 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.386 8.701 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.178 11.114 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.464 11.556 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.122 12.065 -1.834 1.00 0.00 H new ATOM 1315 N THR A 94 4.594 9.649 1.872 1.00 0.00 N ATOM 1316 CA THR A 94 3.781 8.716 2.706 1.00 0.00 C ATOM 1317 C THR A 94 2.453 8.441 1.987 1.00 0.00 C ATOM 1318 O THR A 94 1.959 9.274 1.254 1.00 0.00 O ATOM 1319 CB THR A 94 3.517 9.361 4.076 1.00 0.00 C ATOM 1320 OG1 THR A 94 3.104 8.362 4.997 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.420 10.423 3.951 1.00 0.00 C ATOM 0 H THR A 94 4.440 10.640 2.058 1.00 0.00 H new ATOM 0 HA THR A 94 4.315 7.777 2.853 1.00 0.00 H new ATOM 0 HB THR A 94 4.433 9.832 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.937 8.772 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.239 10.875 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.737 11.193 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.503 9.958 3.591 1.00 0.00 H new ATOM 1329 N CYS A 95 1.861 7.288 2.186 1.00 0.00 N ATOM 1330 CA CYS A 95 0.563 7.005 1.497 1.00 0.00 C ATOM 1331 C CYS A 95 -0.246 6.035 2.356 1.00 0.00 C ATOM 1332 O CYS A 95 0.286 5.396 3.238 1.00 0.00 O ATOM 1333 CB CYS A 95 0.822 6.378 0.112 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.750 6.136 -0.751 1.00 0.00 S ATOM 0 H CYS A 95 2.213 6.542 2.786 1.00 0.00 H new ATOM 0 HA CYS A 95 0.011 7.935 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.474 7.025 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.337 5.424 0.224 1.00 0.00 H new ATOM 1339 N THR A 96 -1.526 5.915 2.124 1.00 0.00 N ATOM 1340 CA THR A 96 -2.330 4.974 2.952 1.00 0.00 C ATOM 1341 C THR A 96 -3.365 4.264 2.077 1.00 0.00 C ATOM 1342 O THR A 96 -4.319 4.859 1.626 1.00 0.00 O ATOM 1343 CB THR A 96 -3.041 5.747 4.067 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.139 6.684 4.640 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.516 4.770 5.144 1.00 0.00 C ATOM 0 H THR A 96 -2.043 6.422 1.406 1.00 0.00 H new ATOM 0 HA THR A 96 -1.666 4.231 3.394 1.00 0.00 H new ATOM 0 HB THR A 96 -3.900 6.275 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.592 7.181 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.022 5.321 5.937 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.207 4.051 4.704 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.658 4.241 5.560 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.182 2.993 1.828 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.161 2.257 0.972 1.00 0.00 C ATOM 1355 C PHE A 97 -5.454 2.011 1.747 1.00 0.00 C ATOM 1356 O PHE A 97 -5.455 1.895 2.956 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.609 0.887 0.561 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.200 0.987 0.031 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.613 2.231 -0.229 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.479 -0.188 -0.204 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.306 2.295 -0.726 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.173 -0.127 -0.694 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.416 1.114 -0.958 1.00 0.00 C ATOM 0 H PHE A 97 -2.403 2.436 2.177 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.344 2.868 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.628 0.215 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.254 0.449 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.168 3.140 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.934 -1.147 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.147 3.254 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.382 -1.037 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.425 1.163 -1.340 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.551 1.889 1.052 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.840 1.602 1.733 1.00 0.00 C ATOM 1375 C VAL A 98 -8.576 0.542 0.909 1.00 0.00 C ATOM 1376 O VAL A 98 -8.991 0.791 -0.205 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.681 2.878 1.821 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.094 2.527 2.287 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.040 3.845 2.818 1.00 0.00 C ATOM 0 H VAL A 98 -6.608 1.977 0.037 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.665 1.241 2.746 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.729 3.349 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.693 3.436 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.551 1.839 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.047 2.055 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.639 4.753 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.990 3.375 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.033 4.097 2.485 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.713 -0.651 1.425 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.385 -1.724 0.637 1.00 0.00 C ATOM 1391 C VAL A 99 -10.811 -1.961 1.132 1.00 0.00 C ATOM 1392 O VAL A 99 -11.213 -1.495 2.177 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.588 -3.019 0.780 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -9.096 -4.040 -0.241 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -7.106 -2.741 0.529 1.00 0.00 C ATOM 0 H VAL A 99 -8.391 -0.927 2.352 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.428 -1.411 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.714 -3.414 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.530 -4.966 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.152 -4.240 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.968 -3.642 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.540 -3.667 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.975 -2.346 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.745 -2.012 1.254 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.575 -2.698 0.372 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.973 -3.003 0.762 1.00 0.00 C ATOM 1407 C TYR A 100 -13.182 -4.513 0.602 1.00 0.00 C ATOM 1408 O TYR A 100 -12.722 -5.099 -0.357 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.905 -2.249 -0.168 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.119 -1.702 0.618 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.442 -2.196 1.909 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -15.928 -0.688 0.067 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.540 -1.679 2.608 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.022 -0.182 0.776 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.326 -0.676 2.043 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.406 -0.173 2.740 1.00 0.00 O ATOM 0 H TYR A 100 -11.281 -3.106 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.175 -2.706 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.370 -1.427 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -14.247 -2.909 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.839 -2.974 2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -15.700 -0.297 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.779 -2.059 3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -17.633 0.594 0.340 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.794 -0.880 3.296 1.00 0.00 H new ATOM 1426 N SER A 101 -13.847 -5.162 1.520 1.00 0.00 N ATOM 1427 CA SER A 101 -14.026 -6.634 1.368 1.00 0.00 C ATOM 1428 C SER A 101 -15.296 -7.106 2.080 1.00 0.00 C ATOM 1429 O SER A 101 -15.448 -6.941 3.276 1.00 0.00 O ATOM 1430 CB SER A 101 -12.818 -7.355 1.969 1.00 0.00 C ATOM 1431 OG SER A 101 -12.926 -8.749 1.723 1.00 0.00 O ATOM 0 H SER A 101 -14.266 -4.747 2.352 1.00 0.00 H new ATOM 0 HA SER A 101 -14.114 -6.864 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.897 -6.969 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.766 -7.167 3.041 1.00 0.00 H new ATOM 0 HG SER A 101 -12.151 -9.210 2.107 1.00 0.00 H new ATOM 1437 N ILE A 102 -16.201 -7.710 1.354 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.452 -8.215 1.983 1.00 0.00 C ATOM 1439 C ILE A 102 -18.116 -9.219 1.023 1.00 0.00 C ATOM 1440 O ILE A 102 -18.713 -8.815 0.041 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.435 -7.068 2.233 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.710 -5.717 2.159 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -19.082 -7.243 3.621 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -18.736 -4.581 2.163 1.00 0.00 C ATOM 0 H ILE A 102 -16.125 -7.874 0.350 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.201 -8.685 2.934 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.209 -7.087 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.032 -5.610 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -17.102 -5.668 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.782 -6.427 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.615 -8.193 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -18.307 -7.232 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -18.218 -3.623 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -19.397 -4.684 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.325 -4.626 3.079 1.00 0.00 H new ATOM 1456 N PRO A 103 -18.004 -10.493 1.317 1.00 0.00 N ATOM 1457 CA PRO A 103 -18.601 -11.573 0.477 1.00 0.00 C ATOM 1458 C PRO A 103 -20.061 -11.805 0.891 1.00 0.00 C ATOM 1459 O PRO A 103 -20.790 -12.545 0.259 1.00 0.00 O ATOM 1460 CB PRO A 103 -17.742 -12.785 0.822 1.00 0.00 C ATOM 1461 CG PRO A 103 -17.139 -12.535 2.201 1.00 0.00 C ATOM 1462 CD PRO A 103 -17.278 -11.040 2.513 1.00 0.00 C ATOM 0 HA PRO A 103 -18.613 -11.349 -0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.343 -13.694 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.957 -12.924 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.652 -13.131 2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -16.091 -12.832 2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.839 -10.873 3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.305 -10.566 2.642 1.00 0.00 H new ATOM 1470 N TRP A 104 -20.476 -11.207 1.982 1.00 0.00 N ATOM 1471 CA TRP A 104 -21.890 -11.435 2.473 1.00 0.00 C ATOM 1472 C TRP A 104 -22.960 -10.697 1.662 1.00 0.00 C ATOM 1473 O TRP A 104 -24.133 -10.962 1.828 1.00 0.00 O ATOM 1474 CB TRP A 104 -22.029 -11.063 3.960 1.00 0.00 C ATOM 1475 CG TRP A 104 -22.477 -9.634 4.203 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -23.275 -9.301 5.238 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -22.190 -8.355 3.502 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -23.472 -7.944 5.246 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.835 -7.317 4.217 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -21.454 -7.974 2.359 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.750 -5.981 3.836 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.374 -6.615 1.973 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.018 -5.626 2.718 1.00 0.00 C ATOM 0 H TRP A 104 -19.912 -10.577 2.553 1.00 0.00 H new ATOM 0 HA TRP A 104 -22.067 -12.502 2.336 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -22.743 -11.741 4.427 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -21.070 -11.221 4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -23.694 -9.996 5.951 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -24.033 -7.457 5.945 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.947 -8.727 1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.256 -5.222 4.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.810 -6.341 1.094 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.945 -4.590 2.423 1.00 0.00 H new ATOM 1494 N LEU A 105 -22.616 -9.794 0.798 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.671 -9.111 0.036 1.00 0.00 C ATOM 1496 C LEU A 105 -23.115 -8.671 -1.328 1.00 0.00 C ATOM 1497 O LEU A 105 -23.669 -7.804 -1.971 1.00 0.00 O ATOM 1498 CB LEU A 105 -24.159 -7.897 0.828 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.925 -8.338 2.096 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -25.314 -7.111 2.908 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -26.188 -9.102 1.690 1.00 0.00 C ATOM 0 H LEU A 105 -21.660 -9.505 0.591 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.509 -9.789 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.309 -7.276 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -24.807 -7.285 0.201 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.287 -8.984 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.854 -7.423 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.415 -6.567 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -25.952 -6.464 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.728 -9.413 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.826 -8.456 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.910 -9.982 1.109 1.00 0.00 H new ATOM 1513 N ASN A 106 -22.025 -9.268 -1.774 1.00 0.00 N ATOM 1514 CA ASN A 106 -21.431 -8.898 -3.096 1.00 0.00 C ATOM 1515 C ASN A 106 -20.572 -7.640 -2.955 1.00 0.00 C ATOM 1516 O ASN A 106 -20.945 -6.578 -3.414 1.00 0.00 O ATOM 1517 CB ASN A 106 -22.529 -8.630 -4.142 1.00 0.00 C ATOM 1518 CG ASN A 106 -21.880 -8.474 -5.518 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -21.390 -7.413 -5.853 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -21.854 -9.490 -6.335 1.00 0.00 N ATOM 0 H ASN A 106 -21.523 -10.000 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 106 -20.817 -9.736 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -23.245 -9.452 -4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -23.083 -7.728 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.423 -9.394 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.265 -10.381 -6.055 1.00 0.00 H new ATOM 1527 N GLN A 107 -19.410 -7.736 -2.352 1.00 0.00 N ATOM 1528 CA GLN A 107 -18.556 -6.511 -2.241 1.00 0.00 C ATOM 1529 C GLN A 107 -17.090 -6.858 -2.073 1.00 0.00 C ATOM 1530 O GLN A 107 -16.714 -7.898 -1.569 1.00 0.00 O ATOM 1531 CB GLN A 107 -19.007 -5.617 -1.091 1.00 0.00 C ATOM 1532 CG GLN A 107 -18.943 -4.155 -1.536 1.00 0.00 C ATOM 1533 CD GLN A 107 -20.222 -3.800 -2.297 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -20.269 -3.895 -3.507 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -21.270 -3.395 -1.634 1.00 0.00 N ATOM 0 H GLN A 107 -19.024 -8.586 -1.942 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.676 -5.966 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -20.023 -5.874 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.369 -5.773 -0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.830 -3.504 -0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -18.072 -3.994 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -21.231 -3.315 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -22.128 -3.158 -2.132 1.00 0.00 H new ATOM 1544 N ILE A 108 -16.277 -5.956 -2.524 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.801 -6.117 -2.473 1.00 0.00 C ATOM 1546 C ILE A 108 -14.212 -5.104 -3.463 1.00 0.00 C ATOM 1547 O ILE A 108 -14.457 -5.187 -4.651 1.00 0.00 O ATOM 1548 CB ILE A 108 -14.438 -7.567 -2.869 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -13.694 -8.237 -1.714 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -13.548 -7.591 -4.112 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -12.434 -7.431 -1.389 1.00 0.00 C ATOM 0 H ILE A 108 -16.585 -5.078 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.401 -5.937 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 108 -15.362 -8.103 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.338 -8.296 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -13.427 -9.259 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.308 -8.623 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.073 -7.123 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.627 -7.044 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.901 -7.906 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.789 -7.395 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.714 -6.417 -1.103 1.00 0.00 H new ATOM 1563 N LYS A 109 -13.465 -4.137 -3.008 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.920 -3.142 -3.972 1.00 0.00 C ATOM 1565 C LYS A 109 -11.596 -2.557 -3.478 1.00 0.00 C ATOM 1566 O LYS A 109 -10.998 -3.027 -2.530 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.932 -2.010 -4.147 1.00 0.00 C ATOM 1568 CG LYS A 109 -14.749 -2.251 -5.417 1.00 0.00 C ATOM 1569 CD LYS A 109 -15.030 -0.913 -6.103 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.767 -1.163 -7.419 1.00 0.00 C ATOM 1571 NZ LYS A 109 -15.064 -0.450 -8.524 1.00 0.00 N ATOM 0 H LYS A 109 -13.212 -3.994 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.740 -3.646 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.592 -1.960 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.416 -1.052 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.205 -2.911 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.686 -2.750 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.630 -0.277 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.095 -0.385 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.807 -2.232 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.797 -0.814 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.564 -0.619 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.048 0.570 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.089 -0.803 -8.600 1.00 0.00 H new ATOM 1585 N LEU A 110 -11.148 -1.517 -4.130 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.884 -0.854 -3.754 1.00 0.00 C ATOM 1587 C LEU A 110 -10.127 0.657 -3.772 1.00 0.00 C ATOM 1588 O LEU A 110 -9.910 1.320 -4.766 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.807 -1.207 -4.777 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.488 -0.502 -4.432 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.261 -0.522 -2.918 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -6.333 -1.229 -5.123 1.00 0.00 C ATOM 0 H LEU A 110 -11.625 -1.095 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.557 -1.178 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.655 -2.286 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.134 -0.913 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.536 0.532 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.323 -0.019 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.082 -0.007 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.216 -1.554 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.394 -0.732 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.296 -2.263 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.485 -1.211 -6.202 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.596 1.190 -2.685 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.892 2.640 -2.598 1.00 0.00 C ATOM 1606 C LEU A 111 -9.828 3.430 -3.353 1.00 0.00 C ATOM 1607 O LEU A 111 -10.097 4.030 -4.375 1.00 0.00 O ATOM 1608 CB LEU A 111 -10.896 3.039 -1.124 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.064 3.987 -0.840 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -12.102 5.098 -1.891 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -13.376 3.199 -0.878 1.00 0.00 C ATOM 0 H LEU A 111 -10.791 0.667 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.863 2.856 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.978 2.150 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.954 3.523 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.933 4.435 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.936 5.768 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.168 5.660 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.229 4.659 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -14.210 3.871 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -13.502 2.750 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.351 2.414 -0.122 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.618 3.429 -2.871 1.00 0.00 N ATOM 1624 CA GLU A 112 -7.546 4.182 -3.594 1.00 0.00 C ATOM 1625 C GLU A 112 -6.321 4.349 -2.695 1.00 0.00 C ATOM 1626 O GLU A 112 -6.231 3.770 -1.630 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.067 5.574 -3.997 1.00 0.00 C ATOM 1628 CG GLU A 112 -9.022 6.091 -2.921 1.00 0.00 C ATOM 1629 CD GLU A 112 -8.662 7.538 -2.573 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -7.519 7.775 -2.222 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -9.536 8.385 -2.666 1.00 0.00 O ATOM 0 H GLU A 112 -8.323 2.949 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.267 3.620 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.233 6.265 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.580 5.518 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.051 6.036 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.958 5.465 -2.031 1.00 0.00 H new ATOM 1638 N SER A 113 -5.374 5.138 -3.125 1.00 0.00 N ATOM 1639 CA SER A 113 -4.147 5.350 -2.309 1.00 0.00 C ATOM 1640 C SER A 113 -4.196 6.739 -1.666 1.00 0.00 C ATOM 1641 O SER A 113 -3.859 7.734 -2.277 1.00 0.00 O ATOM 1642 CB SER A 113 -2.910 5.233 -3.208 1.00 0.00 C ATOM 1643 OG SER A 113 -2.598 6.502 -3.763 1.00 0.00 O ATOM 0 H SER A 113 -5.399 5.646 -4.009 1.00 0.00 H new ATOM 0 HA SER A 113 -4.093 4.595 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.064 4.860 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.095 4.513 -4.005 1.00 0.00 H new ATOM 0 HG SER A 113 -2.386 7.131 -3.042 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.620 6.812 -0.436 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.698 8.127 0.256 1.00 0.00 C ATOM 1651 C LYS A 114 -3.279 8.607 0.609 1.00 0.00 C ATOM 1652 O LYS A 114 -2.784 8.339 1.687 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.509 7.970 1.544 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.970 7.677 1.195 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.857 7.996 2.400 1.00 0.00 C ATOM 1656 CE LYS A 114 -9.158 8.645 1.922 1.00 0.00 C ATOM 1657 NZ LYS A 114 -9.864 7.716 0.995 1.00 0.00 N ATOM 0 H LYS A 114 -4.918 6.012 0.123 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.178 8.855 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.099 7.161 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.442 8.879 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.277 8.274 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.085 6.630 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.076 7.084 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.334 8.666 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.795 8.879 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.943 9.587 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.856 8.012 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.402 7.738 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.827 6.750 1.377 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.609 9.304 -0.280 1.00 0.00 N ATOM 1672 CA CYS A 115 -1.229 9.782 0.039 1.00 0.00 C ATOM 1673 C CYS A 115 -1.156 11.296 -0.164 1.00 0.00 C ATOM 1674 O CYS A 115 -1.899 11.865 -0.939 1.00 0.00 O ATOM 1675 CB CYS A 115 -0.184 9.100 -0.866 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.944 7.802 -1.879 1.00 0.00 S ATOM 0 H CYS A 115 -2.956 9.560 -1.204 1.00 0.00 H new ATOM 0 HA CYS A 115 -1.009 9.529 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.282 9.844 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.608 8.670 -0.252 1.00 0.00 H new ATOM 1681 N GLN A 116 -0.265 11.956 0.528 1.00 0.00 N ATOM 1682 CA GLN A 116 -0.145 13.429 0.376 1.00 0.00 C ATOM 1683 C GLN A 116 0.965 13.947 1.295 1.00 0.00 C ATOM 1684 CB GLN A 116 -1.477 14.086 0.753 1.00 0.00 C ATOM 1685 CG GLN A 116 -1.649 14.074 2.274 1.00 0.00 C ATOM 1686 CD GLN A 116 -3.141 14.051 2.617 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -3.866 13.184 2.173 1.00 0.00 O ATOM 1688 NE2 GLN A 116 -3.632 14.977 3.395 1.00 0.00 N ATOM 0 H GLN A 116 0.384 11.534 1.192 1.00 0.00 H new ATOM 0 HA GLN A 116 0.100 13.674 -0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -1.505 15.111 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -2.302 13.554 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -1.153 13.202 2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -1.178 14.954 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.023 15.705 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -4.625 14.972 3.630 1.00 0.00 H new