USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 832 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 84 ASN : amide:sc= -1.27 K(o=-2.7,f=-3.2!) USER MOD Set 1.2: A 102 THR OG1 : rot 160:sc= -1.4 USER MOD Set 2.1: A 63 HIS : no HE2:sc= -2.13 K(o=-5.7,f=-4.7) USER MOD Set 2.2: A 79 TYR OH : rot 160:sc= -3.55! USER MOD Set 3.1: A 55 THR OG1 : rot 168:sc= -6.36! USER MOD Set 3.2: A 57 GLN : amide:sc= -0.433 K(o=-6.8,f=-10!) USER MOD Set 4.1: A 5 SER OG : rot 180:sc= -0.299 USER MOD Set 4.2: A 14 HIS : no HD1:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 1 VAL N :NH3+ -148:sc= -0.213 (180deg=-1.38!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.04 K(o=-1,f=-0.12) USER MOD Single : A 8 SER OG : rot 180:sc= 0.202 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 15 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -30:sc= 0.195 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 25 SER OG : rot -60:sc= -0.776 USER MOD Single : A 28 THR OG1 : rot 87:sc= 0.145 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 30 SER OG : rot 180:sc= -0.0706 USER MOD Single : A 32 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 60:sc= -6.91! USER MOD Single : A 40 ASN : amide:sc=-0.00598 X(o=-0.006,f=0.084) USER MOD Single : A 41 SER OG : rot 180:sc= -0.233 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.02! C(o=-3!,f=-9.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -39:sc= 0.192 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= -0.336 (180deg=-2.02!) USER MOD Single : A 78 SER OG : rot 180:sc=-0.00944 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0619! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.7 K(o=-2.7,f=-6.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -156:sc= -3.36! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 63:sc= 1.15 USER MOD Single : A 101 SER OG : rot 93:sc= -0.122! USER MOD Single : A 104 SER OG : rot 180:sc= -1.37! USER MOD Single : A 107 ASN : amide:sc= -6.62! C(o=-6.6!,f=-7.1!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.23! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.711 10.933 28.900 1.00 0.00 N ATOM 2 CA VAL A 1 -10.533 10.299 27.561 1.00 0.00 C ATOM 3 C VAL A 1 -11.078 8.869 27.577 1.00 0.00 C ATOM 4 O VAL A 1 -10.358 7.923 27.831 1.00 0.00 O ATOM 5 CB VAL A 1 -9.023 10.295 27.324 1.00 0.00 C ATOM 6 CG1 VAL A 1 -8.724 9.721 25.938 1.00 0.00 C ATOM 7 CG2 VAL A 1 -8.489 11.727 27.408 1.00 0.00 C ATOM 0 H1 VAL A 1 -10.867 11.954 28.782 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.532 10.510 29.378 1.00 0.00 H new ATOM 0 H3 VAL A 1 -9.858 10.777 29.474 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.068 10.833 26.776 1.00 0.00 H new ATOM 0 HB VAL A 1 -8.539 9.681 28.083 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.647 9.719 25.770 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -9.103 8.701 25.877 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -9.208 10.334 25.178 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.412 11.724 27.239 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -8.974 12.341 26.649 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -8.700 12.137 28.396 1.00 0.00 H new ATOM 19 N LYS A 2 -12.345 8.701 27.309 1.00 0.00 N ATOM 20 CA LYS A 2 -12.932 7.330 27.315 1.00 0.00 C ATOM 21 C LYS A 2 -13.370 6.925 25.904 1.00 0.00 C ATOM 22 O LYS A 2 -13.352 7.717 24.982 1.00 0.00 O ATOM 23 CB LYS A 2 -14.144 7.423 28.242 1.00 0.00 C ATOM 24 CG LYS A 2 -14.145 6.232 29.204 1.00 0.00 C ATOM 25 CD LYS A 2 -15.065 6.532 30.391 1.00 0.00 C ATOM 26 CE LYS A 2 -16.197 5.502 30.432 1.00 0.00 C ATOM 27 NZ LYS A 2 -16.156 4.941 31.811 1.00 0.00 N ATOM 0 H LYS A 2 -12.998 9.452 27.087 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.214 6.580 27.649 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.115 8.357 28.803 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.063 7.431 27.656 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.483 5.334 28.687 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.132 6.035 29.556 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.498 6.502 31.321 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.477 7.537 30.301 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.161 5.966 30.223 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.049 4.723 29.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.904 4.226 31.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.229 4.500 31.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.306 5.704 32.501 1.00 0.00 H new ATOM 41 N CYS A 3 -13.768 5.694 25.736 1.00 0.00 N ATOM 42 CA CYS A 3 -14.214 5.221 24.393 1.00 0.00 C ATOM 43 C CYS A 3 -15.624 4.635 24.491 1.00 0.00 C ATOM 44 O CYS A 3 -15.803 3.440 24.621 1.00 0.00 O ATOM 45 CB CYS A 3 -13.210 4.138 24.003 1.00 0.00 C ATOM 46 SG CYS A 3 -12.062 4.793 22.771 1.00 0.00 S ATOM 0 H CYS A 3 -13.804 4.991 26.474 1.00 0.00 H new ATOM 0 HA CYS A 3 -14.250 6.025 23.658 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -12.662 3.802 24.883 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -13.733 3.270 23.602 1.00 0.00 H new ATOM 51 N GLN A 4 -16.626 5.468 24.436 1.00 0.00 N ATOM 52 CA GLN A 4 -18.022 4.958 24.533 1.00 0.00 C ATOM 53 C GLN A 4 -18.313 3.980 23.394 1.00 0.00 C ATOM 54 O GLN A 4 -17.505 3.780 22.509 1.00 0.00 O ATOM 55 CB GLN A 4 -18.905 6.198 24.416 1.00 0.00 C ATOM 56 CG GLN A 4 -18.644 7.122 25.608 1.00 0.00 C ATOM 57 CD GLN A 4 -18.545 8.569 25.118 1.00 0.00 C ATOM 58 OE1 GLN A 4 -17.864 9.379 25.716 1.00 0.00 O ATOM 59 NE2 GLN A 4 -19.200 8.930 24.048 1.00 0.00 N ATOM 0 H GLN A 4 -16.539 6.479 24.328 1.00 0.00 H new ATOM 0 HA GLN A 4 -18.199 4.418 25.463 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.694 6.721 23.483 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.956 5.909 24.389 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.448 7.028 26.338 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.721 6.833 26.111 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.771 8.250 23.546 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.140 9.892 23.714 1.00 0.00 H new ATOM 68 N SER A 5 -19.464 3.369 23.414 1.00 0.00 N ATOM 69 CA SER A 5 -19.816 2.399 22.336 1.00 0.00 C ATOM 70 C SER A 5 -19.500 2.997 20.963 1.00 0.00 C ATOM 71 O SER A 5 -19.650 4.184 20.754 1.00 0.00 O ATOM 72 CB SER A 5 -21.319 2.168 22.488 1.00 0.00 C ATOM 73 OG SER A 5 -22.014 2.974 21.546 1.00 0.00 O ATOM 0 H SER A 5 -20.178 3.498 24.131 1.00 0.00 H new ATOM 0 HA SER A 5 -19.251 1.470 22.415 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.555 1.116 22.328 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.636 2.416 23.501 1.00 0.00 H new ATOM 0 HG SER A 5 -22.979 2.828 21.639 1.00 0.00 H new ATOM 79 N PRO A 6 -19.067 2.148 20.071 1.00 0.00 N ATOM 80 CA PRO A 6 -18.717 2.592 18.697 1.00 0.00 C ATOM 81 C PRO A 6 -19.976 2.950 17.902 1.00 0.00 C ATOM 82 O PRO A 6 -21.056 2.496 18.210 1.00 0.00 O ATOM 83 CB PRO A 6 -18.036 1.368 18.095 1.00 0.00 C ATOM 84 CG PRO A 6 -18.587 0.210 18.855 1.00 0.00 C ATOM 85 CD PRO A 6 -18.859 0.706 20.253 1.00 0.00 C ATOM 0 HA PRO A 6 -18.090 3.483 18.686 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -18.251 1.280 17.030 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.953 1.428 18.197 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -19.501 -0.160 18.390 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -17.878 -0.618 18.868 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.736 0.225 20.686 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.022 0.502 20.921 1.00 0.00 H new ATOM 93 N PRO A 7 -19.784 3.754 16.894 1.00 0.00 N ATOM 94 CA PRO A 7 -20.912 4.176 16.028 1.00 0.00 C ATOM 95 C PRO A 7 -21.295 3.046 15.066 1.00 0.00 C ATOM 96 O PRO A 7 -20.617 2.042 14.971 1.00 0.00 O ATOM 97 CB PRO A 7 -20.344 5.366 15.261 1.00 0.00 C ATOM 98 CG PRO A 7 -18.861 5.158 15.256 1.00 0.00 C ATOM 99 CD PRO A 7 -18.511 4.344 16.476 1.00 0.00 C ATOM 0 HA PRO A 7 -21.815 4.423 16.587 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -20.740 5.405 14.246 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -20.608 6.307 15.743 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -18.550 4.641 14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.340 6.115 15.272 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.774 3.576 16.244 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.085 4.968 17.262 1.00 0.00 H new ATOM 107 N SER A 8 -22.374 3.204 14.349 1.00 0.00 N ATOM 108 CA SER A 8 -22.797 2.142 13.387 1.00 0.00 C ATOM 109 C SER A 8 -21.876 2.149 12.166 1.00 0.00 C ATOM 110 O SER A 8 -21.009 2.990 12.038 1.00 0.00 O ATOM 111 CB SER A 8 -24.227 2.510 12.981 1.00 0.00 C ATOM 112 OG SER A 8 -24.619 3.706 13.643 1.00 0.00 O ATOM 0 H SER A 8 -22.982 4.022 14.386 1.00 0.00 H new ATOM 0 HA SER A 8 -22.746 1.145 13.825 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.286 2.644 11.901 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.909 1.700 13.239 1.00 0.00 H new ATOM 0 HG SER A 8 -25.534 3.941 13.380 1.00 0.00 H new ATOM 118 N ILE A 9 -22.061 1.225 11.264 1.00 0.00 N ATOM 119 CA ILE A 9 -21.193 1.195 10.048 1.00 0.00 C ATOM 120 C ILE A 9 -21.983 0.828 8.808 1.00 0.00 C ATOM 121 O ILE A 9 -23.197 0.775 8.804 1.00 0.00 O ATOM 122 CB ILE A 9 -20.104 0.147 10.285 1.00 0.00 C ATOM 123 CG1 ILE A 9 -20.608 -0.996 11.174 1.00 0.00 C ATOM 124 CG2 ILE A 9 -18.907 0.824 10.928 1.00 0.00 C ATOM 125 CD1 ILE A 9 -20.381 -2.324 10.448 1.00 0.00 C ATOM 0 H ILE A 9 -22.770 0.493 11.313 1.00 0.00 H new ATOM 0 HA ILE A 9 -20.767 2.185 9.884 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.819 -0.288 9.327 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -20.081 -0.993 12.128 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -21.667 -0.863 11.395 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.123 0.087 11.103 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.531 1.604 10.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.206 1.267 11.878 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -20.736 -3.145 11.071 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -20.928 -2.321 9.505 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.317 -2.453 10.250 1.00 0.00 H new ATOM 137 N SER A 10 -21.277 0.593 7.746 1.00 0.00 N ATOM 138 CA SER A 10 -21.935 0.246 6.465 1.00 0.00 C ATOM 139 C SER A 10 -23.045 -0.789 6.676 1.00 0.00 C ATOM 140 O SER A 10 -22.784 -1.957 6.879 1.00 0.00 O ATOM 141 CB SER A 10 -20.824 -0.331 5.591 1.00 0.00 C ATOM 142 OG SER A 10 -20.375 0.666 4.683 1.00 0.00 O ATOM 0 H SER A 10 -20.258 0.627 7.710 1.00 0.00 H new ATOM 0 HA SER A 10 -22.410 1.115 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.996 -0.672 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 10 -21.190 -1.199 5.043 1.00 0.00 H new ATOM 0 HG SER A 10 -19.660 0.299 4.122 1.00 0.00 H new ATOM 148 N ASN A 11 -24.282 -0.369 6.619 1.00 0.00 N ATOM 149 CA ASN A 11 -25.414 -1.327 6.807 1.00 0.00 C ATOM 150 C ASN A 11 -25.082 -2.344 7.901 1.00 0.00 C ATOM 151 O ASN A 11 -25.566 -3.459 7.892 1.00 0.00 O ATOM 152 CB ASN A 11 -25.565 -2.032 5.458 1.00 0.00 C ATOM 153 CG ASN A 11 -26.869 -1.589 4.792 1.00 0.00 C ATOM 154 OD1 ASN A 11 -27.166 -0.413 4.734 1.00 0.00 O ATOM 155 ND2 ASN A 11 -27.666 -2.489 4.282 1.00 0.00 N ATOM 0 H ASN A 11 -24.559 0.598 6.450 1.00 0.00 H new ATOM 0 HA ASN A 11 -26.329 -0.820 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -24.717 -1.795 4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -25.565 -3.113 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -28.538 -2.204 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -27.417 -3.477 4.330 1.00 0.00 H new ATOM 162 N GLY A 12 -24.259 -1.972 8.841 1.00 0.00 N ATOM 163 CA GLY A 12 -23.897 -2.921 9.929 1.00 0.00 C ATOM 164 C GLY A 12 -23.936 -2.192 11.270 1.00 0.00 C ATOM 165 O GLY A 12 -23.879 -0.979 11.330 1.00 0.00 O ATOM 0 H GLY A 12 -23.822 -1.052 8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -24.591 -3.762 9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.902 -3.330 9.754 1.00 0.00 H new ATOM 169 N ARG A 13 -24.034 -2.918 12.346 1.00 0.00 N ATOM 170 CA ARG A 13 -24.077 -2.261 13.683 1.00 0.00 C ATOM 171 C ARG A 13 -22.953 -2.790 14.570 1.00 0.00 C ATOM 172 O ARG A 13 -22.186 -3.648 14.180 1.00 0.00 O ATOM 173 CB ARG A 13 -25.441 -2.623 14.273 1.00 0.00 C ATOM 174 CG ARG A 13 -25.755 -4.092 13.985 1.00 0.00 C ATOM 175 CD ARG A 13 -27.100 -4.457 14.614 1.00 0.00 C ATOM 176 NE ARG A 13 -28.036 -4.585 13.465 1.00 0.00 N ATOM 177 CZ ARG A 13 -28.788 -5.643 13.354 1.00 0.00 C ATOM 178 NH1 ARG A 13 -29.161 -6.291 14.423 1.00 0.00 N ATOM 179 NH2 ARG A 13 -29.165 -6.054 12.175 1.00 0.00 N ATOM 0 H ARG A 13 -24.086 -3.937 12.360 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.944 -1.182 13.610 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -25.441 -2.445 15.348 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -26.214 -1.985 13.844 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -25.785 -4.265 12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -24.968 -4.729 14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -27.034 -5.389 15.176 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -27.432 -3.688 15.311 1.00 0.00 H new ATOM 0 HE ARG A 13 -28.089 -3.845 12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -28.864 -5.969 15.344 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -29.750 -7.120 14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -28.871 -5.547 11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -29.754 -6.882 12.088 1.00 0.00 H new ATOM 193 N HIS A 14 -22.850 -2.275 15.757 1.00 0.00 N ATOM 194 CA HIS A 14 -21.775 -2.730 16.682 1.00 0.00 C ATOM 195 C HIS A 14 -22.380 -3.238 17.992 1.00 0.00 C ATOM 196 O HIS A 14 -23.272 -2.633 18.552 1.00 0.00 O ATOM 197 CB HIS A 14 -20.930 -1.488 16.924 1.00 0.00 C ATOM 198 CG HIS A 14 -21.699 -0.503 17.756 1.00 0.00 C ATOM 199 ND1 HIS A 14 -21.433 -0.324 19.100 1.00 0.00 N ATOM 200 CD2 HIS A 14 -22.686 0.397 17.444 1.00 0.00 C ATOM 201 CE1 HIS A 14 -22.227 0.659 19.545 1.00 0.00 C ATOM 202 NE2 HIS A 14 -23.020 1.133 18.579 1.00 0.00 N ATOM 0 H HIS A 14 -23.466 -1.554 16.132 1.00 0.00 H new ATOM 0 HA HIS A 14 -21.190 -3.553 16.271 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -20.004 -1.760 17.430 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -20.652 -1.035 15.972 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -23.135 0.517 16.469 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -22.226 1.024 20.561 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -23.718 1.873 18.656 1.00 0.00 H new ATOM 210 N ASN A 15 -21.900 -4.347 18.481 1.00 0.00 N ATOM 211 CA ASN A 15 -22.445 -4.897 19.755 1.00 0.00 C ATOM 212 C ASN A 15 -21.303 -5.398 20.642 1.00 0.00 C ATOM 213 O ASN A 15 -21.191 -6.575 20.922 1.00 0.00 O ATOM 214 CB ASN A 15 -23.345 -6.058 19.331 1.00 0.00 C ATOM 215 CG ASN A 15 -24.806 -5.604 19.343 1.00 0.00 C ATOM 216 OD1 ASN A 15 -25.100 -4.475 19.684 1.00 0.00 O ATOM 217 ND2 ASN A 15 -25.740 -6.441 18.984 1.00 0.00 N ATOM 0 H ASN A 15 -21.154 -4.897 18.054 1.00 0.00 H new ATOM 0 HA ASN A 15 -22.990 -4.149 20.331 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -23.068 -6.401 18.334 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.210 -6.902 20.007 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -26.717 -6.148 18.989 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -25.493 -7.388 18.698 1.00 0.00 H new ATOM 224 N GLY A 16 -20.453 -4.512 21.085 1.00 0.00 N ATOM 225 CA GLY A 16 -19.319 -4.936 21.953 1.00 0.00 C ATOM 226 C GLY A 16 -19.864 -5.611 23.213 1.00 0.00 C ATOM 227 O GLY A 16 -21.050 -5.842 23.342 1.00 0.00 O ATOM 0 H GLY A 16 -20.495 -3.513 20.883 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.670 -5.624 21.411 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.712 -4.072 22.224 1.00 0.00 H new ATOM 231 N TYR A 17 -19.006 -5.929 24.143 1.00 0.00 N ATOM 232 CA TYR A 17 -19.472 -6.589 25.396 1.00 0.00 C ATOM 233 C TYR A 17 -19.725 -5.542 26.483 1.00 0.00 C ATOM 234 O TYR A 17 -19.551 -5.799 27.658 1.00 0.00 O ATOM 235 CB TYR A 17 -18.325 -7.513 25.802 1.00 0.00 C ATOM 236 CG TYR A 17 -18.839 -8.925 25.931 1.00 0.00 C ATOM 237 CD1 TYR A 17 -19.835 -9.223 26.868 1.00 0.00 C ATOM 238 CD2 TYR A 17 -18.320 -9.936 25.114 1.00 0.00 C ATOM 239 CE1 TYR A 17 -20.312 -10.533 26.989 1.00 0.00 C ATOM 240 CE2 TYR A 17 -18.797 -11.246 25.235 1.00 0.00 C ATOM 241 CZ TYR A 17 -19.793 -11.545 26.172 1.00 0.00 C ATOM 242 OH TYR A 17 -20.263 -12.837 26.292 1.00 0.00 O ATOM 0 H TYR A 17 -18.001 -5.760 24.090 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.406 -7.132 25.255 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -17.529 -7.471 25.058 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -17.895 -7.183 26.748 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.235 -8.442 27.498 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -17.552 -9.705 24.391 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.080 -10.763 27.712 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -18.397 -12.027 24.605 1.00 0.00 H new ATOM 0 HH TYR A 17 -19.798 -13.415 25.651 1.00 0.00 H new ATOM 252 N GLU A 18 -20.131 -4.363 26.102 1.00 0.00 N ATOM 253 CA GLU A 18 -20.389 -3.302 27.117 1.00 0.00 C ATOM 254 C GLU A 18 -20.832 -2.007 26.433 1.00 0.00 C ATOM 255 O GLU A 18 -21.074 -1.973 25.243 1.00 0.00 O ATOM 256 CB GLU A 18 -19.050 -3.101 27.827 1.00 0.00 C ATOM 257 CG GLU A 18 -17.922 -3.015 26.792 1.00 0.00 C ATOM 258 CD GLU A 18 -16.573 -3.093 27.508 1.00 0.00 C ATOM 259 OE1 GLU A 18 -16.270 -4.147 28.045 1.00 0.00 O ATOM 260 OE2 GLU A 18 -15.867 -2.099 27.511 1.00 0.00 O ATOM 0 H GLU A 18 -20.295 -4.088 25.134 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.183 -3.580 27.810 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -19.078 -2.190 28.425 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.864 -3.927 28.513 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.012 -3.828 26.071 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.996 -2.083 26.232 1.00 0.00 H new ATOM 267 N ASP A 19 -20.937 -0.940 27.177 1.00 0.00 N ATOM 268 CA ASP A 19 -21.363 0.351 26.568 1.00 0.00 C ATOM 269 C ASP A 19 -20.138 1.151 26.128 1.00 0.00 C ATOM 270 O ASP A 19 -20.039 1.577 24.994 1.00 0.00 O ATOM 271 CB ASP A 19 -22.118 1.084 27.676 1.00 0.00 C ATOM 272 CG ASP A 19 -22.604 2.438 27.154 1.00 0.00 C ATOM 273 OD1 ASP A 19 -21.919 3.010 26.322 1.00 0.00 O ATOM 274 OD2 ASP A 19 -23.652 2.880 27.595 1.00 0.00 O ATOM 0 H ASP A 19 -20.746 -0.907 28.178 1.00 0.00 H new ATOM 0 HA ASP A 19 -21.984 0.208 25.683 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -22.966 0.486 28.010 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -21.469 1.227 28.540 1.00 0.00 H new ATOM 279 N PHE A 20 -19.200 1.354 27.009 1.00 0.00 N ATOM 280 CA PHE A 20 -17.985 2.121 26.624 1.00 0.00 C ATOM 281 C PHE A 20 -16.809 1.168 26.420 1.00 0.00 C ATOM 282 O PHE A 20 -16.987 0.004 26.119 1.00 0.00 O ATOM 283 CB PHE A 20 -17.717 3.083 27.784 1.00 0.00 C ATOM 284 CG PHE A 20 -17.349 2.304 29.024 1.00 0.00 C ATOM 285 CD1 PHE A 20 -18.353 1.840 29.881 1.00 0.00 C ATOM 286 CD2 PHE A 20 -16.004 2.051 29.321 1.00 0.00 C ATOM 287 CE1 PHE A 20 -18.015 1.121 31.032 1.00 0.00 C ATOM 288 CE2 PHE A 20 -15.665 1.332 30.473 1.00 0.00 C ATOM 289 CZ PHE A 20 -16.670 0.866 31.329 1.00 0.00 C ATOM 0 H PHE A 20 -19.222 1.024 27.974 1.00 0.00 H new ATOM 0 HA PHE A 20 -18.121 2.663 25.688 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -16.910 3.767 27.521 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -18.601 3.691 27.975 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -19.390 2.037 29.653 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.228 2.411 28.661 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -18.791 0.762 31.692 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.628 1.137 30.702 1.00 0.00 H new ATOM 0 HZ PHE A 20 -16.409 0.310 32.217 1.00 0.00 H new ATOM 299 N TYR A 21 -15.609 1.649 26.569 1.00 0.00 N ATOM 300 CA TYR A 21 -14.432 0.761 26.365 1.00 0.00 C ATOM 301 C TYR A 21 -13.142 1.449 26.826 1.00 0.00 C ATOM 302 O TYR A 21 -12.222 0.808 27.293 1.00 0.00 O ATOM 303 CB TYR A 21 -14.413 0.503 24.866 1.00 0.00 C ATOM 304 CG TYR A 21 -15.082 -0.825 24.597 1.00 0.00 C ATOM 305 CD1 TYR A 21 -14.631 -1.977 25.253 1.00 0.00 C ATOM 306 CD2 TYR A 21 -16.155 -0.907 23.701 1.00 0.00 C ATOM 307 CE1 TYR A 21 -15.250 -3.209 25.011 1.00 0.00 C ATOM 308 CE2 TYR A 21 -16.773 -2.139 23.459 1.00 0.00 C ATOM 309 CZ TYR A 21 -16.320 -3.291 24.113 1.00 0.00 C ATOM 310 OH TYR A 21 -16.931 -4.505 23.876 1.00 0.00 O ATOM 0 H TYR A 21 -15.392 2.613 26.822 1.00 0.00 H new ATOM 0 HA TYR A 21 -14.499 -0.161 26.942 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -14.933 1.302 24.338 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.387 0.492 24.497 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.805 -1.915 25.946 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -16.506 -0.019 23.196 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -14.901 -4.097 25.518 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -17.600 -2.201 22.767 1.00 0.00 H new ATOM 0 HH TYR A 21 -16.278 -5.227 23.987 1.00 0.00 H new ATOM 320 N THR A 22 -13.081 2.749 26.706 1.00 0.00 N ATOM 321 CA THR A 22 -11.871 3.519 27.143 1.00 0.00 C ATOM 322 C THR A 22 -10.730 3.426 26.116 1.00 0.00 C ATOM 323 O THR A 22 -10.552 4.313 25.306 1.00 0.00 O ATOM 324 CB THR A 22 -11.464 2.925 28.499 1.00 0.00 C ATOM 325 OG1 THR A 22 -12.632 2.653 29.260 1.00 0.00 O ATOM 326 CG2 THR A 22 -10.586 3.924 29.256 1.00 0.00 C ATOM 0 H THR A 22 -13.830 3.322 26.317 1.00 0.00 H new ATOM 0 HA THR A 22 -12.092 4.583 27.227 1.00 0.00 H new ATOM 0 HB THR A 22 -10.905 2.003 28.339 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.377 2.272 30.126 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.299 3.500 30.218 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.691 4.138 28.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.142 4.847 29.418 1.00 0.00 H new ATOM 334 N ASP A 23 -9.948 2.383 26.145 1.00 0.00 N ATOM 335 CA ASP A 23 -8.817 2.277 25.174 1.00 0.00 C ATOM 336 C ASP A 23 -8.333 0.828 25.085 1.00 0.00 C ATOM 337 O ASP A 23 -8.539 0.038 25.984 1.00 0.00 O ATOM 338 CB ASP A 23 -7.730 3.183 25.758 1.00 0.00 C ATOM 339 CG ASP A 23 -6.367 2.813 25.168 1.00 0.00 C ATOM 340 OD1 ASP A 23 -6.055 3.299 24.095 1.00 0.00 O ATOM 341 OD2 ASP A 23 -5.659 2.049 25.801 1.00 0.00 O ATOM 0 H ASP A 23 -10.040 1.602 26.794 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.097 2.572 24.163 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.959 4.226 25.540 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.705 3.082 26.843 1.00 0.00 H new ATOM 346 N GLY A 24 -7.699 0.469 24.002 1.00 0.00 N ATOM 347 CA GLY A 24 -7.218 -0.931 23.855 1.00 0.00 C ATOM 348 C GLY A 24 -8.429 -1.859 23.793 1.00 0.00 C ATOM 349 O GLY A 24 -8.315 -3.060 23.940 1.00 0.00 O ATOM 0 H GLY A 24 -7.494 1.085 23.215 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.618 -1.032 22.951 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.577 -1.201 24.695 1.00 0.00 H new ATOM 353 N SER A 25 -9.592 -1.306 23.574 1.00 0.00 N ATOM 354 CA SER A 25 -10.819 -2.147 23.499 1.00 0.00 C ATOM 355 C SER A 25 -11.115 -2.515 22.054 1.00 0.00 C ATOM 356 O SER A 25 -10.442 -2.084 21.138 1.00 0.00 O ATOM 357 CB SER A 25 -11.940 -1.276 24.052 1.00 0.00 C ATOM 358 OG SER A 25 -11.831 -1.208 25.467 1.00 0.00 O ATOM 0 H SER A 25 -9.744 -0.306 23.444 1.00 0.00 H new ATOM 0 HA SER A 25 -10.708 -3.077 24.057 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.883 -0.275 23.623 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.909 -1.689 23.770 1.00 0.00 H new ATOM 0 HG SER A 25 -11.902 -2.110 25.844 1.00 0.00 H new ATOM 364 N VAL A 26 -12.125 -3.304 21.841 1.00 0.00 N ATOM 365 CA VAL A 26 -12.468 -3.693 20.454 1.00 0.00 C ATOM 366 C VAL A 26 -13.940 -4.046 20.353 1.00 0.00 C ATOM 367 O VAL A 26 -14.586 -4.355 21.334 1.00 0.00 O ATOM 368 CB VAL A 26 -11.594 -4.910 20.155 1.00 0.00 C ATOM 369 CG1 VAL A 26 -12.124 -5.637 18.920 1.00 0.00 C ATOM 370 CG2 VAL A 26 -10.161 -4.453 19.898 1.00 0.00 C ATOM 0 H VAL A 26 -12.726 -3.695 22.567 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.292 -2.885 19.743 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.616 -5.588 21.008 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.497 -6.504 18.711 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.148 -5.965 19.102 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.106 -4.962 18.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.535 -5.320 19.684 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.143 -3.774 19.046 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.779 -3.939 20.780 1.00 0.00 H new ATOM 380 N VAL A 27 -14.484 -3.984 19.174 1.00 0.00 N ATOM 381 CA VAL A 27 -15.928 -4.303 19.031 1.00 0.00 C ATOM 382 C VAL A 27 -16.214 -5.067 17.757 1.00 0.00 C ATOM 383 O VAL A 27 -16.104 -4.546 16.664 1.00 0.00 O ATOM 384 CB VAL A 27 -16.619 -2.948 19.015 1.00 0.00 C ATOM 385 CG1 VAL A 27 -18.014 -3.067 18.397 1.00 0.00 C ATOM 386 CG2 VAL A 27 -16.745 -2.477 20.445 1.00 0.00 C ATOM 0 H VAL A 27 -14.000 -3.730 18.313 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.279 -4.945 19.839 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.038 -2.242 18.421 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -18.495 -2.089 18.393 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -17.929 -3.433 17.374 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -18.613 -3.764 18.983 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.238 -1.505 20.466 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.335 -3.195 21.014 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.753 -2.390 20.888 1.00 0.00 H new ATOM 396 N THR A 28 -16.618 -6.292 17.888 1.00 0.00 N ATOM 397 CA THR A 28 -16.950 -7.066 16.681 1.00 0.00 C ATOM 398 C THR A 28 -18.227 -6.482 16.092 1.00 0.00 C ATOM 399 O THR A 28 -19.305 -6.661 16.623 1.00 0.00 O ATOM 400 CB THR A 28 -17.161 -8.507 17.151 1.00 0.00 C ATOM 401 OG1 THR A 28 -16.867 -8.605 18.538 1.00 0.00 O ATOM 402 CG2 THR A 28 -16.236 -9.435 16.366 1.00 0.00 C ATOM 0 H THR A 28 -16.731 -6.784 18.774 1.00 0.00 H new ATOM 0 HA THR A 28 -16.174 -7.033 15.916 1.00 0.00 H new ATOM 0 HB THR A 28 -18.198 -8.796 16.982 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.668 -8.385 19.058 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.384 -10.462 16.698 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.464 -9.361 15.303 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.199 -9.144 16.536 1.00 0.00 H new ATOM 410 N TYR A 29 -18.114 -5.755 15.021 1.00 0.00 N ATOM 411 CA TYR A 29 -19.324 -5.129 14.426 1.00 0.00 C ATOM 412 C TYR A 29 -20.248 -6.204 13.855 1.00 0.00 C ATOM 413 O TYR A 29 -19.988 -7.386 13.967 1.00 0.00 O ATOM 414 CB TYR A 29 -18.798 -4.252 13.286 1.00 0.00 C ATOM 415 CG TYR A 29 -18.463 -2.861 13.772 1.00 0.00 C ATOM 416 CD1 TYR A 29 -18.573 -2.523 15.128 1.00 0.00 C ATOM 417 CD2 TYR A 29 -18.037 -1.901 12.847 1.00 0.00 C ATOM 418 CE1 TYR A 29 -18.259 -1.229 15.552 1.00 0.00 C ATOM 419 CE2 TYR A 29 -17.720 -0.608 13.272 1.00 0.00 C ATOM 420 CZ TYR A 29 -17.832 -0.271 14.625 1.00 0.00 C ATOM 421 OH TYR A 29 -17.522 1.007 15.046 1.00 0.00 O ATOM 0 H TYR A 29 -17.239 -5.567 14.532 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.892 -4.562 15.164 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -17.910 -4.711 12.851 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.546 -4.193 12.495 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.900 -3.262 15.844 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -17.953 -2.160 11.802 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -18.346 -0.968 16.596 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -17.389 0.130 12.557 1.00 0.00 H new ATOM 0 HH TYR A 29 -17.242 1.546 14.277 1.00 0.00 H new ATOM 431 N SER A 30 -21.320 -5.800 13.235 1.00 0.00 N ATOM 432 CA SER A 30 -22.261 -6.790 12.642 1.00 0.00 C ATOM 433 C SER A 30 -22.802 -6.254 11.316 1.00 0.00 C ATOM 434 O SER A 30 -22.978 -5.064 11.144 1.00 0.00 O ATOM 435 CB SER A 30 -23.389 -6.937 13.663 1.00 0.00 C ATOM 436 OG SER A 30 -22.965 -6.412 14.915 1.00 0.00 O ATOM 0 H SER A 30 -21.586 -4.823 13.113 1.00 0.00 H new ATOM 0 HA SER A 30 -21.782 -7.747 12.435 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.278 -6.410 13.317 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.663 -7.987 13.770 1.00 0.00 H new ATOM 0 HG SER A 30 -23.688 -6.504 15.570 1.00 0.00 H new ATOM 442 N CYS A 31 -23.064 -7.117 10.377 1.00 0.00 N ATOM 443 CA CYS A 31 -23.589 -6.646 9.065 1.00 0.00 C ATOM 444 C CYS A 31 -24.921 -7.329 8.752 1.00 0.00 C ATOM 445 O CYS A 31 -25.085 -8.515 8.955 1.00 0.00 O ATOM 446 CB CYS A 31 -22.526 -7.055 8.047 1.00 0.00 C ATOM 447 SG CYS A 31 -20.904 -6.471 8.601 1.00 0.00 S ATOM 0 H CYS A 31 -22.938 -8.126 10.460 1.00 0.00 H new ATOM 0 HA CYS A 31 -23.774 -5.572 9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -22.515 -8.139 7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -22.762 -6.634 7.070 1.00 0.00 H new ATOM 452 N ASN A 32 -25.875 -6.590 8.259 1.00 0.00 N ATOM 453 CA ASN A 32 -27.195 -7.201 7.933 1.00 0.00 C ATOM 454 C ASN A 32 -26.994 -8.538 7.214 1.00 0.00 C ATOM 455 O ASN A 32 -26.036 -8.726 6.489 1.00 0.00 O ATOM 456 CB ASN A 32 -27.885 -6.194 7.012 1.00 0.00 C ATOM 457 CG ASN A 32 -29.010 -5.493 7.774 1.00 0.00 C ATOM 458 OD1 ASN A 32 -29.637 -6.082 8.633 1.00 0.00 O ATOM 459 ND2 ASN A 32 -29.298 -4.251 7.493 1.00 0.00 N ATOM 0 H ASN A 32 -25.799 -5.591 8.068 1.00 0.00 H new ATOM 0 HA ASN A 32 -27.787 -7.405 8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -27.163 -5.461 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -28.287 -6.703 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -30.049 -3.776 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -28.772 -3.756 6.772 1.00 0.00 H new ATOM 466 N SER A 33 -27.888 -9.467 7.408 1.00 0.00 N ATOM 467 CA SER A 33 -27.747 -10.791 6.736 1.00 0.00 C ATOM 468 C SER A 33 -27.441 -10.597 5.247 1.00 0.00 C ATOM 469 O SER A 33 -28.102 -9.842 4.561 1.00 0.00 O ATOM 470 CB SER A 33 -29.101 -11.479 6.927 1.00 0.00 C ATOM 471 OG SER A 33 -29.624 -11.860 5.661 1.00 0.00 O ATOM 0 H SER A 33 -28.711 -9.368 8.003 1.00 0.00 H new ATOM 0 HA SER A 33 -26.931 -11.382 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 33 -28.988 -12.356 7.564 1.00 0.00 H new ATOM 0 HB3 SER A 33 -29.795 -10.806 7.431 1.00 0.00 H new ATOM 0 HG SER A 33 -30.490 -12.302 5.784 1.00 0.00 H new ATOM 477 N GLY A 34 -26.445 -11.273 4.743 1.00 0.00 N ATOM 478 CA GLY A 34 -26.100 -11.131 3.300 1.00 0.00 C ATOM 479 C GLY A 34 -24.849 -10.261 3.152 1.00 0.00 C ATOM 480 O GLY A 34 -24.253 -10.192 2.096 1.00 0.00 O ATOM 0 H GLY A 34 -25.855 -11.918 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -25.926 -12.113 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -26.933 -10.682 2.759 1.00 0.00 H new ATOM 484 N TYR A 35 -24.449 -9.595 4.200 1.00 0.00 N ATOM 485 CA TYR A 35 -23.237 -8.728 4.114 1.00 0.00 C ATOM 486 C TYR A 35 -22.087 -9.334 4.927 1.00 0.00 C ATOM 487 O TYR A 35 -22.229 -9.632 6.096 1.00 0.00 O ATOM 488 CB TYR A 35 -23.672 -7.383 4.702 1.00 0.00 C ATOM 489 CG TYR A 35 -24.077 -6.446 3.584 1.00 0.00 C ATOM 490 CD1 TYR A 35 -24.484 -6.961 2.345 1.00 0.00 C ATOM 491 CD2 TYR A 35 -24.043 -5.060 3.787 1.00 0.00 C ATOM 492 CE1 TYR A 35 -24.856 -6.091 1.312 1.00 0.00 C ATOM 493 CE2 TYR A 35 -24.416 -4.191 2.754 1.00 0.00 C ATOM 494 CZ TYR A 35 -24.822 -4.707 1.517 1.00 0.00 C ATOM 495 OH TYR A 35 -25.189 -3.849 0.500 1.00 0.00 O ATOM 0 H TYR A 35 -24.907 -9.613 5.111 1.00 0.00 H new ATOM 0 HA TYR A 35 -22.873 -8.625 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -24.506 -7.528 5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -22.857 -6.946 5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -24.511 -8.029 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -23.729 -4.662 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -25.169 -6.488 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -24.391 -3.123 2.911 1.00 0.00 H new ATOM 0 HH TYR A 35 -25.109 -2.922 0.809 1.00 0.00 H new ATOM 505 N SER A 36 -20.951 -9.524 4.311 1.00 0.00 N ATOM 506 CA SER A 36 -19.790 -10.117 5.040 1.00 0.00 C ATOM 507 C SER A 36 -19.084 -9.064 5.893 1.00 0.00 C ATOM 508 O SER A 36 -18.984 -7.912 5.522 1.00 0.00 O ATOM 509 CB SER A 36 -18.854 -10.632 3.947 1.00 0.00 C ATOM 510 OG SER A 36 -18.592 -12.008 4.179 1.00 0.00 O ATOM 0 H SER A 36 -20.776 -9.294 3.333 1.00 0.00 H new ATOM 0 HA SER A 36 -20.104 -10.908 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 36 -19.308 -10.495 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.923 -10.065 3.949 1.00 0.00 H new ATOM 0 HG SER A 36 -19.434 -12.509 4.160 1.00 0.00 H new ATOM 516 N LEU A 37 -18.585 -9.456 7.035 1.00 0.00 N ATOM 517 CA LEU A 37 -17.876 -8.482 7.910 1.00 0.00 C ATOM 518 C LEU A 37 -16.370 -8.557 7.660 1.00 0.00 C ATOM 519 O LEU A 37 -15.707 -9.483 8.083 1.00 0.00 O ATOM 520 CB LEU A 37 -18.195 -8.907 9.342 1.00 0.00 C ATOM 521 CG LEU A 37 -17.539 -7.923 10.312 1.00 0.00 C ATOM 522 CD1 LEU A 37 -18.579 -6.916 10.802 1.00 0.00 C ATOM 523 CD2 LEU A 37 -16.968 -8.685 11.508 1.00 0.00 C ATOM 0 H LEU A 37 -18.638 -10.408 7.398 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.190 -7.456 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -19.274 -8.926 9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.829 -9.917 9.525 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.735 -7.395 9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.110 -6.216 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.985 -6.369 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.385 -7.444 11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.501 -7.982 12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.772 -9.215 12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.224 -9.402 11.161 1.00 0.00 H new ATOM 535 N ILE A 38 -15.824 -7.592 6.975 1.00 0.00 N ATOM 536 CA ILE A 38 -14.358 -7.617 6.699 1.00 0.00 C ATOM 537 C ILE A 38 -13.632 -6.747 7.724 1.00 0.00 C ATOM 538 O ILE A 38 -14.171 -5.779 8.213 1.00 0.00 O ATOM 539 CB ILE A 38 -14.169 -7.038 5.288 1.00 0.00 C ATOM 540 CG1 ILE A 38 -15.455 -7.173 4.451 1.00 0.00 C ATOM 541 CG2 ILE A 38 -13.041 -7.784 4.590 1.00 0.00 C ATOM 542 CD1 ILE A 38 -15.991 -8.606 4.534 1.00 0.00 C ATOM 0 H ILE A 38 -16.326 -6.789 6.595 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.955 -8.627 6.764 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.929 -5.979 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.208 -6.473 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -15.251 -6.913 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.902 -7.378 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.120 -7.667 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.293 -8.842 4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.900 -8.689 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.241 -9.298 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.214 -8.852 5.572 1.00 0.00 H new ATOM 554 N GLY A 39 -12.416 -7.081 8.053 1.00 0.00 N ATOM 555 CA GLY A 39 -11.666 -6.265 9.051 1.00 0.00 C ATOM 556 C GLY A 39 -11.058 -7.189 10.105 1.00 0.00 C ATOM 557 O GLY A 39 -10.881 -8.369 9.878 1.00 0.00 O ATOM 0 H GLY A 39 -11.909 -7.882 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.881 -5.694 8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.333 -5.545 9.524 1.00 0.00 H new ATOM 561 N ASN A 40 -10.740 -6.669 11.260 1.00 0.00 N ATOM 562 CA ASN A 40 -10.149 -7.533 12.320 1.00 0.00 C ATOM 563 C ASN A 40 -11.234 -7.969 13.299 1.00 0.00 C ATOM 564 O ASN A 40 -11.097 -7.834 14.498 1.00 0.00 O ATOM 565 CB ASN A 40 -9.100 -6.667 13.018 1.00 0.00 C ATOM 566 CG ASN A 40 -8.058 -7.569 13.681 1.00 0.00 C ATOM 567 OD1 ASN A 40 -8.400 -8.477 14.413 1.00 0.00 O ATOM 568 ND2 ASN A 40 -6.790 -7.357 13.455 1.00 0.00 N ATOM 0 H ASN A 40 -10.863 -5.689 11.514 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.704 -8.440 11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.619 -6.006 12.297 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.575 -6.031 13.765 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.087 -7.953 13.893 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.502 -6.595 12.841 1.00 0.00 H new ATOM 575 N SER A 41 -12.298 -8.503 12.772 1.00 0.00 N ATOM 576 CA SER A 41 -13.433 -8.984 13.620 1.00 0.00 C ATOM 577 C SER A 41 -13.532 -8.191 14.929 1.00 0.00 C ATOM 578 O SER A 41 -13.696 -8.756 15.992 1.00 0.00 O ATOM 579 CB SER A 41 -13.108 -10.447 13.908 1.00 0.00 C ATOM 580 OG SER A 41 -11.862 -10.526 14.587 1.00 0.00 O ATOM 0 H SER A 41 -12.436 -8.631 11.769 1.00 0.00 H new ATOM 0 HA SER A 41 -14.392 -8.857 13.117 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.895 -10.894 14.515 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.064 -11.012 12.977 1.00 0.00 H new ATOM 0 HG SER A 41 -11.651 -11.464 14.775 1.00 0.00 H new ATOM 586 N GLY A 42 -13.434 -6.890 14.868 1.00 0.00 N ATOM 587 CA GLY A 42 -13.529 -6.090 16.122 1.00 0.00 C ATOM 588 C GLY A 42 -12.855 -4.730 15.940 1.00 0.00 C ATOM 589 O GLY A 42 -11.699 -4.644 15.577 1.00 0.00 O ATOM 0 H GLY A 42 -13.294 -6.351 14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.575 -5.951 16.393 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.056 -6.630 16.942 1.00 0.00 H new ATOM 593 N VAL A 43 -13.559 -3.663 16.217 1.00 0.00 N ATOM 594 CA VAL A 43 -12.926 -2.317 16.085 1.00 0.00 C ATOM 595 C VAL A 43 -11.810 -2.223 17.115 1.00 0.00 C ATOM 596 O VAL A 43 -11.620 -3.132 17.894 1.00 0.00 O ATOM 597 CB VAL A 43 -13.994 -1.269 16.416 1.00 0.00 C ATOM 598 CG1 VAL A 43 -13.650 0.038 15.700 1.00 0.00 C ATOM 599 CG2 VAL A 43 -15.374 -1.728 15.958 1.00 0.00 C ATOM 0 H VAL A 43 -14.531 -3.664 16.525 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.530 -2.158 15.082 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.012 -1.126 17.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.406 0.789 15.931 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.674 0.390 16.035 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -13.625 -0.133 14.624 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.112 -0.965 16.206 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.365 -1.888 14.880 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.633 -2.660 16.461 1.00 0.00 H new ATOM 609 N LEU A 44 -11.093 -1.134 17.155 1.00 0.00 N ATOM 610 CA LEU A 44 -10.017 -1.003 18.177 1.00 0.00 C ATOM 611 C LEU A 44 -9.990 0.419 18.729 1.00 0.00 C ATOM 612 O LEU A 44 -9.346 1.293 18.183 1.00 0.00 O ATOM 613 CB LEU A 44 -8.699 -1.313 17.452 1.00 0.00 C ATOM 614 CG LEU A 44 -7.554 -1.573 18.460 1.00 0.00 C ATOM 615 CD1 LEU A 44 -6.245 -1.022 17.893 1.00 0.00 C ATOM 616 CD2 LEU A 44 -7.824 -0.887 19.805 1.00 0.00 C ATOM 0 H LEU A 44 -11.204 -0.336 16.530 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.179 -1.680 19.016 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.829 -2.186 16.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.433 -0.479 16.803 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.488 -2.649 18.620 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.437 -1.204 18.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.019 -1.519 16.949 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.345 0.050 17.724 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.000 -1.090 20.489 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.913 0.189 19.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.751 -1.271 20.230 1.00 0.00 H new ATOM 628 N CYS A 45 -10.657 0.659 19.823 1.00 0.00 N ATOM 629 CA CYS A 45 -10.622 2.028 20.401 1.00 0.00 C ATOM 630 C CYS A 45 -9.347 2.192 21.218 1.00 0.00 C ATOM 631 O CYS A 45 -9.202 1.626 22.286 1.00 0.00 O ATOM 632 CB CYS A 45 -11.849 2.156 21.297 1.00 0.00 C ATOM 633 SG CYS A 45 -12.556 3.809 21.080 1.00 0.00 S ATOM 0 H CYS A 45 -11.217 -0.023 20.335 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.631 2.796 19.627 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.585 1.394 21.041 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.574 1.996 22.340 1.00 0.00 H new ATOM 638 N SER A 46 -8.418 2.951 20.719 1.00 0.00 N ATOM 639 CA SER A 46 -7.143 3.144 21.461 1.00 0.00 C ATOM 640 C SER A 46 -6.782 4.631 21.520 1.00 0.00 C ATOM 641 O SER A 46 -6.622 5.282 20.507 1.00 0.00 O ATOM 642 CB SER A 46 -6.100 2.364 20.661 1.00 0.00 C ATOM 643 OG SER A 46 -4.903 3.127 20.581 1.00 0.00 O ATOM 0 H SER A 46 -8.484 3.447 19.830 1.00 0.00 H new ATOM 0 HA SER A 46 -7.207 2.797 22.492 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.902 1.404 21.138 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.477 2.151 19.661 1.00 0.00 H new ATOM 0 HG SER A 46 -4.231 2.629 20.070 1.00 0.00 H new ATOM 649 N GLY A 47 -6.652 5.172 22.701 1.00 0.00 N ATOM 650 CA GLY A 47 -6.301 6.614 22.826 1.00 0.00 C ATOM 651 C GLY A 47 -7.582 7.449 22.891 1.00 0.00 C ATOM 652 O GLY A 47 -7.546 8.663 22.832 1.00 0.00 O ATOM 0 H GLY A 47 -6.774 4.677 23.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.703 6.777 23.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.694 6.926 21.976 1.00 0.00 H new ATOM 656 N GLY A 48 -8.714 6.811 23.010 1.00 0.00 N ATOM 657 CA GLY A 48 -9.993 7.572 23.076 1.00 0.00 C ATOM 658 C GLY A 48 -10.546 7.766 21.663 1.00 0.00 C ATOM 659 O GLY A 48 -11.248 8.717 21.386 1.00 0.00 O ATOM 0 H GLY A 48 -8.808 5.797 23.064 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.716 7.036 23.690 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.828 8.540 23.549 1.00 0.00 H new ATOM 663 N GLU A 49 -10.237 6.870 20.767 1.00 0.00 N ATOM 664 CA GLU A 49 -10.748 7.005 19.373 1.00 0.00 C ATOM 665 C GLU A 49 -10.828 5.632 18.705 1.00 0.00 C ATOM 666 O GLU A 49 -9.860 4.900 18.651 1.00 0.00 O ATOM 667 CB GLU A 49 -9.726 7.888 18.656 1.00 0.00 C ATOM 668 CG GLU A 49 -10.243 9.327 18.594 1.00 0.00 C ATOM 669 CD GLU A 49 -10.624 9.673 17.152 1.00 0.00 C ATOM 670 OE1 GLU A 49 -9.769 9.553 16.290 1.00 0.00 O ATOM 671 OE2 GLU A 49 -11.764 10.051 16.936 1.00 0.00 O ATOM 0 H GLU A 49 -9.654 6.051 20.939 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.749 7.434 19.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.771 7.856 19.181 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.548 7.511 17.649 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.108 9.442 19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.478 10.015 18.954 1.00 0.00 H new ATOM 678 N TRP A 50 -11.973 5.277 18.193 1.00 0.00 N ATOM 679 CA TRP A 50 -12.107 3.951 17.526 1.00 0.00 C ATOM 680 C TRP A 50 -11.368 3.970 16.187 1.00 0.00 C ATOM 681 O TRP A 50 -11.442 4.927 15.442 1.00 0.00 O ATOM 682 CB TRP A 50 -13.609 3.764 17.304 1.00 0.00 C ATOM 683 CG TRP A 50 -14.275 3.440 18.603 1.00 0.00 C ATOM 684 CD1 TRP A 50 -14.996 4.312 19.345 1.00 0.00 C ATOM 685 CD2 TRP A 50 -14.300 2.173 19.321 1.00 0.00 C ATOM 686 NE1 TRP A 50 -15.460 3.660 20.473 1.00 0.00 N ATOM 687 CE2 TRP A 50 -15.058 2.340 20.504 1.00 0.00 C ATOM 688 CE3 TRP A 50 -13.744 0.908 19.062 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -15.254 1.291 21.400 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -13.939 -0.152 19.960 1.00 0.00 C ATOM 691 CH2 TRP A 50 -14.693 0.038 21.126 1.00 0.00 C ATOM 0 H TRP A 50 -12.820 5.845 18.207 1.00 0.00 H new ATOM 0 HA TRP A 50 -11.683 3.142 18.121 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.039 4.671 16.880 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.783 2.963 16.586 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -15.179 5.347 19.097 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -16.030 4.101 21.195 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -13.163 0.751 18.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -15.834 1.443 22.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -13.506 -1.119 19.752 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -14.841 -0.782 21.813 1.00 0.00 H new ATOM 702 N SER A 51 -10.651 2.927 15.875 1.00 0.00 N ATOM 703 CA SER A 51 -9.909 2.905 14.584 1.00 0.00 C ATOM 704 C SER A 51 -9.877 1.493 13.991 1.00 0.00 C ATOM 705 O SER A 51 -10.184 0.516 14.649 1.00 0.00 O ATOM 706 CB SER A 51 -8.497 3.367 14.936 1.00 0.00 C ATOM 707 OG SER A 51 -8.213 4.577 14.245 1.00 0.00 O ATOM 0 H SER A 51 -10.547 2.094 16.454 1.00 0.00 H new ATOM 0 HA SER A 51 -10.380 3.542 13.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.409 3.520 16.012 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.772 2.600 14.663 1.00 0.00 H new ATOM 0 HG SER A 51 -7.308 4.877 14.470 1.00 0.00 H new ATOM 713 N ASP A 52 -9.499 1.394 12.744 1.00 0.00 N ATOM 714 CA ASP A 52 -9.425 0.068 12.065 1.00 0.00 C ATOM 715 C ASP A 52 -10.702 -0.743 12.294 1.00 0.00 C ATOM 716 O ASP A 52 -10.682 -1.787 12.915 1.00 0.00 O ATOM 717 CB ASP A 52 -8.214 -0.629 12.685 1.00 0.00 C ATOM 718 CG ASP A 52 -6.944 0.135 12.307 1.00 0.00 C ATOM 719 OD1 ASP A 52 -7.017 0.959 11.410 1.00 0.00 O ATOM 720 OD2 ASP A 52 -5.920 -0.115 12.922 1.00 0.00 O ATOM 0 H ASP A 52 -9.235 2.187 12.160 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.327 0.172 10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.319 -0.670 13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.152 -1.658 12.332 1.00 0.00 H new ATOM 725 N PRO A 53 -11.769 -0.227 11.756 1.00 0.00 N ATOM 726 CA PRO A 53 -13.087 -0.881 11.857 1.00 0.00 C ATOM 727 C PRO A 53 -13.302 -1.816 10.663 1.00 0.00 C ATOM 728 O PRO A 53 -12.774 -1.583 9.593 1.00 0.00 O ATOM 729 CB PRO A 53 -14.056 0.292 11.787 1.00 0.00 C ATOM 730 CG PRO A 53 -13.320 1.383 11.052 1.00 0.00 C ATOM 731 CD PRO A 53 -11.849 1.022 11.010 1.00 0.00 C ATOM 0 HA PRO A 53 -13.205 -1.487 12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.970 0.014 11.263 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.348 0.620 12.785 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.713 1.491 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.462 2.340 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.498 0.898 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.235 1.799 11.466 1.00 0.00 H new ATOM 739 N PRO A 54 -14.078 -2.840 10.882 1.00 0.00 N ATOM 740 CA PRO A 54 -14.370 -3.808 9.804 1.00 0.00 C ATOM 741 C PRO A 54 -15.431 -3.246 8.855 1.00 0.00 C ATOM 742 O PRO A 54 -15.965 -2.175 9.066 1.00 0.00 O ATOM 743 CB PRO A 54 -14.895 -5.028 10.551 1.00 0.00 C ATOM 744 CG PRO A 54 -15.441 -4.501 11.841 1.00 0.00 C ATOM 745 CD PRO A 54 -14.745 -3.192 12.138 1.00 0.00 C ATOM 0 HA PRO A 54 -13.502 -4.037 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.668 -5.538 9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.100 -5.752 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.518 -4.353 11.767 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.272 -5.215 12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.457 -2.423 12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.028 -3.299 12.952 1.00 0.00 H new ATOM 753 N THR A 55 -15.733 -3.958 7.805 1.00 0.00 N ATOM 754 CA THR A 55 -16.753 -3.462 6.833 1.00 0.00 C ATOM 755 C THR A 55 -17.931 -4.424 6.744 1.00 0.00 C ATOM 756 O THR A 55 -17.939 -5.478 7.344 1.00 0.00 O ATOM 757 CB THR A 55 -16.033 -3.434 5.485 1.00 0.00 C ATOM 758 OG1 THR A 55 -15.347 -4.655 5.303 1.00 0.00 O ATOM 759 CG2 THR A 55 -15.036 -2.283 5.451 1.00 0.00 C ATOM 0 H THR A 55 -15.319 -4.862 7.576 1.00 0.00 H new ATOM 0 HA THR A 55 -17.145 -2.489 7.131 1.00 0.00 H new ATOM 0 HB THR A 55 -16.763 -3.295 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.040 -4.722 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 55 -14.527 -2.270 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.564 -1.340 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.302 -2.413 6.247 1.00 0.00 H new ATOM 767 N CYS A 56 -18.908 -4.073 5.964 1.00 0.00 N ATOM 768 CA CYS A 56 -20.083 -4.961 5.778 1.00 0.00 C ATOM 769 C CYS A 56 -20.372 -5.054 4.291 1.00 0.00 C ATOM 770 O CYS A 56 -21.325 -4.498 3.783 1.00 0.00 O ATOM 771 CB CYS A 56 -21.232 -4.292 6.530 1.00 0.00 C ATOM 772 SG CYS A 56 -20.973 -4.473 8.313 1.00 0.00 S ATOM 0 H CYS A 56 -18.944 -3.198 5.441 1.00 0.00 H new ATOM 0 HA CYS A 56 -19.926 -5.972 6.154 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -21.288 -3.236 6.265 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -22.181 -4.744 6.242 1.00 0.00 H new ATOM 777 N GLN A 57 -19.524 -5.743 3.594 1.00 0.00 N ATOM 778 CA GLN A 57 -19.692 -5.877 2.126 1.00 0.00 C ATOM 779 C GLN A 57 -20.001 -7.321 1.764 1.00 0.00 C ATOM 780 O GLN A 57 -19.926 -8.207 2.587 1.00 0.00 O ATOM 781 CB GLN A 57 -18.354 -5.453 1.498 1.00 0.00 C ATOM 782 CG GLN A 57 -17.278 -5.189 2.562 1.00 0.00 C ATOM 783 CD GLN A 57 -16.042 -4.584 1.895 1.00 0.00 C ATOM 784 OE1 GLN A 57 -15.268 -3.898 2.531 1.00 0.00 O ATOM 785 NE2 GLN A 57 -15.823 -4.813 0.629 1.00 0.00 N ATOM 0 H GLN A 57 -18.712 -6.225 3.981 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.515 -5.261 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -18.009 -6.233 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.502 -4.553 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.663 -4.511 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.014 -6.118 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.473 -5.389 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.001 -4.416 0.174 1.00 0.00 H new ATOM 794 N ILE A 58 -20.333 -7.568 0.532 1.00 0.00 N ATOM 795 CA ILE A 58 -20.631 -8.960 0.126 1.00 0.00 C ATOM 796 C ILE A 58 -19.330 -9.634 -0.286 1.00 0.00 C ATOM 797 O ILE A 58 -18.448 -9.015 -0.844 1.00 0.00 O ATOM 798 CB ILE A 58 -21.610 -8.891 -1.055 1.00 0.00 C ATOM 799 CG1 ILE A 58 -22.345 -7.540 -1.085 1.00 0.00 C ATOM 800 CG2 ILE A 58 -22.631 -10.012 -0.889 1.00 0.00 C ATOM 801 CD1 ILE A 58 -23.558 -7.628 -2.015 1.00 0.00 C ATOM 0 H ILE A 58 -20.410 -6.869 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 58 -21.075 -9.536 0.938 1.00 0.00 H new ATOM 0 HB ILE A 58 -21.056 -8.998 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -22.666 -7.268 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -21.669 -6.756 -1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -23.339 -9.985 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -22.118 -10.974 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -23.167 -9.880 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -24.074 -6.668 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -23.227 -7.879 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -24.238 -8.399 -1.654 1.00 0.00 H new ATOM 813 N VAL A 59 -19.192 -10.890 0.003 1.00 0.00 N ATOM 814 CA VAL A 59 -17.930 -11.589 -0.356 1.00 0.00 C ATOM 815 C VAL A 59 -18.226 -12.877 -1.077 1.00 0.00 C ATOM 816 O VAL A 59 -17.641 -13.902 -0.803 1.00 0.00 O ATOM 817 CB VAL A 59 -17.273 -11.908 0.972 1.00 0.00 C ATOM 818 CG1 VAL A 59 -16.977 -10.615 1.737 1.00 0.00 C ATOM 819 CG2 VAL A 59 -18.234 -12.778 1.773 1.00 0.00 C ATOM 0 H VAL A 59 -19.893 -11.464 0.470 1.00 0.00 H new ATOM 0 HA VAL A 59 -17.305 -10.980 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.331 -12.432 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.505 -10.856 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -16.307 -9.989 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -17.908 -10.078 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.786 -13.024 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.167 -12.237 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.438 -13.697 1.223 1.00 0.00 H new ATOM 829 N LYS A 60 -19.114 -12.845 -1.996 1.00 0.00 N ATOM 830 CA LYS A 60 -19.416 -14.103 -2.716 1.00 0.00 C ATOM 831 C LYS A 60 -18.113 -14.667 -3.264 1.00 0.00 C ATOM 832 O LYS A 60 -17.063 -14.104 -3.057 1.00 0.00 O ATOM 833 CB LYS A 60 -20.381 -13.725 -3.839 1.00 0.00 C ATOM 834 CG LYS A 60 -21.705 -13.251 -3.239 1.00 0.00 C ATOM 835 CD LYS A 60 -22.815 -14.237 -3.609 1.00 0.00 C ATOM 836 CE LYS A 60 -23.597 -14.622 -2.351 1.00 0.00 C ATOM 837 NZ LYS A 60 -24.076 -16.008 -2.607 1.00 0.00 N ATOM 0 H LYS A 60 -19.644 -12.023 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.865 -14.864 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.947 -12.938 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.551 -14.583 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.619 -13.174 -2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.949 -12.256 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -23.484 -13.788 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.387 -15.127 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.964 -14.580 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -24.431 -13.941 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.622 -16.343 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.681 -16.016 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.260 -16.635 -2.759 1.00 0.00 H new ATOM 851 N CYS A 61 -18.150 -15.780 -3.932 1.00 0.00 N ATOM 852 CA CYS A 61 -16.866 -16.346 -4.440 1.00 0.00 C ATOM 853 C CYS A 61 -17.019 -17.051 -5.787 1.00 0.00 C ATOM 854 O CYS A 61 -18.111 -17.366 -6.219 1.00 0.00 O ATOM 855 CB CYS A 61 -16.445 -17.349 -3.379 1.00 0.00 C ATOM 856 SG CYS A 61 -14.850 -16.857 -2.692 1.00 0.00 S ATOM 0 H CYS A 61 -18.991 -16.316 -4.147 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.136 -15.554 -4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.195 -17.397 -2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -16.375 -18.347 -3.813 1.00 0.00 H new ATOM 861 N PRO A 62 -15.882 -17.282 -6.389 1.00 0.00 N ATOM 862 CA PRO A 62 -15.812 -17.967 -7.693 1.00 0.00 C ATOM 863 C PRO A 62 -15.734 -19.482 -7.496 1.00 0.00 C ATOM 864 O PRO A 62 -16.703 -20.198 -7.653 1.00 0.00 O ATOM 865 CB PRO A 62 -14.504 -17.447 -8.285 1.00 0.00 C ATOM 866 CG PRO A 62 -13.658 -17.033 -7.116 1.00 0.00 C ATOM 867 CD PRO A 62 -14.551 -16.911 -5.904 1.00 0.00 C ATOM 0 HA PRO A 62 -16.681 -17.780 -8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.007 -18.219 -8.872 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.685 -16.605 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.873 -17.767 -6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.165 -16.083 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.223 -17.572 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.543 -15.897 -5.505 1.00 0.00 H new ATOM 875 N HIS A 63 -14.571 -19.968 -7.164 1.00 0.00 N ATOM 876 CA HIS A 63 -14.388 -21.431 -6.963 1.00 0.00 C ATOM 877 C HIS A 63 -12.901 -21.738 -6.807 1.00 0.00 C ATOM 878 O HIS A 63 -12.098 -21.323 -7.619 1.00 0.00 O ATOM 879 CB HIS A 63 -14.905 -22.066 -8.245 1.00 0.00 C ATOM 880 CG HIS A 63 -16.131 -22.886 -7.961 1.00 0.00 C ATOM 881 ND1 HIS A 63 -17.043 -23.211 -8.952 1.00 0.00 N ATOM 882 CD2 HIS A 63 -16.601 -23.468 -6.812 1.00 0.00 C ATOM 883 CE1 HIS A 63 -18.007 -23.958 -8.386 1.00 0.00 C ATOM 884 NE2 HIS A 63 -17.787 -24.145 -7.082 1.00 0.00 N ATOM 0 H HIS A 63 -13.731 -19.407 -7.022 1.00 0.00 H new ATOM 0 HA HIS A 63 -14.905 -21.800 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -15.138 -21.291 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -14.132 -22.696 -8.685 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -16.992 -22.934 -9.932 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -16.124 -23.410 -5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -18.856 -24.358 -8.921 1.00 0.00 H new ATOM 892 N PRO A 64 -12.577 -22.456 -5.775 1.00 0.00 N ATOM 893 CA PRO A 64 -11.170 -22.812 -5.534 1.00 0.00 C ATOM 894 C PRO A 64 -10.775 -24.006 -6.402 1.00 0.00 C ATOM 895 O PRO A 64 -10.484 -25.077 -5.910 1.00 0.00 O ATOM 896 CB PRO A 64 -11.143 -23.177 -4.060 1.00 0.00 C ATOM 897 CG PRO A 64 -12.539 -23.611 -3.728 1.00 0.00 C ATOM 898 CD PRO A 64 -13.471 -22.996 -4.746 1.00 0.00 C ATOM 0 HA PRO A 64 -10.472 -22.012 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.427 -23.976 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.842 -22.325 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.616 -24.698 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.809 -23.291 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.153 -23.738 -5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.085 -22.213 -4.301 1.00 0.00 H new ATOM 906 N THR A 65 -10.761 -23.824 -7.691 1.00 0.00 N ATOM 907 CA THR A 65 -10.380 -24.943 -8.598 1.00 0.00 C ATOM 908 C THR A 65 -8.860 -25.013 -8.727 1.00 0.00 C ATOM 909 O THR A 65 -8.153 -24.120 -8.305 1.00 0.00 O ATOM 910 CB THR A 65 -11.015 -24.600 -9.944 1.00 0.00 C ATOM 911 OG1 THR A 65 -11.355 -23.220 -9.971 1.00 0.00 O ATOM 912 CG2 THR A 65 -12.273 -25.441 -10.137 1.00 0.00 C ATOM 0 H THR A 65 -10.997 -22.948 -8.158 1.00 0.00 H new ATOM 0 HA THR A 65 -10.717 -25.911 -8.226 1.00 0.00 H new ATOM 0 HB THR A 65 -10.308 -24.813 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.761 -23.000 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.729 -25.199 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.010 -26.499 -10.117 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.980 -25.227 -9.335 1.00 0.00 H new ATOM 920 N ILE A 66 -8.345 -26.062 -9.304 1.00 0.00 N ATOM 921 CA ILE A 66 -6.865 -26.163 -9.446 1.00 0.00 C ATOM 922 C ILE A 66 -6.489 -27.323 -10.377 1.00 0.00 C ATOM 923 O ILE A 66 -7.281 -28.206 -10.646 1.00 0.00 O ATOM 924 CB ILE A 66 -6.322 -26.365 -8.011 1.00 0.00 C ATOM 925 CG1 ILE A 66 -5.098 -27.285 -8.012 1.00 0.00 C ATOM 926 CG2 ILE A 66 -7.393 -26.964 -7.100 1.00 0.00 C ATOM 927 CD1 ILE A 66 -4.554 -27.386 -6.586 1.00 0.00 C ATOM 0 H ILE A 66 -8.877 -26.847 -9.680 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.432 -25.271 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.035 -25.384 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.369 -28.273 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.332 -26.893 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.986 -27.096 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.251 -26.293 -7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.707 -27.931 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.682 -28.039 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.269 -26.394 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.323 -27.796 -5.931 1.00 0.00 H new ATOM 939 N SER A 67 -5.284 -27.309 -10.881 1.00 0.00 N ATOM 940 CA SER A 67 -4.839 -28.388 -11.811 1.00 0.00 C ATOM 941 C SER A 67 -4.756 -29.736 -11.089 1.00 0.00 C ATOM 942 O SER A 67 -3.848 -29.983 -10.321 1.00 0.00 O ATOM 943 CB SER A 67 -3.453 -27.948 -12.283 1.00 0.00 C ATOM 944 OG SER A 67 -3.518 -27.581 -13.655 1.00 0.00 O ATOM 0 H SER A 67 -4.585 -26.592 -10.687 1.00 0.00 H new ATOM 0 HA SER A 67 -5.536 -28.525 -12.638 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.103 -27.106 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.735 -28.757 -12.145 1.00 0.00 H new ATOM 0 HG SER A 67 -2.631 -27.297 -13.960 1.00 0.00 H new ATOM 950 N ASN A 68 -5.694 -30.611 -11.343 1.00 0.00 N ATOM 951 CA ASN A 68 -5.676 -31.953 -10.687 1.00 0.00 C ATOM 952 C ASN A 68 -5.219 -31.840 -9.230 1.00 0.00 C ATOM 953 O ASN A 68 -4.497 -32.681 -8.733 1.00 0.00 O ATOM 954 CB ASN A 68 -4.674 -32.774 -11.498 1.00 0.00 C ATOM 955 CG ASN A 68 -5.419 -33.592 -12.554 1.00 0.00 C ATOM 956 OD1 ASN A 68 -5.927 -34.658 -12.268 1.00 0.00 O ATOM 957 ND2 ASN A 68 -5.505 -33.136 -13.774 1.00 0.00 N ATOM 0 H ASN A 68 -6.475 -30.453 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.665 -32.410 -10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.951 -32.114 -11.978 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.113 -33.436 -10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.998 -33.674 -14.486 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.079 -32.241 -14.015 1.00 0.00 H new ATOM 964 N GLY A 69 -5.630 -30.813 -8.542 1.00 0.00 N ATOM 965 CA GLY A 69 -5.210 -30.663 -7.121 1.00 0.00 C ATOM 966 C GLY A 69 -6.322 -29.983 -6.323 1.00 0.00 C ATOM 967 O GLY A 69 -6.069 -29.237 -5.398 1.00 0.00 O ATOM 0 H GLY A 69 -6.236 -30.074 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.988 -31.640 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.295 -30.074 -7.063 1.00 0.00 H new ATOM 971 N TYR A 70 -7.548 -30.230 -6.691 1.00 0.00 N ATOM 972 CA TYR A 70 -8.704 -29.610 -5.979 1.00 0.00 C ATOM 973 C TYR A 70 -8.576 -29.705 -4.472 1.00 0.00 C ATOM 974 O TYR A 70 -7.569 -30.094 -3.924 1.00 0.00 O ATOM 975 CB TYR A 70 -9.936 -30.397 -6.425 1.00 0.00 C ATOM 976 CG TYR A 70 -9.945 -31.768 -5.777 1.00 0.00 C ATOM 977 CD1 TYR A 70 -8.926 -32.692 -6.051 1.00 0.00 C ATOM 978 CD2 TYR A 70 -10.982 -32.117 -4.901 1.00 0.00 C ATOM 979 CE1 TYR A 70 -8.946 -33.956 -5.452 1.00 0.00 C ATOM 980 CE2 TYR A 70 -11.000 -33.382 -4.303 1.00 0.00 C ATOM 981 CZ TYR A 70 -9.982 -34.301 -4.578 1.00 0.00 C ATOM 982 OH TYR A 70 -10.000 -35.548 -3.988 1.00 0.00 O ATOM 0 H TYR A 70 -7.803 -30.843 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.761 -28.549 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.841 -29.853 -6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.938 -30.500 -7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.125 -32.427 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.768 -31.408 -4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.161 -34.666 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.800 -33.649 -3.629 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.787 -35.625 -3.409 1.00 0.00 H new ATOM 992 N LEU A 71 -9.630 -29.354 -3.814 1.00 0.00 N ATOM 993 CA LEU A 71 -9.649 -29.407 -2.325 1.00 0.00 C ATOM 994 C LEU A 71 -10.651 -30.464 -1.851 1.00 0.00 C ATOM 995 O LEU A 71 -11.433 -30.978 -2.626 1.00 0.00 O ATOM 996 CB LEU A 71 -10.034 -27.986 -1.852 1.00 0.00 C ATOM 997 CG LEU A 71 -11.270 -27.429 -2.587 1.00 0.00 C ATOM 998 CD1 LEU A 71 -10.849 -26.849 -3.933 1.00 0.00 C ATOM 999 CD2 LEU A 71 -12.331 -28.514 -2.807 1.00 0.00 C ATOM 0 H LEU A 71 -10.496 -29.027 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.683 -29.694 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.232 -28.005 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.190 -27.314 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.707 -26.649 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.725 -26.456 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.131 -26.045 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.390 -27.631 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.187 -28.085 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.908 -29.320 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.653 -28.909 -1.843 1.00 0.00 H new ATOM 1011 N SER A 72 -10.634 -30.806 -0.594 1.00 0.00 N ATOM 1012 CA SER A 72 -11.591 -31.839 -0.107 1.00 0.00 C ATOM 1013 C SER A 72 -11.958 -31.587 1.360 1.00 0.00 C ATOM 1014 O SER A 72 -12.485 -32.450 2.033 1.00 0.00 O ATOM 1015 CB SER A 72 -10.846 -33.165 -0.251 1.00 0.00 C ATOM 1016 OG SER A 72 -11.773 -34.237 -0.138 1.00 0.00 O ATOM 0 H SER A 72 -10.006 -30.420 0.112 1.00 0.00 H new ATOM 0 HA SER A 72 -12.525 -31.828 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.338 -33.208 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.078 -33.250 0.518 1.00 0.00 H new ATOM 0 HG SER A 72 -12.430 -34.029 0.558 1.00 0.00 H new ATOM 1022 N SER A 73 -11.682 -30.413 1.860 1.00 0.00 N ATOM 1023 CA SER A 73 -12.013 -30.111 3.283 1.00 0.00 C ATOM 1024 C SER A 73 -13.399 -29.471 3.387 1.00 0.00 C ATOM 1025 O SER A 73 -14.363 -30.109 3.763 1.00 0.00 O ATOM 1026 CB SER A 73 -10.934 -29.131 3.742 1.00 0.00 C ATOM 1027 OG SER A 73 -11.149 -28.801 5.108 1.00 0.00 O ATOM 0 H SER A 73 -11.242 -29.650 1.345 1.00 0.00 H new ATOM 0 HA SER A 73 -12.036 -31.011 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.946 -29.574 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.961 -28.230 3.130 1.00 0.00 H new ATOM 0 HG SER A 73 -10.457 -28.174 5.406 1.00 0.00 H new ATOM 1033 N GLY A 74 -13.504 -28.213 3.062 1.00 0.00 N ATOM 1034 CA GLY A 74 -14.825 -27.530 3.148 1.00 0.00 C ATOM 1035 C GLY A 74 -15.104 -26.777 1.849 1.00 0.00 C ATOM 1036 O GLY A 74 -14.967 -25.573 1.774 1.00 0.00 O ATOM 0 H GLY A 74 -12.733 -27.628 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.612 -28.262 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.832 -26.837 3.989 1.00 0.00 H new ATOM 1040 N PHE A 75 -15.505 -27.478 0.828 1.00 0.00 N ATOM 1041 CA PHE A 75 -15.805 -26.805 -0.467 1.00 0.00 C ATOM 1042 C PHE A 75 -17.321 -26.701 -0.651 1.00 0.00 C ATOM 1043 O PHE A 75 -18.083 -27.372 0.015 1.00 0.00 O ATOM 1044 CB PHE A 75 -15.177 -27.705 -1.537 1.00 0.00 C ATOM 1045 CG PHE A 75 -15.818 -27.441 -2.883 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -17.110 -27.912 -3.148 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -15.120 -26.726 -3.866 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -17.705 -27.669 -4.391 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -15.716 -26.484 -5.111 1.00 0.00 C ATOM 1050 CZ PHE A 75 -17.009 -26.955 -5.373 1.00 0.00 C ATOM 0 H PHE A 75 -15.639 -28.489 0.833 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.409 -25.791 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -14.104 -27.520 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -15.306 -28.752 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.648 -28.464 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.124 -26.362 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -18.702 -28.033 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -15.178 -25.934 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.468 -26.767 -6.332 1.00 0.00 H new ATOM 1060 N LYS A 76 -17.762 -25.868 -1.550 1.00 0.00 N ATOM 1061 CA LYS A 76 -19.228 -25.724 -1.775 1.00 0.00 C ATOM 1062 C LYS A 76 -19.484 -24.991 -3.093 1.00 0.00 C ATOM 1063 O LYS A 76 -18.631 -24.292 -3.601 1.00 0.00 O ATOM 1064 CB LYS A 76 -19.730 -24.895 -0.590 1.00 0.00 C ATOM 1065 CG LYS A 76 -21.255 -24.788 -0.646 1.00 0.00 C ATOM 1066 CD LYS A 76 -21.718 -23.624 0.233 1.00 0.00 C ATOM 1067 CE LYS A 76 -21.701 -24.048 1.703 1.00 0.00 C ATOM 1068 NZ LYS A 76 -22.652 -25.190 1.786 1.00 0.00 N ATOM 0 H LYS A 76 -17.172 -25.280 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.736 -26.686 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -19.422 -25.359 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -19.285 -23.900 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -21.582 -24.633 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -21.708 -25.718 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.066 -22.763 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -22.723 -23.316 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.700 -24.344 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -22.009 -23.230 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -23.172 -25.144 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -23.325 -25.140 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.125 -26.085 1.736 1.00 0.00 H new ATOM 1082 N ARG A 77 -20.651 -25.141 -3.652 1.00 0.00 N ATOM 1083 CA ARG A 77 -20.953 -24.447 -4.935 1.00 0.00 C ATOM 1084 C ARG A 77 -20.687 -22.948 -4.790 1.00 0.00 C ATOM 1085 O ARG A 77 -20.420 -22.256 -5.753 1.00 0.00 O ATOM 1086 CB ARG A 77 -22.437 -24.708 -5.183 1.00 0.00 C ATOM 1087 CG ARG A 77 -22.591 -25.944 -6.070 1.00 0.00 C ATOM 1088 CD ARG A 77 -24.004 -25.980 -6.659 1.00 0.00 C ATOM 1089 NE ARG A 77 -23.949 -27.013 -7.730 1.00 0.00 N ATOM 1090 CZ ARG A 77 -25.021 -27.694 -8.037 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -25.645 -28.380 -7.118 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -25.468 -27.689 -9.263 1.00 0.00 N ATOM 0 H ARG A 77 -21.408 -25.713 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.335 -24.804 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -22.955 -24.859 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -22.895 -23.843 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -21.852 -25.923 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -22.405 -26.847 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -24.742 -26.238 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -24.288 -25.008 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 77 -23.074 -27.189 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -25.296 -28.385 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -26.482 -28.911 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -24.981 -27.154 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -26.305 -28.221 -9.503 1.00 0.00 H new ATOM 1106 N SER A 78 -20.758 -22.445 -3.590 1.00 0.00 N ATOM 1107 CA SER A 78 -20.508 -20.991 -3.371 1.00 0.00 C ATOM 1108 C SER A 78 -19.809 -20.771 -2.025 1.00 0.00 C ATOM 1109 O SER A 78 -19.843 -21.615 -1.153 1.00 0.00 O ATOM 1110 CB SER A 78 -21.893 -20.339 -3.368 1.00 0.00 C ATOM 1111 OG SER A 78 -22.888 -21.327 -3.605 1.00 0.00 O ATOM 0 H SER A 78 -20.979 -22.978 -2.749 1.00 0.00 H new ATOM 0 HA SER A 78 -19.862 -20.566 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 78 -22.073 -19.850 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 78 -21.944 -19.567 -4.135 1.00 0.00 H new ATOM 0 HG SER A 78 -23.773 -20.907 -3.601 1.00 0.00 H new ATOM 1117 N TYR A 79 -19.177 -19.642 -1.852 1.00 0.00 N ATOM 1118 CA TYR A 79 -18.476 -19.365 -0.563 1.00 0.00 C ATOM 1119 C TYR A 79 -18.776 -17.930 -0.105 1.00 0.00 C ATOM 1120 O TYR A 79 -19.828 -17.394 -0.391 1.00 0.00 O ATOM 1121 CB TYR A 79 -16.990 -19.539 -0.877 1.00 0.00 C ATOM 1122 CG TYR A 79 -16.780 -20.819 -1.648 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -16.955 -20.835 -3.038 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -16.404 -21.988 -0.976 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -16.756 -22.019 -3.753 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -16.205 -23.172 -1.693 1.00 0.00 C ATOM 1127 CZ TYR A 79 -16.381 -23.187 -3.081 1.00 0.00 C ATOM 1128 OH TYR A 79 -16.187 -24.354 -3.787 1.00 0.00 O ATOM 0 H TYR A 79 -19.115 -18.898 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 79 -18.797 -20.028 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -16.629 -18.690 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.413 -19.561 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -17.244 -19.933 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -16.268 -21.976 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.892 -22.032 -4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.916 -24.075 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.637 -24.969 -3.258 1.00 0.00 H new ATOM 1138 N SER A 80 -17.871 -17.298 0.601 1.00 0.00 N ATOM 1139 CA SER A 80 -18.144 -15.900 1.058 1.00 0.00 C ATOM 1140 C SER A 80 -16.842 -15.180 1.479 1.00 0.00 C ATOM 1141 O SER A 80 -16.066 -14.753 0.650 1.00 0.00 O ATOM 1142 CB SER A 80 -19.088 -16.057 2.251 1.00 0.00 C ATOM 1143 OG SER A 80 -18.380 -16.642 3.336 1.00 0.00 O ATOM 0 H SER A 80 -16.968 -17.682 0.878 1.00 0.00 H new ATOM 0 HA SER A 80 -18.577 -15.292 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.487 -15.086 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 80 -19.938 -16.682 1.977 1.00 0.00 H new ATOM 0 HG SER A 80 -18.982 -16.743 4.103 1.00 0.00 H new ATOM 1149 N TYR A 81 -16.607 -15.012 2.761 1.00 0.00 N ATOM 1150 CA TYR A 81 -15.372 -14.295 3.213 1.00 0.00 C ATOM 1151 C TYR A 81 -14.442 -15.255 3.974 1.00 0.00 C ATOM 1152 O TYR A 81 -13.533 -14.837 4.664 1.00 0.00 O ATOM 1153 CB TYR A 81 -15.914 -13.160 4.108 1.00 0.00 C ATOM 1154 CG TYR A 81 -15.249 -13.132 5.470 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -15.432 -14.194 6.366 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -14.464 -12.034 5.838 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -14.827 -14.156 7.628 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -13.857 -11.998 7.099 1.00 0.00 C ATOM 1159 CZ TYR A 81 -14.039 -13.058 7.994 1.00 0.00 C ATOM 1160 OH TYR A 81 -13.444 -13.019 9.239 1.00 0.00 O ATOM 0 H TYR A 81 -17.216 -15.340 3.511 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.767 -13.906 2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -15.758 -12.203 3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -16.990 -13.282 4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -16.039 -15.041 6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.326 -11.214 5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.968 -14.974 8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.248 -11.152 7.381 1.00 0.00 H new ATOM 0 HH TYR A 81 -12.932 -12.189 9.331 1.00 0.00 H new ATOM 1170 N ASN A 82 -14.657 -16.537 3.852 1.00 0.00 N ATOM 1171 CA ASN A 82 -13.780 -17.505 4.570 1.00 0.00 C ATOM 1172 C ASN A 82 -13.882 -18.895 3.932 1.00 0.00 C ATOM 1173 O ASN A 82 -13.359 -19.126 2.860 1.00 0.00 O ATOM 1174 CB ASN A 82 -14.296 -17.517 6.011 1.00 0.00 C ATOM 1175 CG ASN A 82 -15.826 -17.558 6.011 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -16.434 -18.018 5.066 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -16.477 -17.089 7.041 1.00 0.00 N ATOM 0 H ASN A 82 -15.398 -16.954 3.289 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.728 -17.224 4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.899 -18.382 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.946 -16.630 6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.497 -17.109 7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.966 -16.703 7.835 1.00 0.00 H new ATOM 1184 N ASP A 83 -14.534 -19.830 4.575 1.00 0.00 N ATOM 1185 CA ASP A 83 -14.629 -21.192 3.985 1.00 0.00 C ATOM 1186 C ASP A 83 -13.244 -21.613 3.497 1.00 0.00 C ATOM 1187 O ASP A 83 -12.963 -21.616 2.315 1.00 0.00 O ATOM 1188 CB ASP A 83 -15.606 -21.061 2.815 1.00 0.00 C ATOM 1189 CG ASP A 83 -16.744 -22.070 2.985 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -17.171 -22.267 4.110 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -17.168 -22.627 1.986 1.00 0.00 O ATOM 0 H ASP A 83 -14.999 -19.708 5.474 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.972 -21.943 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.007 -20.048 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.087 -21.237 1.873 1.00 0.00 H new ATOM 1196 N ASN A 84 -12.370 -21.950 4.406 1.00 0.00 N ATOM 1197 CA ASN A 84 -10.992 -22.347 4.004 1.00 0.00 C ATOM 1198 C ASN A 84 -11.019 -23.683 3.264 1.00 0.00 C ATOM 1199 O ASN A 84 -11.482 -24.680 3.781 1.00 0.00 O ATOM 1200 CB ASN A 84 -10.220 -22.485 5.317 1.00 0.00 C ATOM 1201 CG ASN A 84 -8.763 -22.840 5.017 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -8.478 -23.908 4.513 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -7.823 -21.982 5.305 1.00 0.00 N ATOM 0 H ASN A 84 -12.551 -21.967 5.410 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.535 -21.619 3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.270 -21.553 5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.673 -23.258 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.848 -22.208 5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.063 -21.085 5.728 1.00 0.00 H new ATOM 1210 N VAL A 85 -10.521 -23.716 2.058 1.00 0.00 N ATOM 1211 CA VAL A 85 -10.520 -24.996 1.296 1.00 0.00 C ATOM 1212 C VAL A 85 -9.115 -25.598 1.257 1.00 0.00 C ATOM 1213 O VAL A 85 -8.183 -25.006 0.748 1.00 0.00 O ATOM 1214 CB VAL A 85 -10.993 -24.648 -0.114 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -12.456 -24.206 -0.059 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -10.138 -23.521 -0.701 1.00 0.00 C ATOM 0 H VAL A 85 -10.117 -22.917 1.570 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.170 -25.736 1.763 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.895 -25.528 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.799 -23.956 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.066 -25.016 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.548 -23.330 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.488 -23.285 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.220 -22.636 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.096 -23.839 -0.745 1.00 0.00 H new ATOM 1226 N ASP A 86 -8.961 -26.782 1.776 1.00 0.00 N ATOM 1227 CA ASP A 86 -7.625 -27.439 1.753 1.00 0.00 C ATOM 1228 C ASP A 86 -7.448 -28.124 0.400 1.00 0.00 C ATOM 1229 O ASP A 86 -8.301 -28.870 -0.040 1.00 0.00 O ATOM 1230 CB ASP A 86 -7.664 -28.468 2.883 1.00 0.00 C ATOM 1231 CG ASP A 86 -6.294 -29.136 3.011 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -5.390 -28.729 2.301 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -6.173 -30.045 3.816 1.00 0.00 O ATOM 0 H ASP A 86 -9.704 -27.325 2.216 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.798 -26.742 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.933 -27.983 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.429 -29.218 2.680 1.00 0.00 H new ATOM 1238 N PHE A 87 -6.372 -27.861 -0.281 1.00 0.00 N ATOM 1239 CA PHE A 87 -6.189 -28.481 -1.617 1.00 0.00 C ATOM 1240 C PHE A 87 -5.577 -29.872 -1.518 1.00 0.00 C ATOM 1241 O PHE A 87 -4.511 -30.077 -0.973 1.00 0.00 O ATOM 1242 CB PHE A 87 -5.305 -27.511 -2.388 1.00 0.00 C ATOM 1243 CG PHE A 87 -6.207 -26.415 -2.879 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -7.165 -26.702 -3.854 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -6.127 -25.132 -2.329 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -8.048 -25.709 -4.280 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -7.005 -24.134 -2.762 1.00 0.00 C ATOM 1248 CZ PHE A 87 -7.968 -24.426 -3.736 1.00 0.00 C ATOM 0 H PHE A 87 -5.617 -27.248 0.027 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.141 -28.638 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.519 -27.110 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.813 -28.012 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.222 -27.693 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.389 -24.913 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.792 -25.933 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.941 -23.139 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.650 -23.657 -4.067 1.00 0.00 H new ATOM 1258 N LYS A 88 -6.280 -30.828 -2.053 1.00 0.00 N ATOM 1259 CA LYS A 88 -5.817 -32.235 -2.031 1.00 0.00 C ATOM 1260 C LYS A 88 -5.223 -32.609 -3.387 1.00 0.00 C ATOM 1261 O LYS A 88 -5.916 -33.097 -4.258 1.00 0.00 O ATOM 1262 CB LYS A 88 -7.092 -33.030 -1.778 1.00 0.00 C ATOM 1263 CG LYS A 88 -6.922 -33.886 -0.522 1.00 0.00 C ATOM 1264 CD LYS A 88 -6.111 -35.136 -0.861 1.00 0.00 C ATOM 1265 CE LYS A 88 -7.041 -36.348 -0.892 1.00 0.00 C ATOM 1266 NZ LYS A 88 -6.947 -36.933 0.474 1.00 0.00 N ATOM 0 H LYS A 88 -7.178 -30.686 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.046 -32.421 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.937 -32.352 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.313 -33.665 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.418 -33.313 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.898 -34.169 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.621 -35.015 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.325 -35.285 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.064 -36.056 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.731 -37.065 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.558 -37.772 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.963 -37.207 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.254 -36.229 1.175 1.00 0.00 H new ATOM 1280 N CYS A 89 -3.954 -32.384 -3.578 1.00 0.00 N ATOM 1281 CA CYS A 89 -3.334 -32.732 -4.885 1.00 0.00 C ATOM 1282 C CYS A 89 -3.847 -34.094 -5.356 1.00 0.00 C ATOM 1283 O CYS A 89 -3.837 -35.058 -4.616 1.00 0.00 O ATOM 1284 CB CYS A 89 -1.834 -32.779 -4.618 1.00 0.00 C ATOM 1285 SG CYS A 89 -0.975 -31.885 -5.932 1.00 0.00 S ATOM 0 H CYS A 89 -3.322 -31.976 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 89 -3.577 -32.012 -5.666 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.610 -32.332 -3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.491 -33.813 -4.579 1.00 0.00 H new ATOM 1290 N LYS A 90 -4.313 -34.172 -6.574 1.00 0.00 N ATOM 1291 CA LYS A 90 -4.849 -35.467 -7.094 1.00 0.00 C ATOM 1292 C LYS A 90 -4.003 -36.647 -6.597 1.00 0.00 C ATOM 1293 O LYS A 90 -4.272 -37.220 -5.560 1.00 0.00 O ATOM 1294 CB LYS A 90 -4.766 -35.349 -8.616 1.00 0.00 C ATOM 1295 CG LYS A 90 -6.071 -34.758 -9.154 1.00 0.00 C ATOM 1296 CD LYS A 90 -7.178 -35.812 -9.084 1.00 0.00 C ATOM 1297 CE LYS A 90 -7.284 -36.534 -10.429 1.00 0.00 C ATOM 1298 NZ LYS A 90 -7.562 -37.955 -10.079 1.00 0.00 N ATOM 0 H LYS A 90 -4.346 -33.394 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.867 -35.651 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.925 -34.716 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.589 -36.329 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.352 -33.881 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.935 -34.426 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.963 -36.528 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.129 -35.340 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.082 -36.114 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.361 -36.441 -11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.648 -38.517 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.782 -38.329 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.450 -38.013 -9.540 1.00 0.00 H new ATOM 1312 N TYR A 91 -2.986 -37.017 -7.328 1.00 0.00 N ATOM 1313 CA TYR A 91 -2.130 -38.163 -6.893 1.00 0.00 C ATOM 1314 C TYR A 91 -0.714 -38.016 -7.461 1.00 0.00 C ATOM 1315 O TYR A 91 -0.530 -37.773 -8.637 1.00 0.00 O ATOM 1316 CB TYR A 91 -2.812 -39.404 -7.469 1.00 0.00 C ATOM 1317 CG TYR A 91 -2.675 -40.556 -6.501 1.00 0.00 C ATOM 1318 CD1 TYR A 91 -3.391 -40.551 -5.297 1.00 0.00 C ATOM 1319 CD2 TYR A 91 -1.832 -41.632 -6.810 1.00 0.00 C ATOM 1320 CE1 TYR A 91 -3.264 -41.622 -4.403 1.00 0.00 C ATOM 1321 CE2 TYR A 91 -1.706 -42.702 -5.916 1.00 0.00 C ATOM 1322 CZ TYR A 91 -2.421 -42.697 -4.713 1.00 0.00 C ATOM 1323 OH TYR A 91 -2.296 -43.753 -3.832 1.00 0.00 O ATOM 0 H TYR A 91 -2.710 -36.578 -8.206 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.031 -38.216 -5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.866 -39.198 -7.657 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.363 -39.666 -8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.041 -39.722 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.279 -41.636 -7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.816 -41.619 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.057 -43.531 -6.155 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.674 -44.414 -4.200 1.00 0.00 H new ATOM 1333 N GLY A 92 0.290 -38.160 -6.636 1.00 0.00 N ATOM 1334 CA GLY A 92 1.690 -38.026 -7.134 1.00 0.00 C ATOM 1335 C GLY A 92 1.885 -36.625 -7.716 1.00 0.00 C ATOM 1336 O GLY A 92 2.317 -36.462 -8.839 1.00 0.00 O ATOM 0 H GLY A 92 0.201 -38.364 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.396 -38.196 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.892 -38.780 -7.895 1.00 0.00 H new ATOM 1340 N TYR A 93 1.558 -35.616 -6.958 1.00 0.00 N ATOM 1341 CA TYR A 93 1.707 -34.217 -7.454 1.00 0.00 C ATOM 1342 C TYR A 93 1.792 -33.253 -6.267 1.00 0.00 C ATOM 1343 O TYR A 93 1.167 -33.456 -5.244 1.00 0.00 O ATOM 1344 CB TYR A 93 0.437 -33.957 -8.261 1.00 0.00 C ATOM 1345 CG TYR A 93 0.487 -34.715 -9.567 1.00 0.00 C ATOM 1346 CD1 TYR A 93 1.590 -34.586 -10.420 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -0.580 -35.549 -9.925 1.00 0.00 C ATOM 1348 CE1 TYR A 93 1.625 -35.293 -11.630 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -0.544 -36.254 -11.133 1.00 0.00 C ATOM 1350 CZ TYR A 93 0.558 -36.126 -11.985 1.00 0.00 C ATOM 1351 OH TYR A 93 0.594 -36.823 -13.176 1.00 0.00 O ATOM 0 H TYR A 93 1.191 -35.700 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 93 2.609 -34.075 -8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.437 -34.264 -7.687 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.332 -32.890 -8.455 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.413 -33.942 -10.146 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.431 -35.648 -9.268 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.476 -35.195 -12.288 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.367 -36.897 -11.408 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.224 -37.355 -13.269 1.00 0.00 H new ATOM 1361 N LYS A 94 2.553 -32.205 -6.396 1.00 0.00 N ATOM 1362 CA LYS A 94 2.671 -31.228 -5.277 1.00 0.00 C ATOM 1363 C LYS A 94 1.836 -29.987 -5.592 1.00 0.00 C ATOM 1364 O LYS A 94 1.605 -29.667 -6.734 1.00 0.00 O ATOM 1365 CB LYS A 94 4.157 -30.874 -5.215 1.00 0.00 C ATOM 1366 CG LYS A 94 4.563 -30.627 -3.761 1.00 0.00 C ATOM 1367 CD LYS A 94 5.115 -29.208 -3.620 1.00 0.00 C ATOM 1368 CE LYS A 94 6.619 -29.272 -3.342 1.00 0.00 C ATOM 1369 NZ LYS A 94 6.818 -28.456 -2.111 1.00 0.00 N ATOM 0 H LYS A 94 3.099 -31.981 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 94 2.313 -31.629 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.752 -31.683 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.355 -29.986 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.703 -30.761 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.315 -31.354 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.926 -28.641 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.606 -28.687 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.949 -30.300 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.192 -28.872 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.826 -28.452 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.501 -27.481 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.266 -28.865 -1.330 1.00 0.00 H new ATOM 1383 N LEU A 95 1.375 -29.286 -4.599 1.00 0.00 N ATOM 1384 CA LEU A 95 0.554 -28.074 -4.880 1.00 0.00 C ATOM 1385 C LEU A 95 1.453 -26.837 -4.961 1.00 0.00 C ATOM 1386 O LEU A 95 1.814 -26.252 -3.959 1.00 0.00 O ATOM 1387 CB LEU A 95 -0.411 -27.968 -3.699 1.00 0.00 C ATOM 1388 CG LEU A 95 -1.537 -28.992 -3.860 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -1.853 -29.618 -2.501 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -2.791 -28.298 -4.397 1.00 0.00 C ATOM 0 H LEU A 95 1.527 -29.494 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 95 0.024 -28.141 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.122 -28.143 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.826 -26.962 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.222 -29.767 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.655 -30.348 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.963 -30.114 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.166 -28.839 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.591 -29.029 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.105 -27.522 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.571 -27.847 -5.365 1.00 0.00 H new ATOM 1402 N SER A 96 1.818 -26.435 -6.149 1.00 0.00 N ATOM 1403 CA SER A 96 2.694 -25.239 -6.295 1.00 0.00 C ATOM 1404 C SER A 96 1.863 -23.957 -6.186 1.00 0.00 C ATOM 1405 O SER A 96 1.119 -23.614 -7.082 1.00 0.00 O ATOM 1406 CB SER A 96 3.307 -25.362 -7.690 1.00 0.00 C ATOM 1407 OG SER A 96 3.958 -24.143 -8.028 1.00 0.00 O ATOM 0 H SER A 96 1.547 -26.884 -7.024 1.00 0.00 H new ATOM 0 HA SER A 96 3.457 -25.191 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.019 -26.187 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.531 -25.588 -8.422 1.00 0.00 H new ATOM 0 HG SER A 96 4.353 -24.220 -8.921 1.00 0.00 H new ATOM 1413 N GLY A 97 1.988 -23.240 -5.101 1.00 0.00 N ATOM 1414 CA GLY A 97 1.207 -21.979 -4.957 1.00 0.00 C ATOM 1415 C GLY A 97 0.478 -21.949 -3.612 1.00 0.00 C ATOM 1416 O GLY A 97 0.281 -20.900 -3.033 1.00 0.00 O ATOM 0 H GLY A 97 2.593 -23.472 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.874 -21.121 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.486 -21.897 -5.770 1.00 0.00 H new ATOM 1420 N SER A 98 0.066 -23.082 -3.110 1.00 0.00 N ATOM 1421 CA SER A 98 -0.659 -23.090 -1.802 1.00 0.00 C ATOM 1422 C SER A 98 -1.112 -24.502 -1.431 1.00 0.00 C ATOM 1423 O SER A 98 -0.713 -25.484 -2.026 1.00 0.00 O ATOM 1424 CB SER A 98 -1.874 -22.188 -2.022 1.00 0.00 C ATOM 1425 OG SER A 98 -2.515 -22.551 -3.237 1.00 0.00 O ATOM 0 H SER A 98 0.197 -23.996 -3.543 1.00 0.00 H new ATOM 0 HA SER A 98 -0.022 -22.745 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.569 -22.285 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.564 -21.144 -2.059 1.00 0.00 H new ATOM 0 HG SER A 98 -3.030 -21.789 -3.575 1.00 0.00 H new ATOM 1431 N SER A 99 -1.946 -24.593 -0.439 1.00 0.00 N ATOM 1432 CA SER A 99 -2.458 -25.924 0.010 1.00 0.00 C ATOM 1433 C SER A 99 -3.744 -25.740 0.817 1.00 0.00 C ATOM 1434 O SER A 99 -4.649 -26.544 0.750 1.00 0.00 O ATOM 1435 CB SER A 99 -1.349 -26.507 0.885 1.00 0.00 C ATOM 1436 OG SER A 99 -0.744 -25.463 1.636 1.00 0.00 O ATOM 0 H SER A 99 -2.302 -23.797 0.089 1.00 0.00 H new ATOM 0 HA SER A 99 -2.696 -26.582 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.759 -27.262 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.603 -27.003 0.264 1.00 0.00 H new ATOM 0 HG SER A 99 -0.033 -25.835 2.199 1.00 0.00 H new ATOM 1442 N SER A 100 -3.836 -24.682 1.570 1.00 0.00 N ATOM 1443 CA SER A 100 -5.070 -24.438 2.369 1.00 0.00 C ATOM 1444 C SER A 100 -5.552 -23.003 2.142 1.00 0.00 C ATOM 1445 O SER A 100 -5.264 -22.110 2.914 1.00 0.00 O ATOM 1446 CB SER A 100 -4.652 -24.650 3.822 1.00 0.00 C ATOM 1447 OG SER A 100 -3.782 -23.598 4.220 1.00 0.00 O ATOM 0 H SER A 100 -3.109 -23.973 1.668 1.00 0.00 H new ATOM 0 HA SER A 100 -5.890 -25.100 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.531 -24.673 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.152 -25.612 3.932 1.00 0.00 H new ATOM 0 HG SER A 100 -4.263 -22.745 4.185 1.00 0.00 H new ATOM 1453 N SER A 101 -6.272 -22.776 1.079 1.00 0.00 N ATOM 1454 CA SER A 101 -6.762 -21.396 0.788 1.00 0.00 C ATOM 1455 C SER A 101 -8.133 -21.163 1.405 1.00 0.00 C ATOM 1456 O SER A 101 -8.728 -22.046 1.990 1.00 0.00 O ATOM 1457 CB SER A 101 -6.840 -21.312 -0.735 1.00 0.00 C ATOM 1458 OG SER A 101 -5.637 -21.822 -1.295 1.00 0.00 O ATOM 0 H SER A 101 -6.543 -23.485 0.398 1.00 0.00 H new ATOM 0 HA SER A 101 -6.101 -20.638 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.695 -21.882 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.990 -20.278 -1.047 1.00 0.00 H new ATOM 0 HG SER A 101 -5.747 -22.775 -1.494 1.00 0.00 H new ATOM 1464 N THR A 102 -8.633 -19.967 1.285 1.00 0.00 N ATOM 1465 CA THR A 102 -9.959 -19.655 1.867 1.00 0.00 C ATOM 1466 C THR A 102 -10.644 -18.554 1.064 1.00 0.00 C ATOM 1467 O THR A 102 -10.014 -17.625 0.595 1.00 0.00 O ATOM 1468 CB THR A 102 -9.658 -19.173 3.285 1.00 0.00 C ATOM 1469 OG1 THR A 102 -8.562 -19.907 3.814 1.00 0.00 O ATOM 1470 CG2 THR A 102 -10.887 -19.387 4.160 1.00 0.00 C ATOM 0 H THR A 102 -8.176 -19.191 0.806 1.00 0.00 H new ATOM 0 HA THR A 102 -10.628 -20.515 1.858 1.00 0.00 H new ATOM 0 HB THR A 102 -9.405 -18.113 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.165 -19.410 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.676 -19.044 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.726 -18.823 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.139 -20.447 4.181 1.00 0.00 H new ATOM 1478 N CYS A 103 -11.932 -18.648 0.910 1.00 0.00 N ATOM 1479 CA CYS A 103 -12.666 -17.606 0.148 1.00 0.00 C ATOM 1480 C CYS A 103 -12.798 -16.344 1.000 1.00 0.00 C ATOM 1481 O CYS A 103 -13.836 -16.074 1.571 1.00 0.00 O ATOM 1482 CB CYS A 103 -14.038 -18.211 -0.126 1.00 0.00 C ATOM 1483 SG CYS A 103 -15.152 -16.912 -0.701 1.00 0.00 S ATOM 0 H CYS A 103 -12.509 -19.403 1.280 1.00 0.00 H new ATOM 0 HA CYS A 103 -12.157 -17.324 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -13.959 -18.998 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -14.433 -18.672 0.779 1.00 0.00 H new ATOM 1488 N SER A 104 -11.755 -15.575 1.095 1.00 0.00 N ATOM 1489 CA SER A 104 -11.817 -14.335 1.916 1.00 0.00 C ATOM 1490 C SER A 104 -12.820 -13.353 1.323 1.00 0.00 C ATOM 1491 O SER A 104 -13.405 -13.605 0.287 1.00 0.00 O ATOM 1492 CB SER A 104 -10.403 -13.758 1.860 1.00 0.00 C ATOM 1493 OG SER A 104 -9.896 -13.620 3.180 1.00 0.00 O ATOM 0 H SER A 104 -10.859 -15.750 0.640 1.00 0.00 H new ATOM 0 HA SER A 104 -12.140 -14.533 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.755 -14.412 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.413 -12.790 1.360 1.00 0.00 H new ATOM 0 HG SER A 104 -8.989 -13.252 3.145 1.00 0.00 H new ATOM 1499 N PRO A 105 -12.981 -12.258 2.010 1.00 0.00 N ATOM 1500 CA PRO A 105 -13.921 -11.211 1.559 1.00 0.00 C ATOM 1501 C PRO A 105 -13.385 -10.529 0.304 1.00 0.00 C ATOM 1502 O PRO A 105 -12.234 -10.146 0.231 1.00 0.00 O ATOM 1503 CB PRO A 105 -13.982 -10.247 2.736 1.00 0.00 C ATOM 1504 CG PRO A 105 -12.697 -10.455 3.470 1.00 0.00 C ATOM 1505 CD PRO A 105 -12.304 -11.893 3.258 1.00 0.00 C ATOM 0 HA PRO A 105 -14.905 -11.597 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -14.081 -9.216 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -14.840 -10.457 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.924 -9.784 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -12.819 -10.240 4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.223 -12.004 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -12.626 -12.523 4.087 1.00 0.00 H new ATOM 1513 N GLY A 106 -14.211 -10.391 -0.689 1.00 0.00 N ATOM 1514 CA GLY A 106 -13.759 -9.756 -1.953 1.00 0.00 C ATOM 1515 C GLY A 106 -13.972 -10.744 -3.101 1.00 0.00 C ATOM 1516 O GLY A 106 -13.868 -10.393 -4.258 1.00 0.00 O ATOM 0 H GLY A 106 -15.185 -10.692 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.318 -8.838 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.707 -9.480 -1.882 1.00 0.00 H new ATOM 1520 N ASN A 107 -14.275 -11.981 -2.775 1.00 0.00 N ATOM 1521 CA ASN A 107 -14.516 -13.030 -3.816 1.00 0.00 C ATOM 1522 C ASN A 107 -13.197 -13.566 -4.360 1.00 0.00 C ATOM 1523 O ASN A 107 -12.640 -13.037 -5.301 1.00 0.00 O ATOM 1524 CB ASN A 107 -15.329 -12.359 -4.931 1.00 0.00 C ATOM 1525 CG ASN A 107 -16.381 -11.425 -4.323 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -17.170 -11.833 -3.495 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -16.427 -10.178 -4.706 1.00 0.00 N ATOM 0 H ASN A 107 -14.366 -12.311 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.053 -13.880 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.666 -11.795 -5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.815 -13.117 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -17.125 -9.548 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.765 -9.833 -5.401 1.00 0.00 H new ATOM 1534 N THR A 108 -12.694 -14.623 -3.779 1.00 0.00 N ATOM 1535 CA THR A 108 -11.414 -15.191 -4.277 1.00 0.00 C ATOM 1536 C THR A 108 -11.025 -16.451 -3.513 1.00 0.00 C ATOM 1537 O THR A 108 -11.832 -17.074 -2.851 1.00 0.00 O ATOM 1538 CB THR A 108 -10.374 -14.101 -4.049 1.00 0.00 C ATOM 1539 OG1 THR A 108 -10.935 -13.049 -3.275 1.00 0.00 O ATOM 1540 CG2 THR A 108 -9.930 -13.568 -5.400 1.00 0.00 C ATOM 0 H THR A 108 -13.112 -15.112 -2.988 1.00 0.00 H new ATOM 0 HA THR A 108 -11.495 -15.479 -5.325 1.00 0.00 H new ATOM 0 HB THR A 108 -9.519 -14.510 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.260 -12.353 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.185 -12.786 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.497 -14.378 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.790 -13.157 -5.929 1.00 0.00 H new ATOM 1548 N TRP A 109 -9.782 -16.828 -3.614 1.00 0.00 N ATOM 1549 CA TRP A 109 -9.302 -18.048 -2.916 1.00 0.00 C ATOM 1550 C TRP A 109 -7.840 -17.872 -2.507 1.00 0.00 C ATOM 1551 O TRP A 109 -6.935 -18.310 -3.189 1.00 0.00 O ATOM 1552 CB TRP A 109 -9.458 -19.159 -3.947 1.00 0.00 C ATOM 1553 CG TRP A 109 -10.849 -19.692 -3.865 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -11.743 -19.721 -4.883 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -11.524 -20.263 -2.709 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -12.921 -20.284 -4.422 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -12.833 -20.635 -3.089 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -11.127 -20.497 -1.380 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -13.719 -21.219 -2.183 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -12.014 -21.085 -0.465 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -13.307 -21.446 -0.865 1.00 0.00 C ATOM 0 H TRP A 109 -9.072 -16.336 -4.157 1.00 0.00 H new ATOM 0 HA TRP A 109 -9.855 -18.264 -2.002 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -9.258 -18.777 -4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -8.736 -19.954 -3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -11.566 -19.364 -5.887 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -13.752 -20.423 -4.997 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -10.132 -20.222 -1.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -14.715 -21.494 -2.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.698 -21.260 0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -13.985 -21.899 -0.157 1.00 0.00 H new ATOM 1572 N LYS A 110 -7.604 -17.225 -1.398 1.00 0.00 N ATOM 1573 CA LYS A 110 -6.200 -17.013 -0.945 1.00 0.00 C ATOM 1574 C LYS A 110 -5.771 -18.156 -0.015 1.00 0.00 C ATOM 1575 O LYS A 110 -6.582 -18.680 0.723 1.00 0.00 O ATOM 1576 CB LYS A 110 -6.215 -15.684 -0.185 1.00 0.00 C ATOM 1577 CG LYS A 110 -7.081 -14.664 -0.930 1.00 0.00 C ATOM 1578 CD LYS A 110 -6.753 -14.700 -2.425 1.00 0.00 C ATOM 1579 CE LYS A 110 -6.626 -13.269 -2.952 1.00 0.00 C ATOM 1580 NZ LYS A 110 -6.030 -13.410 -4.310 1.00 0.00 N ATOM 0 H LYS A 110 -8.322 -16.835 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.498 -16.993 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.603 -15.836 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.199 -15.304 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.137 -14.887 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.904 -13.664 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.824 -15.244 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.535 -15.231 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.598 -12.777 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.992 -12.664 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.912 -12.469 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.103 -13.875 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.659 -13.984 -4.907 1.00 0.00 H new ATOM 1594 N PRO A 111 -4.509 -18.509 -0.075 1.00 0.00 N ATOM 1595 CA PRO A 111 -3.555 -17.838 -0.994 1.00 0.00 C ATOM 1596 C PRO A 111 -3.781 -18.304 -2.434 1.00 0.00 C ATOM 1597 O PRO A 111 -4.608 -19.154 -2.697 1.00 0.00 O ATOM 1598 CB PRO A 111 -2.189 -18.285 -0.482 1.00 0.00 C ATOM 1599 CG PRO A 111 -2.437 -19.580 0.223 1.00 0.00 C ATOM 1600 CD PRO A 111 -3.863 -19.564 0.712 1.00 0.00 C ATOM 0 HA PRO A 111 -3.664 -16.754 -1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -1.484 -18.413 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.761 -17.545 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.272 -20.421 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.747 -19.700 1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -4.347 -20.528 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -3.914 -19.351 1.780 1.00 0.00 H new ATOM 1608 N GLU A 112 -3.058 -17.739 -3.364 1.00 0.00 N ATOM 1609 CA GLU A 112 -3.224 -18.129 -4.798 1.00 0.00 C ATOM 1610 C GLU A 112 -3.489 -19.631 -4.924 1.00 0.00 C ATOM 1611 O GLU A 112 -2.725 -20.448 -4.449 1.00 0.00 O ATOM 1612 CB GLU A 112 -1.894 -17.766 -5.459 1.00 0.00 C ATOM 1613 CG GLU A 112 -2.156 -16.922 -6.708 1.00 0.00 C ATOM 1614 CD GLU A 112 -1.238 -17.385 -7.842 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -0.267 -18.065 -7.551 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -1.522 -17.053 -8.981 1.00 0.00 O ATOM 0 H GLU A 112 -2.355 -17.020 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.070 -17.623 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.267 -17.213 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.350 -18.672 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.199 -17.015 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.980 -15.868 -6.491 1.00 0.00 H new ATOM 1623 N LEU A 113 -4.567 -20.001 -5.564 1.00 0.00 N ATOM 1624 CA LEU A 113 -4.880 -21.450 -5.725 1.00 0.00 C ATOM 1625 C LEU A 113 -3.609 -22.219 -6.082 1.00 0.00 C ATOM 1626 O LEU A 113 -2.805 -21.766 -6.874 1.00 0.00 O ATOM 1627 CB LEU A 113 -5.899 -21.509 -6.863 1.00 0.00 C ATOM 1628 CG LEU A 113 -7.225 -22.084 -6.347 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -7.565 -21.489 -4.974 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -8.337 -21.737 -7.338 1.00 0.00 C ATOM 0 H LEU A 113 -5.244 -19.362 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.273 -21.900 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.060 -20.511 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.516 -22.127 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.132 -23.166 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -8.508 -21.906 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.773 -21.732 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.656 -20.406 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.283 -22.142 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.417 -20.654 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.104 -22.168 -8.312 1.00 0.00 H new ATOM 1642 N PRO A 114 -3.464 -23.351 -5.458 1.00 0.00 N ATOM 1643 CA PRO A 114 -2.269 -24.198 -5.675 1.00 0.00 C ATOM 1644 C PRO A 114 -2.324 -24.915 -7.026 1.00 0.00 C ATOM 1645 O PRO A 114 -3.356 -24.993 -7.662 1.00 0.00 O ATOM 1646 CB PRO A 114 -2.341 -25.202 -4.533 1.00 0.00 C ATOM 1647 CG PRO A 114 -3.785 -25.273 -4.156 1.00 0.00 C ATOM 1648 CD PRO A 114 -4.399 -23.944 -4.495 1.00 0.00 C ATOM 0 HA PRO A 114 -1.345 -23.621 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.968 -26.178 -4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -1.730 -24.881 -3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.285 -26.077 -4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -3.895 -25.488 -3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.393 -24.063 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.509 -23.318 -3.609 1.00 0.00 H new ATOM 1656 N LYS A 115 -1.211 -25.445 -7.461 1.00 0.00 N ATOM 1657 CA LYS A 115 -1.178 -26.168 -8.764 1.00 0.00 C ATOM 1658 C LYS A 115 -0.587 -27.565 -8.570 1.00 0.00 C ATOM 1659 O LYS A 115 0.604 -27.724 -8.400 1.00 0.00 O ATOM 1660 CB LYS A 115 -0.277 -25.320 -9.665 1.00 0.00 C ATOM 1661 CG LYS A 115 0.190 -26.153 -10.861 1.00 0.00 C ATOM 1662 CD LYS A 115 1.220 -25.355 -11.663 1.00 0.00 C ATOM 1663 CE LYS A 115 0.514 -24.596 -12.788 1.00 0.00 C ATOM 1664 NZ LYS A 115 1.470 -23.525 -13.188 1.00 0.00 N ATOM 0 H LYS A 115 -0.320 -25.407 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.171 -26.299 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.819 -24.440 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.584 -24.962 -9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.627 -27.090 -10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.660 -26.410 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 115 1.742 -24.656 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.972 -26.026 -12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.286 -25.255 -13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.432 -24.174 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 1.057 -22.960 -13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 1.663 -22.910 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 2.358 -23.957 -13.514 1.00 0.00 H new ATOM 1678 N CYS A 116 -1.408 -28.580 -8.590 1.00 0.00 N ATOM 1679 CA CYS A 116 -0.884 -29.962 -8.405 1.00 0.00 C ATOM 1680 C CYS A 116 0.208 -30.246 -9.438 1.00 0.00 C ATOM 1681 O CYS A 116 -0.039 -30.778 -10.502 1.00 0.00 O ATOM 1682 CB CYS A 116 -2.100 -30.868 -8.617 1.00 0.00 C ATOM 1683 SG CYS A 116 -1.987 -32.380 -7.613 1.00 0.00 S ATOM 0 H CYS A 116 -2.417 -28.512 -8.726 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.433 -30.119 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.009 -30.325 -8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -2.177 -31.135 -9.671 1.00 0.00 H new ATOM 1688 N VAL A 117 1.417 -29.888 -9.115 1.00 0.00 N ATOM 1689 CA VAL A 117 2.555 -30.122 -10.050 1.00 0.00 C ATOM 1690 C VAL A 117 3.309 -31.372 -9.664 1.00 0.00 C ATOM 1691 O VAL A 117 2.903 -32.124 -8.801 1.00 0.00 O ATOM 1692 CB VAL A 117 3.487 -28.915 -9.923 1.00 0.00 C ATOM 1693 CG1 VAL A 117 3.012 -27.839 -10.872 1.00 0.00 C ATOM 1694 CG2 VAL A 117 3.491 -28.365 -8.493 1.00 0.00 C ATOM 0 H VAL A 117 1.670 -29.439 -8.235 1.00 0.00 H new ATOM 0 HA VAL A 117 2.190 -30.246 -11.070 1.00 0.00 H new ATOM 0 HB VAL A 117 4.502 -29.226 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.666 -26.971 -10.794 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.034 -28.219 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.993 -27.550 -10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.162 -27.508 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.482 -28.055 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.831 -29.140 -7.806 1.00 0.00 H new ATOM 1704 N ARG A 118 4.411 -31.596 -10.304 1.00 0.00 N ATOM 1705 CA ARG A 118 5.201 -32.799 -9.980 1.00 0.00 C ATOM 1706 C ARG A 118 6.304 -32.461 -8.973 1.00 0.00 C ATOM 1707 O ARG A 118 6.532 -31.284 -8.745 1.00 0.00 O ATOM 1708 CB ARG A 118 5.802 -33.263 -11.306 1.00 0.00 C ATOM 1709 CG ARG A 118 4.691 -33.781 -12.220 1.00 0.00 C ATOM 1710 CD ARG A 118 5.283 -34.759 -13.238 1.00 0.00 C ATOM 1711 NE ARG A 118 5.619 -33.922 -14.423 1.00 0.00 N ATOM 1712 CZ ARG A 118 5.172 -34.250 -15.604 1.00 0.00 C ATOM 1713 NH1 ARG A 118 5.135 -35.504 -15.964 1.00 0.00 N ATOM 1714 NH2 ARG A 118 4.760 -33.325 -16.426 1.00 0.00 N ATOM 1715 OXT ARG A 118 6.903 -33.385 -8.447 1.00 0.00 O ATOM 0 H ARG A 118 4.798 -30.999 -11.036 1.00 0.00 H new ATOM 0 HA ARG A 118 4.588 -33.576 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.327 -32.438 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.537 -34.049 -11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.921 -34.276 -11.629 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.212 -32.949 -12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.169 -35.255 -12.841 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.569 -35.541 -13.496 1.00 0.00 H new ATOM 0 HE ARG A 118 6.200 -33.091 -14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.456 -36.229 -15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.785 -35.759 -16.888 1.00 0.00 H new ATOM 0 HH21 ARG A 118 4.787 -32.345 -16.146 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.411 -33.582 -17.349 1.00 0.00 H new