USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 86 HIS : no HE2:sc= -3.21! C(o=-3.9!,f=-3.6!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 177:sc= -0.638 (180deg=-0.672) USER MOD Set 2.1: A 29 ASN :FLIP amide:sc= -4.17! C(o=-13!,f=-10!) USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= -5.97! C(o=-15!,f=-10!) USER MOD Set 3.1: A 20 ASN : amide:sc= -3.05! C(o=-3.1!,f=-5.1!) USER MOD Set 3.2: A 30 MET CE :methyl -172:sc= -0.0241 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.322 F(o=-1.3!,f=-0.32) USER MOD Single : A 13 GLN : amide:sc= -1.91 K(o=-1.9,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= -0.0315 (180deg=-0.606) USER MOD Single : A 18 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.61) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD Single : A 27 GLN : amide:sc= -3.97! C(o=-4!,f=-5.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -5! C(o=-11!,f=-5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -0.0377 K(o=-0.038,f=-0.98) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.147! C(o=0.15!,f=-5.8!) USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.126) USER MOD Single : A 49 GLN :FLIP amide:sc= -11! C(o=-15!,f=-11!) USER MOD Single : A 53 SER OG : rot 175:sc= -0.818 USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 0.125 (180deg=-0.00418) USER MOD Single : A 58 GLN :FLIP amide:sc= -1.36 F(o=-3.1!,f=-1.4) USER MOD Single : A 60 MET CE :methyl -109:sc= -1.03 (180deg=-4.32!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0216 (180deg=-0.254) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.81 F(o=-2.3!,f=-0.81) USER MOD Single : A 66 GLN : amide:sc= -4.97! C(o=-5!,f=-6.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 80 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.17) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0631 K(o=-0.063,f=-0.73) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 88 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.53) USER MOD Single : A 94 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.013) USER MOD Single : A 95 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-3.9!) USER MOD Single : A 101 HIS : no HD1:sc= -6.07! C(o=-6.1!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.444 -19.752 -10.551 1.00 0.00 N ATOM 2 CA MET A 1 2.778 -18.366 -10.118 1.00 0.00 C ATOM 3 C MET A 1 2.015 -17.361 -10.984 1.00 0.00 C ATOM 4 O MET A 1 2.539 -16.831 -11.944 1.00 0.00 O ATOM 5 CB MET A 1 4.282 -18.133 -10.271 1.00 0.00 C ATOM 6 CG MET A 1 4.600 -16.657 -10.030 1.00 0.00 C ATOM 7 SD MET A 1 6.345 -16.478 -9.583 1.00 0.00 S ATOM 8 CE MET A 1 6.817 -15.383 -10.944 1.00 0.00 C ATOM 0 H1 MET A 1 2.963 -20.434 -9.962 1.00 0.00 H new ATOM 0 H2 MET A 1 1.422 -19.911 -10.446 1.00 0.00 H new ATOM 0 H3 MET A 1 2.714 -19.879 -11.547 1.00 0.00 H new ATOM 0 HA MET A 1 2.494 -18.234 -9.074 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.830 -18.754 -9.562 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.606 -18.427 -11.269 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.382 -16.076 -10.926 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.968 -16.263 -9.234 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.876 -15.139 -10.864 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.630 -15.883 -11.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.229 -14.467 -10.894 1.00 0.00 H new ATOM 20 N TYR A 2 0.780 -17.096 -10.655 1.00 0.00 N ATOM 21 CA TYR A 2 -0.014 -16.127 -11.460 1.00 0.00 C ATOM 22 C TYR A 2 0.893 -14.991 -11.934 1.00 0.00 C ATOM 23 O TYR A 2 1.141 -14.831 -13.112 1.00 0.00 O ATOM 24 CB TYR A 2 -1.143 -15.554 -10.599 1.00 0.00 C ATOM 25 CG TYR A 2 -1.129 -16.216 -9.242 1.00 0.00 C ATOM 26 CD1 TYR A 2 -0.160 -15.856 -8.299 1.00 0.00 C ATOM 27 CD2 TYR A 2 -2.087 -17.189 -8.926 1.00 0.00 C ATOM 28 CE1 TYR A 2 -0.146 -16.469 -7.041 1.00 0.00 C ATOM 29 CE2 TYR A 2 -2.072 -17.801 -7.668 1.00 0.00 C ATOM 30 CZ TYR A 2 -1.103 -17.441 -6.725 1.00 0.00 C ATOM 31 OH TYR A 2 -1.089 -18.045 -5.484 1.00 0.00 O ATOM 0 H TYR A 2 0.287 -17.509 -9.863 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.439 -16.636 -12.325 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.021 -14.476 -10.491 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.105 -15.718 -11.085 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.577 -15.105 -8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.836 -17.466 -9.653 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.603 -16.192 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.809 -18.552 -7.425 1.00 0.00 H new ATOM 0 HH TYR A 2 -1.821 -18.695 -5.428 1.00 0.00 H new ATOM 41 N GLY A 3 1.389 -14.197 -11.025 1.00 0.00 N ATOM 42 CA GLY A 3 2.279 -13.070 -11.424 1.00 0.00 C ATOM 43 C GLY A 3 1.502 -11.754 -11.349 1.00 0.00 C ATOM 44 O GLY A 3 2.061 -10.684 -11.486 1.00 0.00 O ATOM 0 H GLY A 3 1.216 -14.280 -10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.148 -13.029 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.651 -13.228 -12.436 1.00 0.00 H new ATOM 48 N LYS A 4 0.216 -11.824 -11.130 1.00 0.00 N ATOM 49 CA LYS A 4 -0.594 -10.575 -11.043 1.00 0.00 C ATOM 50 C LYS A 4 -0.046 -9.692 -9.927 1.00 0.00 C ATOM 51 O LYS A 4 -0.078 -8.480 -10.012 1.00 0.00 O ATOM 52 CB LYS A 4 -2.051 -10.929 -10.749 1.00 0.00 C ATOM 53 CG LYS A 4 -2.494 -12.062 -11.676 1.00 0.00 C ATOM 54 CD LYS A 4 -3.866 -11.733 -12.268 1.00 0.00 C ATOM 55 CE LYS A 4 -4.190 -12.724 -13.388 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.743 -11.989 -14.560 1.00 0.00 N ATOM 0 H LYS A 4 -0.308 -12.691 -11.008 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.538 -10.039 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.160 -11.232 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.686 -10.055 -10.895 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.765 -12.198 -12.475 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.540 -13.001 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.630 -11.782 -11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.872 -10.715 -12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.291 -13.268 -13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.910 -13.463 -13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.963 -12.663 -15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.611 -11.490 -14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.042 -11.300 -14.900 1.00 0.00 H new ATOM 70 N LEU A 5 0.463 -10.282 -8.879 1.00 0.00 N ATOM 71 CA LEU A 5 1.014 -9.457 -7.772 1.00 0.00 C ATOM 72 C LEU A 5 1.735 -8.256 -8.375 1.00 0.00 C ATOM 73 O LEU A 5 1.461 -7.123 -8.034 1.00 0.00 O ATOM 74 CB LEU A 5 2.009 -10.275 -6.944 1.00 0.00 C ATOM 75 CG LEU A 5 1.319 -11.454 -6.233 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.194 -11.234 -6.110 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.579 -12.739 -7.017 1.00 0.00 C ATOM 0 H LEU A 5 0.520 -11.291 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 5 0.201 -9.131 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.799 -10.653 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.484 -9.631 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 5 1.733 -11.530 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.646 -12.087 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.384 -10.328 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.629 -11.131 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.092 -13.576 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.179 -12.637 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.652 -12.923 -7.069 1.00 0.00 H new ATOM 89 N ASN A 6 2.643 -8.488 -9.282 1.00 0.00 N ATOM 90 CA ASN A 6 3.355 -7.352 -9.909 1.00 0.00 C ATOM 91 C ASN A 6 2.341 -6.243 -10.174 1.00 0.00 C ATOM 92 O ASN A 6 2.581 -5.088 -9.887 1.00 0.00 O ATOM 93 CB ASN A 6 3.981 -7.819 -11.224 1.00 0.00 C ATOM 94 CG ASN A 6 5.501 -7.680 -11.143 1.00 0.00 C ATOM 95 OD1 ASN A 6 6.019 -6.725 -10.422 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 6.225 -8.449 -11.742 1.00 0.00 N flip ATOM 0 H ASN A 6 2.918 -9.413 -9.612 1.00 0.00 H new ATOM 0 HA ASN A 6 4.144 -6.981 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.710 -8.856 -11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.595 -7.227 -12.053 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.820 -9.196 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.238 -8.348 -11.681 1.00 0.00 H new ATOM 103 N ASP A 7 1.194 -6.591 -10.695 1.00 0.00 N ATOM 104 CA ASP A 7 0.156 -5.556 -10.947 1.00 0.00 C ATOM 105 C ASP A 7 -0.170 -4.879 -9.619 1.00 0.00 C ATOM 106 O ASP A 7 -0.400 -3.688 -9.550 1.00 0.00 O ATOM 107 CB ASP A 7 -1.104 -6.218 -11.507 1.00 0.00 C ATOM 108 CG ASP A 7 -2.085 -5.143 -11.981 1.00 0.00 C ATOM 109 OD1 ASP A 7 -2.597 -4.424 -11.138 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.307 -5.058 -13.177 1.00 0.00 O ATOM 0 H ASP A 7 0.934 -7.543 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 7 0.519 -4.823 -11.668 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.843 -6.876 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.571 -6.838 -10.742 1.00 0.00 H new ATOM 115 N LEU A 8 -0.170 -5.638 -8.558 1.00 0.00 N ATOM 116 CA LEU A 8 -0.455 -5.057 -7.218 1.00 0.00 C ATOM 117 C LEU A 8 0.803 -4.353 -6.721 1.00 0.00 C ATOM 118 O LEU A 8 0.786 -3.199 -6.340 1.00 0.00 O ATOM 119 CB LEU A 8 -0.800 -6.183 -6.233 1.00 0.00 C ATOM 120 CG LEU A 8 -2.307 -6.254 -5.996 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.816 -4.891 -5.532 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.010 -6.664 -7.294 1.00 0.00 C ATOM 0 H LEU A 8 0.016 -6.641 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.289 -4.359 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.444 -7.136 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.286 -6.014 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.522 -6.995 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.892 -4.943 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.316 -4.612 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.604 -4.144 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.086 -6.715 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.799 -5.928 -8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.646 -7.641 -7.612 1.00 0.00 H new ATOM 134 N LEU A 9 1.895 -5.062 -6.719 1.00 0.00 N ATOM 135 CA LEU A 9 3.180 -4.486 -6.248 1.00 0.00 C ATOM 136 C LEU A 9 3.464 -3.165 -6.965 1.00 0.00 C ATOM 137 O LEU A 9 3.657 -2.140 -6.343 1.00 0.00 O ATOM 138 CB LEU A 9 4.299 -5.480 -6.563 1.00 0.00 C ATOM 139 CG LEU A 9 5.477 -5.259 -5.616 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.538 -6.329 -5.872 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.086 -3.879 -5.863 1.00 0.00 C ATOM 0 H LEU A 9 1.951 -6.032 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 9 3.124 -4.298 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.929 -6.500 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.625 -5.358 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 9 5.128 -5.322 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.381 -6.175 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.109 -7.316 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.882 -6.261 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.926 -3.725 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.435 -3.814 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.332 -3.112 -5.686 1.00 0.00 H new ATOM 153 N GLU A 10 3.509 -3.186 -8.268 1.00 0.00 N ATOM 154 CA GLU A 10 3.804 -1.934 -9.020 1.00 0.00 C ATOM 155 C GLU A 10 2.781 -0.850 -8.667 1.00 0.00 C ATOM 156 O GLU A 10 3.131 0.233 -8.242 1.00 0.00 O ATOM 157 CB GLU A 10 3.747 -2.212 -10.523 1.00 0.00 C ATOM 158 CG GLU A 10 5.168 -2.266 -11.086 1.00 0.00 C ATOM 159 CD GLU A 10 5.732 -0.847 -11.183 1.00 0.00 C ATOM 160 OE1 GLU A 10 5.810 -0.192 -10.156 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.075 -0.441 -12.280 1.00 0.00 O ATOM 0 H GLU A 10 3.355 -4.014 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 10 4.801 -1.587 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.234 -3.156 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.174 -1.433 -11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.802 -2.878 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.163 -2.735 -12.070 1.00 0.00 H new ATOM 168 N ASP A 11 1.520 -1.127 -8.852 1.00 0.00 N ATOM 169 CA ASP A 11 0.477 -0.108 -8.542 1.00 0.00 C ATOM 170 C ASP A 11 0.585 0.332 -7.079 1.00 0.00 C ATOM 171 O ASP A 11 0.376 1.483 -6.753 1.00 0.00 O ATOM 172 CB ASP A 11 -0.909 -0.709 -8.791 1.00 0.00 C ATOM 173 CG ASP A 11 -1.142 -0.854 -10.295 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.177 -0.760 -11.037 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.281 -1.058 -10.681 1.00 0.00 O ATOM 0 H ASP A 11 1.166 -2.016 -9.205 1.00 0.00 H new ATOM 0 HA ASP A 11 0.626 0.760 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.987 -1.682 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.677 -0.071 -8.354 1.00 0.00 H new ATOM 180 N LEU A 12 0.900 -0.572 -6.195 1.00 0.00 N ATOM 181 CA LEU A 12 1.007 -0.201 -4.753 1.00 0.00 C ATOM 182 C LEU A 12 2.263 0.644 -4.520 1.00 0.00 C ATOM 183 O LEU A 12 2.243 1.607 -3.778 1.00 0.00 O ATOM 184 CB LEU A 12 1.083 -1.480 -3.911 1.00 0.00 C ATOM 185 CG LEU A 12 1.573 -1.152 -2.498 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.630 -0.139 -1.848 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.595 -2.436 -1.663 1.00 0.00 C ATOM 0 H LEU A 12 1.088 -1.552 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 12 0.132 0.381 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.102 -1.952 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.758 -2.195 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 12 2.576 -0.728 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.982 0.092 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.609 0.773 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.374 -0.560 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.943 -2.209 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.590 -2.855 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.267 -3.159 -2.125 1.00 0.00 H new ATOM 199 N GLN A 13 3.359 0.288 -5.132 1.00 0.00 N ATOM 200 CA GLN A 13 4.611 1.072 -4.925 1.00 0.00 C ATOM 201 C GLN A 13 4.556 2.375 -5.729 1.00 0.00 C ATOM 202 O GLN A 13 5.447 3.197 -5.652 1.00 0.00 O ATOM 203 CB GLN A 13 5.817 0.239 -5.364 1.00 0.00 C ATOM 204 CG GLN A 13 6.080 0.454 -6.856 1.00 0.00 C ATOM 205 CD GLN A 13 7.164 -0.516 -7.328 1.00 0.00 C ATOM 206 OE1 GLN A 13 6.943 -1.306 -8.223 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.337 -0.489 -6.755 1.00 0.00 N ATOM 0 H GLN A 13 3.443 -0.508 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 13 4.708 1.316 -3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.696 0.523 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.633 -0.817 -5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.163 0.296 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.394 1.482 -7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.522 0.175 -6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.068 -1.132 -7.059 1.00 0.00 H new ATOM 216 N GLU A 14 3.519 2.576 -6.494 1.00 0.00 N ATOM 217 CA GLU A 14 3.415 3.834 -7.289 1.00 0.00 C ATOM 218 C GLU A 14 2.611 4.863 -6.496 1.00 0.00 C ATOM 219 O GLU A 14 3.029 5.991 -6.320 1.00 0.00 O ATOM 220 CB GLU A 14 2.705 3.553 -8.610 1.00 0.00 C ATOM 221 CG GLU A 14 3.738 3.193 -9.680 1.00 0.00 C ATOM 222 CD GLU A 14 3.126 2.201 -10.671 1.00 0.00 C ATOM 223 OE1 GLU A 14 3.024 1.036 -10.325 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.769 2.625 -11.758 1.00 0.00 O ATOM 0 H GLU A 14 2.740 1.926 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 14 4.415 4.218 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.994 2.736 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.134 4.428 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.063 4.092 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.623 2.758 -9.214 1.00 0.00 H new ATOM 231 N VAL A 15 1.460 4.484 -6.012 1.00 0.00 N ATOM 232 CA VAL A 15 0.640 5.440 -5.227 1.00 0.00 C ATOM 233 C VAL A 15 1.553 6.173 -4.242 1.00 0.00 C ATOM 234 O VAL A 15 1.321 7.312 -3.895 1.00 0.00 O ATOM 235 CB VAL A 15 -0.457 4.667 -4.479 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.519 3.235 -5.007 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.165 4.642 -2.974 1.00 0.00 C ATOM 0 H VAL A 15 1.055 3.555 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 15 0.165 6.169 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.412 5.165 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.297 2.685 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.747 3.250 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.443 2.747 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.952 4.090 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.794 4.155 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.129 5.663 -2.593 1.00 0.00 H new ATOM 247 N LEU A 16 2.596 5.523 -3.795 1.00 0.00 N ATOM 248 CA LEU A 16 3.528 6.180 -2.840 1.00 0.00 C ATOM 249 C LEU A 16 4.474 7.102 -3.616 1.00 0.00 C ATOM 250 O LEU A 16 5.025 8.041 -3.075 1.00 0.00 O ATOM 251 CB LEU A 16 4.325 5.106 -2.078 1.00 0.00 C ATOM 252 CG LEU A 16 5.731 4.956 -2.671 1.00 0.00 C ATOM 253 CD1 LEU A 16 6.622 6.094 -2.162 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.324 3.612 -2.235 1.00 0.00 C ATOM 0 H LEU A 16 2.840 4.566 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 16 2.966 6.774 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.396 5.377 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.800 4.152 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 16 5.675 4.996 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.622 5.989 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.199 7.051 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.680 6.052 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.324 3.502 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.381 3.575 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.689 2.801 -2.592 1.00 0.00 H new ATOM 266 N LYS A 17 4.662 6.845 -4.885 1.00 0.00 N ATOM 267 CA LYS A 17 5.568 7.711 -5.692 1.00 0.00 C ATOM 268 C LYS A 17 4.844 9.012 -6.051 1.00 0.00 C ATOM 269 O LYS A 17 5.371 10.094 -5.881 1.00 0.00 O ATOM 270 CB LYS A 17 5.968 6.980 -6.976 1.00 0.00 C ATOM 271 CG LYS A 17 6.915 5.827 -6.636 1.00 0.00 C ATOM 272 CD LYS A 17 8.333 6.182 -7.087 1.00 0.00 C ATOM 273 CE LYS A 17 9.337 5.250 -6.407 1.00 0.00 C ATOM 274 NZ LYS A 17 8.809 3.856 -6.421 1.00 0.00 N ATOM 0 H LYS A 17 4.228 6.075 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 17 6.462 7.939 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.081 6.598 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.453 7.672 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.901 5.635 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.583 4.913 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.414 6.092 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.556 7.219 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.296 5.292 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.513 5.573 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.595 3.186 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.127 3.735 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.336 3.673 -7.329 1.00 0.00 H new ATOM 288 N HIS A 18 3.639 8.917 -6.545 1.00 0.00 N ATOM 289 CA HIS A 18 2.886 10.150 -6.912 1.00 0.00 C ATOM 290 C HIS A 18 2.342 10.810 -5.644 1.00 0.00 C ATOM 291 O HIS A 18 1.684 11.831 -5.695 1.00 0.00 O ATOM 292 CB HIS A 18 1.725 9.783 -7.833 1.00 0.00 C ATOM 293 CG HIS A 18 2.218 9.675 -9.251 1.00 0.00 C ATOM 294 ND1 HIS A 18 3.107 10.590 -9.798 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.951 8.768 -10.249 1.00 0.00 C ATOM 296 CE1 HIS A 18 3.341 10.218 -11.070 1.00 0.00 C ATOM 297 NE2 HIS A 18 2.662 9.116 -11.392 1.00 0.00 N ATOM 0 H HIS A 18 3.144 8.040 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 18 3.552 10.843 -7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.283 8.838 -7.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.942 10.539 -7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.292 7.917 -10.159 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.997 10.746 -11.746 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.664 8.630 -12.289 1.00 0.00 H new ATOM 306 N VAL A 19 2.610 10.233 -4.504 1.00 0.00 N ATOM 307 CA VAL A 19 2.110 10.821 -3.229 1.00 0.00 C ATOM 308 C VAL A 19 3.293 11.340 -2.409 1.00 0.00 C ATOM 309 O VAL A 19 3.168 12.272 -1.640 1.00 0.00 O ATOM 310 CB VAL A 19 1.371 9.740 -2.436 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.177 10.194 -0.991 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.004 9.485 -3.072 1.00 0.00 C ATOM 0 H VAL A 19 3.155 9.377 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 19 1.431 11.646 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 19 1.961 8.823 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.650 9.419 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.149 10.374 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.592 11.114 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.522 8.715 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.580 10.406 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.138 9.152 -4.101 1.00 0.00 H new ATOM 322 N ASN A 20 4.443 10.743 -2.567 1.00 0.00 N ATOM 323 CA ASN A 20 5.635 11.197 -1.797 1.00 0.00 C ATOM 324 C ASN A 20 5.832 12.703 -1.987 1.00 0.00 C ATOM 325 O ASN A 20 6.282 13.396 -1.097 1.00 0.00 O ATOM 326 CB ASN A 20 6.880 10.458 -2.300 1.00 0.00 C ATOM 327 CG ASN A 20 7.159 9.249 -1.405 1.00 0.00 C ATOM 328 OD1 ASN A 20 6.475 9.030 -0.426 1.00 0.00 O ATOM 329 ND2 ASN A 20 8.145 8.447 -1.704 1.00 0.00 N ATOM 0 H ASN A 20 4.608 9.959 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 20 5.481 10.982 -0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.731 10.133 -3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.739 11.129 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.340 7.637 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.720 8.630 -2.526 1.00 0.00 H new ATOM 336 N GLN A 21 5.509 13.213 -3.145 1.00 0.00 N ATOM 337 CA GLN A 21 5.691 14.674 -3.392 1.00 0.00 C ATOM 338 C GLN A 21 4.394 15.432 -3.088 1.00 0.00 C ATOM 339 O GLN A 21 4.418 16.568 -2.658 1.00 0.00 O ATOM 340 CB GLN A 21 6.074 14.891 -4.857 1.00 0.00 C ATOM 341 CG GLN A 21 7.161 15.964 -4.950 1.00 0.00 C ATOM 342 CD GLN A 21 7.354 16.362 -6.414 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.642 15.529 -7.249 1.00 0.00 O ATOM 344 NE2 GLN A 21 7.203 17.610 -6.764 1.00 0.00 N ATOM 0 H GLN A 21 5.128 12.684 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 21 6.479 15.050 -2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.432 13.958 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.199 15.195 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.880 16.835 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.097 15.587 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.961 18.311 -6.063 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.327 17.885 -7.738 1.00 0.00 H new ATOM 353 N HIS A 22 3.263 14.822 -3.315 1.00 0.00 N ATOM 354 CA HIS A 22 1.971 15.520 -3.046 1.00 0.00 C ATOM 355 C HIS A 22 1.503 15.226 -1.619 1.00 0.00 C ATOM 356 O HIS A 22 0.332 15.021 -1.369 1.00 0.00 O ATOM 357 CB HIS A 22 0.917 15.029 -4.039 1.00 0.00 C ATOM 358 CG HIS A 22 1.145 15.680 -5.376 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.722 16.974 -5.652 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.747 15.229 -6.527 1.00 0.00 C ATOM 361 CE1 HIS A 22 1.070 17.252 -6.922 1.00 0.00 C ATOM 362 NE2 HIS A 22 1.696 16.223 -7.496 1.00 0.00 N ATOM 0 H HIS A 22 3.176 13.871 -3.675 1.00 0.00 H new ATOM 0 HA HIS A 22 2.113 16.595 -3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.971 13.945 -4.137 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.082 15.266 -3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.191 14.253 -6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.868 18.191 -7.415 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.061 16.176 -8.447 1.00 0.00 H new ATOM 371 N TRP A 23 2.406 15.207 -0.677 1.00 0.00 N ATOM 372 CA TRP A 23 2.008 14.929 0.732 1.00 0.00 C ATOM 373 C TRP A 23 1.695 16.241 1.450 1.00 0.00 C ATOM 374 O TRP A 23 2.327 17.253 1.220 1.00 0.00 O ATOM 375 CB TRP A 23 3.156 14.229 1.449 1.00 0.00 C ATOM 376 CG TRP A 23 2.641 13.562 2.679 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.401 14.177 3.858 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.301 12.164 2.870 1.00 0.00 C ATOM 379 NE1 TRP A 23 1.934 13.238 4.760 1.00 0.00 N ATOM 380 CE2 TRP A 23 1.858 11.982 4.198 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.338 11.050 2.023 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.465 10.729 4.671 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.943 9.786 2.491 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.507 9.627 3.815 1.00 0.00 C ATOM 0 H TRP A 23 3.402 15.372 -0.822 1.00 0.00 H new ATOM 0 HA TRP A 23 1.123 14.293 0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.616 13.494 0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.930 14.951 1.711 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.549 15.227 4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.677 13.450 5.724 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.673 11.163 1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.131 10.613 5.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.975 8.933 1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.204 8.653 4.171 1.00 0.00 H new ATOM 395 N GLN A 24 0.730 16.228 2.325 1.00 0.00 N ATOM 396 CA GLN A 24 0.381 17.476 3.065 1.00 0.00 C ATOM 397 C GLN A 24 -0.212 17.116 4.431 1.00 0.00 C ATOM 398 O GLN A 24 -0.850 16.095 4.592 1.00 0.00 O ATOM 399 CB GLN A 24 -0.642 18.284 2.260 1.00 0.00 C ATOM 400 CG GLN A 24 -0.141 19.722 2.090 1.00 0.00 C ATOM 401 CD GLN A 24 0.107 20.344 3.465 1.00 0.00 C ATOM 402 OE1 GLN A 24 1.233 20.424 3.915 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.905 20.792 4.158 1.00 0.00 N ATOM 0 H GLN A 24 0.168 15.410 2.561 1.00 0.00 H new ATOM 0 HA GLN A 24 1.282 18.073 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.797 17.824 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.605 18.282 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.778 19.731 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.875 20.311 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.851 20.725 3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.750 21.209 5.076 1.00 0.00 H new ATOM 412 N GLY A 25 -0.008 17.950 5.415 1.00 0.00 N ATOM 413 CA GLY A 25 -0.564 17.656 6.767 1.00 0.00 C ATOM 414 C GLY A 25 0.529 17.062 7.658 1.00 0.00 C ATOM 415 O GLY A 25 0.254 16.505 8.702 1.00 0.00 O ATOM 0 H GLY A 25 0.519 18.820 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.956 18.569 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.397 16.958 6.684 1.00 0.00 H new ATOM 419 N GLY A 26 1.765 17.176 7.258 1.00 0.00 N ATOM 420 CA GLY A 26 2.868 16.617 8.091 1.00 0.00 C ATOM 421 C GLY A 26 3.929 15.988 7.187 1.00 0.00 C ATOM 422 O GLY A 26 3.883 14.812 6.884 1.00 0.00 O ATOM 0 H GLY A 26 2.059 17.630 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.314 17.405 8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.474 15.870 8.780 1.00 0.00 H new ATOM 426 N GLN A 27 4.887 16.761 6.755 1.00 0.00 N ATOM 427 CA GLN A 27 5.953 16.209 5.873 1.00 0.00 C ATOM 428 C GLN A 27 6.786 15.192 6.657 1.00 0.00 C ATOM 429 O GLN A 27 7.785 14.693 6.180 1.00 0.00 O ATOM 430 CB GLN A 27 6.856 17.347 5.394 1.00 0.00 C ATOM 431 CG GLN A 27 7.985 16.776 4.533 1.00 0.00 C ATOM 432 CD GLN A 27 9.230 16.566 5.396 1.00 0.00 C ATOM 433 OE1 GLN A 27 9.464 17.300 6.335 1.00 0.00 O ATOM 434 NE2 GLN A 27 10.044 15.585 5.117 1.00 0.00 N ATOM 0 H GLN A 27 4.977 17.753 6.975 1.00 0.00 H new ATOM 0 HA GLN A 27 5.497 15.719 5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.275 18.069 4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.271 17.881 6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.675 15.831 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.210 17.456 3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.848 14.968 4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.876 15.435 5.687 1.00 0.00 H new ATOM 443 N LYS A 28 6.380 14.883 7.860 1.00 0.00 N ATOM 444 CA LYS A 28 7.146 13.900 8.677 1.00 0.00 C ATOM 445 C LYS A 28 6.619 12.490 8.402 1.00 0.00 C ATOM 446 O LYS A 28 7.323 11.513 8.563 1.00 0.00 O ATOM 447 CB LYS A 28 6.975 14.230 10.162 1.00 0.00 C ATOM 448 CG LYS A 28 5.485 14.240 10.515 1.00 0.00 C ATOM 449 CD LYS A 28 5.155 15.506 11.307 1.00 0.00 C ATOM 450 CE LYS A 28 5.812 15.428 12.687 1.00 0.00 C ATOM 451 NZ LYS A 28 6.264 16.787 13.102 1.00 0.00 N ATOM 0 H LYS A 28 5.551 15.269 8.311 1.00 0.00 H new ATOM 0 HA LYS A 28 8.202 13.950 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.499 13.494 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.418 15.201 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.885 14.201 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.234 13.356 11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.511 16.386 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.075 15.612 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.106 15.030 13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.660 14.744 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.710 16.733 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.952 17.150 12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.445 17.427 13.144 1.00 0.00 H new ATOM 465 N ASN A 29 5.386 12.377 7.989 1.00 0.00 N ATOM 466 CA ASN A 29 4.815 11.030 7.704 1.00 0.00 C ATOM 467 C ASN A 29 5.340 10.530 6.356 1.00 0.00 C ATOM 468 O ASN A 29 5.742 9.392 6.220 1.00 0.00 O ATOM 469 CB ASN A 29 3.288 11.123 7.653 1.00 0.00 C ATOM 470 CG ASN A 29 2.803 12.162 8.664 1.00 0.00 C ATOM 471 OD1 ASN A 29 1.737 12.867 8.399 1.00 0.00 O flip ATOM 472 ND2 ASN A 29 3.400 12.336 9.709 1.00 0.00 N flip ATOM 0 H ASN A 29 4.749 13.159 7.837 1.00 0.00 H new ATOM 0 HA ASN A 29 5.111 10.336 8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.964 11.398 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.847 10.151 7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.233 11.786 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.067 13.032 10.377 1.00 0.00 H new ATOM 479 N MET A 30 5.338 11.375 5.360 1.00 0.00 N ATOM 480 CA MET A 30 5.836 10.955 4.018 1.00 0.00 C ATOM 481 C MET A 30 6.981 9.956 4.186 1.00 0.00 C ATOM 482 O MET A 30 7.200 9.101 3.350 1.00 0.00 O ATOM 483 CB MET A 30 6.341 12.183 3.256 1.00 0.00 C ATOM 484 CG MET A 30 6.999 11.738 1.948 1.00 0.00 C ATOM 485 SD MET A 30 8.797 11.901 2.089 1.00 0.00 S ATOM 486 CE MET A 30 9.231 10.733 0.777 1.00 0.00 C ATOM 0 H MET A 30 5.012 12.340 5.418 1.00 0.00 H new ATOM 0 HA MET A 30 5.025 10.487 3.461 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.513 12.860 3.047 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.057 12.734 3.866 1.00 0.00 H new ATOM 0 HG2 MET A 30 6.733 10.704 1.728 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.632 12.344 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.308 10.566 0.780 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.716 9.787 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.930 11.141 -0.188 1.00 0.00 H new ATOM 496 N ASN A 31 7.717 10.055 5.258 1.00 0.00 N ATOM 497 CA ASN A 31 8.847 9.112 5.475 1.00 0.00 C ATOM 498 C ASN A 31 8.360 7.904 6.274 1.00 0.00 C ATOM 499 O ASN A 31 8.439 6.777 5.827 1.00 0.00 O ATOM 500 CB ASN A 31 9.961 9.819 6.248 1.00 0.00 C ATOM 501 CG ASN A 31 10.398 11.066 5.479 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.635 11.526 4.527 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 11.442 11.627 5.747 1.00 0.00 N flip ATOM 0 H ASN A 31 7.584 10.749 5.993 1.00 0.00 H new ATOM 0 HA ASN A 31 9.229 8.778 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.610 10.095 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.808 9.147 6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.038 11.266 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.722 12.459 5.227 1.00 0.00 H new ATOM 510 N LYS A 32 7.855 8.128 7.456 1.00 0.00 N ATOM 511 CA LYS A 32 7.365 6.990 8.280 1.00 0.00 C ATOM 512 C LYS A 32 6.454 6.103 7.430 1.00 0.00 C ATOM 513 O LYS A 32 6.451 4.895 7.561 1.00 0.00 O ATOM 514 CB LYS A 32 6.587 7.526 9.484 1.00 0.00 C ATOM 515 CG LYS A 32 7.526 8.348 10.372 1.00 0.00 C ATOM 516 CD LYS A 32 6.934 8.462 11.779 1.00 0.00 C ATOM 517 CE LYS A 32 7.388 9.776 12.418 1.00 0.00 C ATOM 518 NZ LYS A 32 7.482 9.606 13.896 1.00 0.00 N ATOM 0 H LYS A 32 7.761 9.049 7.885 1.00 0.00 H new ATOM 0 HA LYS A 32 8.213 6.404 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.754 8.143 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.161 6.699 10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.507 7.875 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.670 9.341 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.846 8.425 11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.255 7.618 12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.355 10.074 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.683 10.572 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.791 10.500 14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.550 9.341 14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.171 8.858 14.116 1.00 0.00 H new ATOM 532 N VAL A 33 5.684 6.690 6.555 1.00 0.00 N ATOM 533 CA VAL A 33 4.782 5.874 5.698 1.00 0.00 C ATOM 534 C VAL A 33 5.618 5.122 4.660 1.00 0.00 C ATOM 535 O VAL A 33 5.582 3.911 4.584 1.00 0.00 O ATOM 536 CB VAL A 33 3.775 6.786 4.995 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.037 7.624 6.039 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.511 7.716 4.027 1.00 0.00 C ATOM 0 H VAL A 33 5.641 7.697 6.398 1.00 0.00 H new ATOM 0 HA VAL A 33 4.240 5.157 6.315 1.00 0.00 H new ATOM 0 HB VAL A 33 3.061 6.177 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.318 8.275 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.511 6.964 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.754 8.231 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.791 8.365 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.226 8.325 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.041 7.121 3.283 1.00 0.00 H new ATOM 548 N ASP A 34 6.380 5.827 3.867 1.00 0.00 N ATOM 549 CA ASP A 34 7.220 5.141 2.849 1.00 0.00 C ATOM 550 C ASP A 34 7.826 3.886 3.477 1.00 0.00 C ATOM 551 O ASP A 34 7.951 2.857 2.842 1.00 0.00 O ATOM 552 CB ASP A 34 8.340 6.081 2.391 1.00 0.00 C ATOM 553 CG ASP A 34 9.122 5.427 1.250 1.00 0.00 C ATOM 554 OD1 ASP A 34 8.551 4.591 0.569 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.279 5.775 1.074 1.00 0.00 O ATOM 0 H ASP A 34 6.456 6.844 3.881 1.00 0.00 H new ATOM 0 HA ASP A 34 6.611 4.867 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.919 7.031 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.008 6.301 3.224 1.00 0.00 H new ATOM 560 N HIS A 35 8.192 3.963 4.728 1.00 0.00 N ATOM 561 CA HIS A 35 8.779 2.778 5.410 1.00 0.00 C ATOM 562 C HIS A 35 7.683 1.737 5.643 1.00 0.00 C ATOM 563 O HIS A 35 7.922 0.548 5.590 1.00 0.00 O ATOM 564 CB HIS A 35 9.372 3.204 6.756 1.00 0.00 C ATOM 565 CG HIS A 35 10.874 3.157 6.683 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.616 4.150 6.061 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.786 2.240 7.147 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.914 3.812 6.166 1.00 0.00 C ATOM 569 NE2 HIS A 35 13.071 2.659 6.817 1.00 0.00 N ATOM 0 H HIS A 35 8.109 4.799 5.307 1.00 0.00 H new ATOM 0 HA HIS A 35 9.565 2.350 4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.041 4.212 7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.015 2.544 7.547 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.543 1.335 7.684 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.728 4.402 5.772 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.949 2.184 7.029 1.00 0.00 H new ATOM 578 N HIS A 36 6.479 2.177 5.897 1.00 0.00 N ATOM 579 CA HIS A 36 5.371 1.212 6.127 1.00 0.00 C ATOM 580 C HIS A 36 5.165 0.375 4.865 1.00 0.00 C ATOM 581 O HIS A 36 5.087 -0.837 4.919 1.00 0.00 O ATOM 582 CB HIS A 36 4.088 1.979 6.453 1.00 0.00 C ATOM 583 CG HIS A 36 4.015 2.227 7.935 1.00 0.00 C ATOM 584 ND1 HIS A 36 5.113 2.654 8.670 1.00 0.00 N ATOM 585 CD2 HIS A 36 2.983 2.118 8.832 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.718 2.785 9.950 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.431 2.471 10.100 1.00 0.00 N ATOM 0 H HIS A 36 6.218 3.161 5.955 1.00 0.00 H new ATOM 0 HA HIS A 36 5.619 0.557 6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.071 2.926 5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.218 1.410 6.125 1.00 0.00 H new ATOM 0 HD1 HIS A 36 6.048 2.835 8.306 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.978 1.806 8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.363 3.105 10.755 1.00 0.00 H new ATOM 596 N LEU A 37 5.083 1.010 3.726 1.00 0.00 N ATOM 597 CA LEU A 37 4.889 0.245 2.463 1.00 0.00 C ATOM 598 C LEU A 37 6.147 -0.575 2.171 1.00 0.00 C ATOM 599 O LEU A 37 6.096 -1.783 2.056 1.00 0.00 O ATOM 600 CB LEU A 37 4.626 1.209 1.307 1.00 0.00 C ATOM 601 CG LEU A 37 3.393 2.058 1.621 1.00 0.00 C ATOM 602 CD1 LEU A 37 3.766 3.193 2.578 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.844 2.644 0.321 1.00 0.00 C ATOM 0 H LEU A 37 5.142 2.022 3.617 1.00 0.00 H new ATOM 0 HA LEU A 37 4.034 -0.422 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.493 1.851 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.471 0.652 0.383 1.00 0.00 H new ATOM 0 HG LEU A 37 2.636 1.433 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.881 3.791 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.157 2.774 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.526 3.823 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.965 3.250 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.607 3.265 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.569 1.835 -0.355 1.00 0.00 H new ATOM 615 N GLN A 38 7.279 0.067 2.055 1.00 0.00 N ATOM 616 CA GLN A 38 8.530 -0.693 1.778 1.00 0.00 C ATOM 617 C GLN A 38 8.500 -1.990 2.584 1.00 0.00 C ATOM 618 O GLN A 38 8.960 -3.024 2.140 1.00 0.00 O ATOM 619 CB GLN A 38 9.745 0.142 2.193 1.00 0.00 C ATOM 620 CG GLN A 38 10.335 0.829 0.960 1.00 0.00 C ATOM 621 CD GLN A 38 11.418 1.818 1.396 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.185 3.100 1.307 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 12.485 1.421 1.820 1.00 0.00 N flip ATOM 0 H GLN A 38 7.390 1.077 2.140 1.00 0.00 H new ATOM 0 HA GLN A 38 8.601 -0.916 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.452 0.887 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.495 -0.495 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.757 0.086 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.551 1.351 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.666 0.419 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.200 2.089 2.107 1.00 0.00 H new ATOM 632 N ASN A 39 7.947 -1.943 3.764 1.00 0.00 N ATOM 633 CA ASN A 39 7.868 -3.170 4.602 1.00 0.00 C ATOM 634 C ASN A 39 6.729 -4.047 4.084 1.00 0.00 C ATOM 635 O ASN A 39 6.780 -5.258 4.152 1.00 0.00 O ATOM 636 CB ASN A 39 7.591 -2.777 6.056 1.00 0.00 C ATOM 637 CG ASN A 39 8.494 -3.587 6.987 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.568 -3.146 7.347 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.103 -4.763 7.395 1.00 0.00 N ATOM 0 H ASN A 39 7.546 -1.105 4.184 1.00 0.00 H new ATOM 0 HA ASN A 39 8.809 -3.717 4.551 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.770 -1.711 6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.544 -2.959 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.698 -5.311 8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.202 -5.134 7.093 1.00 0.00 H new ATOM 646 N VAL A 40 5.700 -3.439 3.558 1.00 0.00 N ATOM 647 CA VAL A 40 4.557 -4.228 3.025 1.00 0.00 C ATOM 648 C VAL A 40 4.849 -4.621 1.576 1.00 0.00 C ATOM 649 O VAL A 40 4.907 -5.786 1.241 1.00 0.00 O ATOM 650 CB VAL A 40 3.284 -3.385 3.083 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.086 -4.239 2.660 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.070 -2.880 4.514 1.00 0.00 C ATOM 0 H VAL A 40 5.603 -2.427 3.475 1.00 0.00 H new ATOM 0 HA VAL A 40 4.420 -5.127 3.626 1.00 0.00 H new ATOM 0 HB VAL A 40 3.381 -2.535 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.178 -3.638 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.237 -4.599 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.989 -5.089 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.162 -2.279 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.973 -3.730 5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.922 -2.272 4.816 1.00 0.00 H new ATOM 662 N ILE A 41 5.039 -3.658 0.713 1.00 0.00 N ATOM 663 CA ILE A 41 5.334 -3.992 -0.709 1.00 0.00 C ATOM 664 C ILE A 41 6.260 -5.206 -0.754 1.00 0.00 C ATOM 665 O ILE A 41 6.107 -6.088 -1.577 1.00 0.00 O ATOM 666 CB ILE A 41 6.023 -2.809 -1.389 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.244 -1.526 -1.090 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.063 -3.046 -2.900 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.427 -0.530 -2.237 1.00 0.00 C ATOM 0 H ILE A 41 5.003 -2.662 0.930 1.00 0.00 H new ATOM 0 HA ILE A 41 4.402 -4.213 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 41 7.040 -2.710 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.186 -1.754 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.593 -1.087 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.554 -2.204 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.618 -3.961 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.046 -3.143 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.871 0.382 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.485 -0.292 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.056 -0.969 -3.163 1.00 0.00 H new ATOM 681 N GLU A 42 7.217 -5.263 0.132 1.00 0.00 N ATOM 682 CA GLU A 42 8.148 -6.423 0.145 1.00 0.00 C ATOM 683 C GLU A 42 7.356 -7.692 0.449 1.00 0.00 C ATOM 684 O GLU A 42 7.653 -8.758 -0.051 1.00 0.00 O ATOM 685 CB GLU A 42 9.211 -6.213 1.225 1.00 0.00 C ATOM 686 CG GLU A 42 10.546 -6.789 0.749 1.00 0.00 C ATOM 687 CD GLU A 42 11.296 -7.388 1.938 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.933 -7.075 3.060 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.221 -8.149 1.708 1.00 0.00 O ATOM 0 H GLU A 42 7.393 -4.556 0.846 1.00 0.00 H new ATOM 0 HA GLU A 42 8.635 -6.516 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.319 -5.150 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.904 -6.698 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.375 -7.553 -0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.146 -6.007 0.283 1.00 0.00 H new ATOM 696 N ASP A 43 6.339 -7.583 1.261 1.00 0.00 N ATOM 697 CA ASP A 43 5.521 -8.781 1.588 1.00 0.00 C ATOM 698 C ASP A 43 4.834 -9.273 0.316 1.00 0.00 C ATOM 699 O ASP A 43 4.495 -10.432 0.187 1.00 0.00 O ATOM 700 CB ASP A 43 4.466 -8.409 2.631 1.00 0.00 C ATOM 701 CG ASP A 43 3.777 -9.678 3.136 1.00 0.00 C ATOM 702 OD1 ASP A 43 2.968 -10.221 2.402 1.00 0.00 O ATOM 703 OD2 ASP A 43 4.070 -10.085 4.248 1.00 0.00 O ATOM 0 H ASP A 43 6.041 -6.717 1.710 1.00 0.00 H new ATOM 0 HA ASP A 43 6.159 -9.568 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.932 -7.880 3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.731 -7.732 2.195 1.00 0.00 H new ATOM 708 N ILE A 44 4.634 -8.396 -0.629 1.00 0.00 N ATOM 709 CA ILE A 44 3.979 -8.803 -1.901 1.00 0.00 C ATOM 710 C ILE A 44 5.007 -9.491 -2.794 1.00 0.00 C ATOM 711 O ILE A 44 4.766 -10.551 -3.334 1.00 0.00 O ATOM 712 CB ILE A 44 3.449 -7.568 -2.620 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.094 -7.173 -2.037 1.00 0.00 C ATOM 714 CG2 ILE A 44 3.284 -7.881 -4.106 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.898 -5.662 -2.182 1.00 0.00 C ATOM 0 H ILE A 44 4.897 -7.412 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 44 3.155 -9.483 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 44 4.153 -6.746 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.295 -7.705 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.041 -7.458 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.905 -7.000 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.249 -8.163 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.580 -8.704 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.931 -5.379 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.690 -5.139 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.933 -5.390 -3.237 1.00 0.00 H new ATOM 727 N HIS A 45 6.156 -8.892 -2.952 1.00 0.00 N ATOM 728 CA HIS A 45 7.199 -9.512 -3.810 1.00 0.00 C ATOM 729 C HIS A 45 7.397 -10.959 -3.364 1.00 0.00 C ATOM 730 O HIS A 45 7.717 -11.828 -4.151 1.00 0.00 O ATOM 731 CB HIS A 45 8.515 -8.745 -3.652 1.00 0.00 C ATOM 732 CG HIS A 45 9.042 -8.348 -5.005 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.595 -8.938 -6.180 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.980 -7.420 -5.386 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.259 -8.364 -7.201 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.112 -7.434 -6.770 1.00 0.00 N ATOM 0 H HIS A 45 6.415 -8.003 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 45 6.890 -9.480 -4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.358 -7.858 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.247 -9.365 -3.134 1.00 0.00 H new ATOM 0 HD1 HIS A 45 7.892 -9.673 -6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 45 10.530 -6.778 -4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.118 -8.624 -8.240 1.00 0.00 H new ATOM 745 N ASP A 46 7.204 -11.221 -2.100 1.00 0.00 N ATOM 746 CA ASP A 46 7.373 -12.606 -1.589 1.00 0.00 C ATOM 747 C ASP A 46 6.071 -13.383 -1.786 1.00 0.00 C ATOM 748 O ASP A 46 6.012 -14.575 -1.561 1.00 0.00 O ATOM 749 CB ASP A 46 7.725 -12.562 -0.100 1.00 0.00 C ATOM 750 CG ASP A 46 7.842 -13.987 0.441 1.00 0.00 C ATOM 751 OD1 ASP A 46 8.886 -14.589 0.249 1.00 0.00 O ATOM 752 OD2 ASP A 46 6.886 -14.455 1.040 1.00 0.00 O ATOM 0 H ASP A 46 6.936 -10.531 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 46 8.176 -13.100 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.664 -12.028 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.959 -12.015 0.449 1.00 0.00 H new ATOM 757 N PHE A 47 5.023 -12.723 -2.206 1.00 0.00 N ATOM 758 CA PHE A 47 3.736 -13.442 -2.414 1.00 0.00 C ATOM 759 C PHE A 47 3.802 -14.205 -3.738 1.00 0.00 C ATOM 760 O PHE A 47 3.025 -15.105 -3.988 1.00 0.00 O ATOM 761 CB PHE A 47 2.584 -12.438 -2.451 1.00 0.00 C ATOM 762 CG PHE A 47 1.271 -13.183 -2.534 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.849 -13.731 -3.753 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.478 -13.330 -1.391 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.364 -14.427 -3.826 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.734 -14.024 -1.463 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.156 -14.572 -2.680 1.00 0.00 C ATOM 0 H PHE A 47 5.004 -11.724 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 47 3.568 -14.142 -1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.604 -11.812 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.693 -11.774 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.460 -13.616 -4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.802 -12.907 -0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.688 -14.851 -4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.345 -14.137 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.093 -15.107 -2.735 1.00 0.00 H new ATOM 777 N MET A 48 4.733 -13.856 -4.583 1.00 0.00 N ATOM 778 CA MET A 48 4.864 -14.563 -5.889 1.00 0.00 C ATOM 779 C MET A 48 5.665 -15.849 -5.681 1.00 0.00 C ATOM 780 O MET A 48 5.206 -16.933 -5.978 1.00 0.00 O ATOM 781 CB MET A 48 5.596 -13.666 -6.890 1.00 0.00 C ATOM 782 CG MET A 48 4.983 -12.264 -6.873 1.00 0.00 C ATOM 783 SD MET A 48 6.305 -11.030 -6.802 1.00 0.00 S ATOM 784 CE MET A 48 6.953 -11.292 -8.472 1.00 0.00 C ATOM 0 H MET A 48 5.410 -13.110 -4.425 1.00 0.00 H new ATOM 0 HA MET A 48 3.873 -14.801 -6.277 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.655 -13.613 -6.638 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.527 -14.091 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.375 -12.110 -7.764 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.322 -12.155 -6.013 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.670 -10.507 -8.711 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.447 -12.262 -8.522 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.132 -11.265 -9.189 1.00 0.00 H new ATOM 794 N GLN A 49 6.861 -15.734 -5.171 1.00 0.00 N ATOM 795 CA GLN A 49 7.694 -16.946 -4.939 1.00 0.00 C ATOM 796 C GLN A 49 7.089 -17.769 -3.801 1.00 0.00 C ATOM 797 O GLN A 49 7.016 -18.980 -3.868 1.00 0.00 O ATOM 798 CB GLN A 49 9.111 -16.520 -4.559 1.00 0.00 C ATOM 799 CG GLN A 49 9.050 -15.520 -3.403 1.00 0.00 C ATOM 800 CD GLN A 49 9.069 -16.278 -2.075 1.00 0.00 C ATOM 801 OE1 GLN A 49 8.087 -16.117 -1.232 1.00 0.00 O flip ATOM 802 NE2 GLN A 49 9.987 -17.026 -1.802 1.00 0.00 N flip ATOM 0 H GLN A 49 7.297 -14.851 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 49 7.724 -17.548 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.699 -17.391 -4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.609 -16.070 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.896 -14.835 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.145 -14.916 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.755 -17.152 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.989 -17.528 -0.914 1.00 0.00 H new ATOM 811 N GLY A 50 6.650 -17.120 -2.757 1.00 0.00 N ATOM 812 CA GLY A 50 6.044 -17.865 -1.618 1.00 0.00 C ATOM 813 C GLY A 50 4.993 -18.834 -2.157 1.00 0.00 C ATOM 814 O GLY A 50 4.422 -19.617 -1.425 1.00 0.00 O ATOM 0 H GLY A 50 6.685 -16.107 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.814 -18.411 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.588 -17.169 -0.914 1.00 0.00 H new ATOM 818 N GLY A 51 4.736 -18.790 -3.437 1.00 0.00 N ATOM 819 CA GLY A 51 3.725 -19.711 -4.028 1.00 0.00 C ATOM 820 C GLY A 51 2.342 -19.404 -3.453 1.00 0.00 C ATOM 821 O GLY A 51 1.337 -19.879 -3.944 1.00 0.00 O ATOM 0 H GLY A 51 5.183 -18.155 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.710 -19.601 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.995 -20.746 -3.816 1.00 0.00 H new ATOM 825 N GLY A 52 2.275 -18.615 -2.415 1.00 0.00 N ATOM 826 CA GLY A 52 0.951 -18.287 -1.817 1.00 0.00 C ATOM 827 C GLY A 52 1.099 -18.180 -0.302 1.00 0.00 C ATOM 828 O GLY A 52 0.445 -18.876 0.448 1.00 0.00 O ATOM 0 H GLY A 52 3.078 -18.185 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.576 -17.348 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.223 -19.058 -2.070 1.00 0.00 H new ATOM 832 N SER A 53 1.958 -17.312 0.153 1.00 0.00 N ATOM 833 CA SER A 53 2.155 -17.160 1.617 1.00 0.00 C ATOM 834 C SER A 53 0.955 -16.429 2.220 1.00 0.00 C ATOM 835 O SER A 53 1.106 -15.502 2.990 1.00 0.00 O ATOM 836 CB SER A 53 3.428 -16.354 1.869 1.00 0.00 C ATOM 837 OG SER A 53 4.242 -16.386 0.705 1.00 0.00 O ATOM 0 H SER A 53 2.532 -16.701 -0.428 1.00 0.00 H new ATOM 0 HA SER A 53 2.246 -18.142 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.176 -15.324 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.972 -16.767 2.718 1.00 0.00 H new ATOM 0 HG SER A 53 5.019 -15.802 0.833 1.00 0.00 H new ATOM 843 N GLY A 54 -0.238 -16.840 1.881 1.00 0.00 N ATOM 844 CA GLY A 54 -1.439 -16.165 2.446 1.00 0.00 C ATOM 845 C GLY A 54 -1.225 -15.945 3.943 1.00 0.00 C ATOM 846 O GLY A 54 -1.940 -15.199 4.582 1.00 0.00 O ATOM 0 H GLY A 54 -0.431 -17.610 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.606 -15.211 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.328 -16.774 2.278 1.00 0.00 H new ATOM 850 N GLY A 55 -0.238 -16.589 4.504 1.00 0.00 N ATOM 851 CA GLY A 55 0.036 -16.420 5.957 1.00 0.00 C ATOM 852 C GLY A 55 0.989 -15.242 6.157 1.00 0.00 C ATOM 853 O GLY A 55 0.965 -14.576 7.173 1.00 0.00 O ATOM 0 H GLY A 55 0.391 -17.226 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.895 -16.245 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.475 -17.331 6.365 1.00 0.00 H new ATOM 857 N LYS A 56 1.829 -14.976 5.192 1.00 0.00 N ATOM 858 CA LYS A 56 2.777 -13.837 5.328 1.00 0.00 C ATOM 859 C LYS A 56 2.052 -12.534 5.001 1.00 0.00 C ATOM 860 O LYS A 56 2.472 -11.463 5.391 1.00 0.00 O ATOM 861 CB LYS A 56 3.948 -14.023 4.361 1.00 0.00 C ATOM 862 CG LYS A 56 5.201 -13.356 4.936 1.00 0.00 C ATOM 863 CD LYS A 56 5.960 -14.351 5.817 1.00 0.00 C ATOM 864 CE LYS A 56 7.212 -14.834 5.081 1.00 0.00 C ATOM 865 NZ LYS A 56 6.815 -15.742 3.967 1.00 0.00 N ATOM 0 H LYS A 56 1.898 -15.498 4.318 1.00 0.00 H new ATOM 0 HA LYS A 56 3.155 -13.801 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.132 -15.085 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.705 -13.588 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.843 -13.009 4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.922 -12.479 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.239 -13.879 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.320 -15.198 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.768 -13.982 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.874 -15.356 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.569 -16.439 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.935 -16.236 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.663 -15.185 3.102 1.00 0.00 H new ATOM 879 N LEU A 57 0.963 -12.615 4.288 1.00 0.00 N ATOM 880 CA LEU A 57 0.213 -11.377 3.940 1.00 0.00 C ATOM 881 C LEU A 57 -0.574 -10.899 5.158 1.00 0.00 C ATOM 882 O LEU A 57 -0.370 -9.810 5.652 1.00 0.00 O ATOM 883 CB LEU A 57 -0.755 -11.665 2.794 1.00 0.00 C ATOM 884 CG LEU A 57 -1.224 -10.344 2.187 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.145 -10.626 1.003 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.987 -9.536 3.240 1.00 0.00 C ATOM 0 H LEU A 57 0.561 -13.482 3.932 1.00 0.00 H new ATOM 0 HA LEU A 57 0.918 -10.605 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.266 -12.275 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.610 -12.235 3.159 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.358 -9.775 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.480 -9.683 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.604 -11.200 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.010 -11.197 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.321 -8.594 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.852 -10.106 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.332 -9.332 4.087 1.00 0.00 H new ATOM 898 N GLN A 58 -1.470 -11.704 5.653 1.00 0.00 N ATOM 899 CA GLN A 58 -2.258 -11.278 6.841 1.00 0.00 C ATOM 900 C GLN A 58 -1.300 -10.694 7.882 1.00 0.00 C ATOM 901 O GLN A 58 -1.713 -10.122 8.872 1.00 0.00 O ATOM 902 CB GLN A 58 -3.006 -12.480 7.420 1.00 0.00 C ATOM 903 CG GLN A 58 -3.860 -13.121 6.321 1.00 0.00 C ATOM 904 CD GLN A 58 -4.602 -12.029 5.542 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.198 -11.710 4.340 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -5.561 -11.463 6.029 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.690 -12.632 5.290 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.989 -10.521 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.298 -13.207 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.638 -12.164 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.228 -13.698 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.574 -13.817 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.877 -11.711 6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.049 -10.740 5.500 1.00 0.00 H new ATOM 915 N GLU A 59 -0.020 -10.818 7.651 1.00 0.00 N ATOM 916 CA GLU A 59 0.972 -10.253 8.606 1.00 0.00 C ATOM 917 C GLU A 59 1.091 -8.750 8.351 1.00 0.00 C ATOM 918 O GLU A 59 0.885 -7.941 9.236 1.00 0.00 O ATOM 919 CB GLU A 59 2.331 -10.918 8.381 1.00 0.00 C ATOM 920 CG GLU A 59 3.142 -10.881 9.677 1.00 0.00 C ATOM 921 CD GLU A 59 4.590 -10.499 9.362 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.833 -9.329 9.119 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.430 -11.385 9.365 1.00 0.00 O ATOM 0 H GLU A 59 0.380 -11.288 6.839 1.00 0.00 H new ATOM 0 HA GLU A 59 0.650 -10.434 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.193 -11.949 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.872 -10.403 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.707 -10.161 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.110 -11.854 10.167 1.00 0.00 H new ATOM 930 N MET A 60 1.408 -8.366 7.143 1.00 0.00 N ATOM 931 CA MET A 60 1.521 -6.913 6.831 1.00 0.00 C ATOM 932 C MET A 60 0.115 -6.312 6.781 1.00 0.00 C ATOM 933 O MET A 60 -0.067 -5.118 6.915 1.00 0.00 O ATOM 934 CB MET A 60 2.206 -6.724 5.475 1.00 0.00 C ATOM 935 CG MET A 60 1.386 -7.413 4.384 1.00 0.00 C ATOM 936 SD MET A 60 0.059 -6.309 3.838 1.00 0.00 S ATOM 937 CE MET A 60 -0.007 -6.850 2.112 1.00 0.00 C ATOM 0 H MET A 60 1.593 -8.995 6.361 1.00 0.00 H new ATOM 0 HA MET A 60 2.114 -6.416 7.599 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.306 -5.662 5.252 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.213 -7.140 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.027 -7.673 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.966 -8.344 4.764 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.392 -6.065 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.588 -7.756 1.992 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.041 -7.055 1.834 1.00 0.00 H new ATOM 947 N MET A 61 -0.881 -7.137 6.595 1.00 0.00 N ATOM 948 CA MET A 61 -2.277 -6.622 6.544 1.00 0.00 C ATOM 949 C MET A 61 -2.472 -5.594 7.658 1.00 0.00 C ATOM 950 O MET A 61 -3.216 -4.643 7.518 1.00 0.00 O ATOM 951 CB MET A 61 -3.254 -7.783 6.740 1.00 0.00 C ATOM 952 CG MET A 61 -4.582 -7.250 7.279 1.00 0.00 C ATOM 953 SD MET A 61 -4.548 -7.267 9.089 1.00 0.00 S ATOM 954 CE MET A 61 -6.313 -6.965 9.348 1.00 0.00 C ATOM 0 H MET A 61 -0.786 -8.146 6.476 1.00 0.00 H new ATOM 0 HA MET A 61 -2.463 -6.153 5.578 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.415 -8.300 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.834 -8.512 7.434 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.753 -6.236 6.917 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.407 -7.862 6.914 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.524 -6.935 10.417 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.589 -6.012 8.897 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.891 -7.766 8.886 1.00 0.00 H new ATOM 964 N LYS A 62 -1.804 -5.774 8.764 1.00 0.00 N ATOM 965 CA LYS A 62 -1.947 -4.804 9.884 1.00 0.00 C ATOM 966 C LYS A 62 -1.218 -3.509 9.517 1.00 0.00 C ATOM 967 O LYS A 62 -1.696 -2.422 9.773 1.00 0.00 O ATOM 968 CB LYS A 62 -1.336 -5.395 11.158 1.00 0.00 C ATOM 969 CG LYS A 62 -2.453 -5.915 12.068 1.00 0.00 C ATOM 970 CD LYS A 62 -1.877 -6.256 13.444 1.00 0.00 C ATOM 971 CE LYS A 62 -2.975 -6.857 14.324 1.00 0.00 C ATOM 972 NZ LYS A 62 -3.309 -8.227 13.842 1.00 0.00 N ATOM 0 H LYS A 62 -1.166 -6.550 8.940 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.003 -4.596 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.653 -6.205 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.752 -4.637 11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.236 -5.163 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.914 -6.799 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.053 -6.962 13.340 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.471 -5.359 13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.643 -6.897 15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.863 -6.225 14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.841 -8.734 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.887 -8.160 12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.432 -8.744 13.631 1.00 0.00 H new ATOM 986 N GLU A 63 -0.064 -3.618 8.913 1.00 0.00 N ATOM 987 CA GLU A 63 0.693 -2.395 8.524 1.00 0.00 C ATOM 988 C GLU A 63 0.049 -1.776 7.282 1.00 0.00 C ATOM 989 O GLU A 63 0.149 -0.590 7.044 1.00 0.00 O ATOM 990 CB GLU A 63 2.145 -2.766 8.217 1.00 0.00 C ATOM 991 CG GLU A 63 3.055 -1.584 8.556 1.00 0.00 C ATOM 992 CD GLU A 63 3.425 -1.631 10.040 1.00 0.00 C ATOM 993 OE1 GLU A 63 2.655 -1.122 10.838 1.00 0.00 O ATOM 994 OE2 GLU A 63 4.471 -2.175 10.353 1.00 0.00 O ATOM 0 H GLU A 63 0.386 -4.501 8.673 1.00 0.00 H new ATOM 0 HA GLU A 63 0.671 -1.677 9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.438 -3.642 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.250 -3.029 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.957 -1.619 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.550 -0.646 8.326 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.614 -2.570 6.487 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.267 -2.019 5.268 1.00 0.00 C ATOM 1003 C PHE A 64 -2.411 -1.093 5.691 1.00 0.00 C ATOM 1004 O PHE A 64 -2.437 0.075 5.360 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.832 -3.166 4.427 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.702 -2.843 2.955 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.781 -1.517 2.510 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.495 -3.875 2.035 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.653 -1.227 1.147 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.368 -3.586 0.672 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.446 -2.262 0.227 1.00 0.00 C ATOM 0 H PHE A 64 -0.731 -3.573 6.629 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.536 -1.464 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.300 -4.090 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.879 -3.332 4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.941 -0.718 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.433 -4.898 2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.714 -0.205 0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.210 -4.385 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.347 -2.038 -0.825 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.360 -1.615 6.423 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.510 -0.781 6.876 1.00 0.00 C ATOM 1023 C GLN A 65 -4.002 0.414 7.684 1.00 0.00 C ATOM 1024 O GLN A 65 -4.769 1.243 8.132 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.427 -1.630 7.757 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.840 -1.040 7.754 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.786 -1.976 7.000 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -7.576 -3.264 7.037 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -8.725 -1.533 6.371 1.00 0.00 N flip ATOM 0 H GLN A 65 -3.387 -2.588 6.728 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.057 -0.419 6.006 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.451 -2.656 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.039 -1.664 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.189 -0.901 8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.833 -0.057 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.890 -0.527 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.349 -2.167 5.872 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.716 0.512 7.877 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.169 1.657 8.658 1.00 0.00 C ATOM 1040 C GLN A 66 -1.884 2.823 7.713 1.00 0.00 C ATOM 1041 O GLN A 66 -2.201 3.961 7.998 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.869 1.232 9.342 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.109 1.068 10.841 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.977 -0.167 11.090 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -3.133 -0.198 10.714 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.466 -1.195 11.711 1.00 0.00 N ATOM 0 H GLN A 66 -2.022 -0.149 7.529 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.894 1.964 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.512 0.294 8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.093 1.978 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.157 0.967 11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.599 1.956 11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.496 -1.170 12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.036 -2.024 11.881 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.289 2.543 6.589 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.981 3.628 5.616 1.00 0.00 C ATOM 1057 C VAL A 67 -2.282 4.271 5.144 1.00 0.00 C ATOM 1058 O VAL A 67 -2.535 5.434 5.387 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.251 3.036 4.411 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.795 4.028 3.901 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.442 1.744 4.827 1.00 0.00 C ATOM 0 H VAL A 67 -1.002 1.608 6.301 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.353 4.378 6.096 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.971 2.831 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.313 3.601 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.304 4.955 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.515 4.236 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.964 1.319 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.159 1.955 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.301 1.033 5.189 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.107 3.524 4.468 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.388 4.094 3.975 1.00 0.00 C ATOM 1073 C LEU A 68 -5.002 4.978 5.063 1.00 0.00 C ATOM 1074 O LEU A 68 -5.716 5.920 4.782 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.346 2.955 3.610 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.262 2.629 4.791 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.356 3.691 4.910 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.905 1.263 4.555 1.00 0.00 C ATOM 0 H LEU A 68 -2.949 2.543 4.236 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.207 4.700 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.945 3.238 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.777 2.069 3.328 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.679 2.614 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.005 3.452 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.899 4.668 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.945 3.711 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.561 1.020 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.487 1.289 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.127 0.504 4.472 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.724 4.685 6.304 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.286 5.514 7.407 1.00 0.00 C ATOM 1092 C ASP A 69 -4.336 6.679 7.693 1.00 0.00 C ATOM 1093 O ASP A 69 -4.759 7.776 8.000 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.440 4.657 8.667 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.834 4.027 8.695 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.720 4.561 8.046 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -6.995 3.021 9.366 1.00 0.00 O ATOM 0 H ASP A 69 -4.133 3.909 6.601 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.262 5.900 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.678 3.878 8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.289 5.270 9.556 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.055 6.451 7.589 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.079 7.546 7.849 1.00 0.00 C ATOM 1104 C GLU A 70 -2.262 8.645 6.805 1.00 0.00 C ATOM 1105 O GLU A 70 -2.139 9.818 7.095 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.652 6.994 7.763 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.424 5.983 8.889 1.00 0.00 C ATOM 1108 CD GLU A 70 0.513 6.590 9.936 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.713 6.429 9.793 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.012 7.204 10.864 1.00 0.00 O ATOM 0 H GLU A 70 -2.643 5.553 7.335 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.249 7.955 8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.493 6.518 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.069 7.808 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.375 5.714 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.007 5.066 8.487 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.559 8.277 5.590 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.750 9.305 4.532 1.00 0.00 C ATOM 1119 C ILE A 71 -4.135 9.939 4.686 1.00 0.00 C ATOM 1120 O ILE A 71 -4.294 11.137 4.573 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.634 8.650 3.153 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -2.329 7.157 3.318 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.504 9.314 2.363 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.929 6.566 1.964 1.00 0.00 C ATOM 0 H ILE A 71 -2.677 7.311 5.285 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.985 10.075 4.629 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.574 8.773 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.525 7.017 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.203 6.637 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.423 8.847 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.719 10.376 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.564 9.193 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.712 5.504 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.747 6.694 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.043 7.079 1.591 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.137 9.145 4.944 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.510 9.702 5.105 1.00 0.00 C ATOM 1138 C LYS A 72 -6.446 11.019 5.885 1.00 0.00 C ATOM 1139 O LYS A 72 -6.920 12.042 5.434 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.382 8.703 5.868 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.858 8.998 5.592 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.731 8.204 6.566 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.330 6.997 5.843 1.00 0.00 C ATOM 1144 NZ LYS A 72 -10.691 5.946 6.838 1.00 0.00 N ATOM 0 H LYS A 72 -5.064 8.133 5.050 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.940 9.885 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.140 7.685 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.180 8.771 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.052 10.065 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.107 8.731 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.137 7.873 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.526 8.838 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.214 7.299 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.615 6.600 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.098 5.126 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.839 5.651 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.388 6.328 7.509 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.871 10.999 7.056 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.786 12.249 7.865 1.00 0.00 C ATOM 1160 C GLN A 73 -5.065 13.338 7.066 1.00 0.00 C ATOM 1161 O GLN A 73 -5.412 14.501 7.136 1.00 0.00 O ATOM 1162 CB GLN A 73 -5.016 11.968 9.157 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.361 10.567 9.663 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.058 10.474 11.159 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -3.967 10.788 11.590 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.984 10.051 11.976 1.00 0.00 N ATOM 0 H GLN A 73 -5.457 10.173 7.488 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.793 12.590 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.944 12.048 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.269 12.712 9.913 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.414 10.352 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.784 9.820 9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.901 9.787 11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.791 9.985 12.975 1.00 0.00 H new ATOM 1175 N GLN A 74 -4.062 12.977 6.314 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.322 14.003 5.522 1.00 0.00 C ATOM 1177 C GLN A 74 -4.288 14.756 4.603 1.00 0.00 C ATOM 1178 O GLN A 74 -4.110 15.928 4.331 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.247 13.319 4.676 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.230 12.647 5.599 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.510 13.711 6.431 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.309 14.539 5.842 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 -0.695 13.790 7.628 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.723 12.020 6.213 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.856 14.711 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.702 12.579 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.750 14.050 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.733 11.937 6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.508 12.081 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.335 13.143 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.211 14.503 8.173 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.307 14.100 4.120 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.275 14.790 3.219 1.00 0.00 C ATOM 1194 C LEU A 75 -6.804 16.050 3.908 1.00 0.00 C ATOM 1195 O LEU A 75 -7.254 16.977 3.264 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.444 13.856 2.903 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.069 12.929 1.746 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.927 13.743 0.461 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.741 12.232 2.054 1.00 0.00 C ATOM 0 H LEU A 75 -5.512 13.119 4.309 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.771 15.063 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.700 13.268 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.327 14.439 2.642 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.851 12.181 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.660 13.080 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.872 14.237 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.147 14.494 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.476 11.572 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.959 12.980 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.841 11.647 2.968 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.752 16.091 5.210 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.252 17.292 5.935 1.00 0.00 C ATOM 1213 C GLN A 76 -6.278 18.451 5.724 1.00 0.00 C ATOM 1214 O GLN A 76 -5.800 19.052 6.664 1.00 0.00 O ATOM 1215 CB GLN A 76 -7.358 16.980 7.429 1.00 0.00 C ATOM 1216 CG GLN A 76 -8.202 15.720 7.632 1.00 0.00 C ATOM 1217 CD GLN A 76 -8.807 15.733 9.037 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -8.110 15.948 10.008 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -10.084 15.510 9.186 1.00 0.00 N ATOM 0 H GLN A 76 -6.386 15.346 5.803 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.235 17.566 5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.364 16.836 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.810 17.821 7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.994 15.675 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.586 14.831 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.669 15.330 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.497 15.516 10.118 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.977 18.769 4.495 1.00 0.00 N ATOM 1229 CA GLY A 77 -5.031 19.889 4.226 1.00 0.00 C ATOM 1230 C GLY A 77 -5.094 20.266 2.746 1.00 0.00 C ATOM 1231 O GLY A 77 -6.154 20.484 2.195 1.00 0.00 O ATOM 0 H GLY A 77 -6.345 18.302 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.286 20.751 4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.016 19.594 4.494 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.965 20.344 2.098 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.959 20.707 0.653 1.00 0.00 C ATOM 1237 C GLY A 78 -3.518 19.499 -0.175 1.00 0.00 C ATOM 1238 O GLY A 78 -3.110 19.628 -1.312 1.00 0.00 O ATOM 0 H GLY A 78 -3.046 20.172 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.953 21.030 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.284 21.545 0.481 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.598 18.321 0.385 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.183 17.106 -0.372 1.00 0.00 C ATOM 1244 C ASP A 79 -4.367 16.589 -1.196 1.00 0.00 C ATOM 1245 O ASP A 79 -4.567 15.399 -1.335 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.727 16.021 0.609 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.171 16.389 2.026 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.295 16.837 2.176 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.378 16.217 2.937 1.00 0.00 O ATOM 0 H ASP A 79 -3.933 18.149 1.333 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.359 17.358 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.150 15.058 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.643 15.916 0.573 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.153 17.474 -1.745 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.321 17.030 -2.558 1.00 0.00 C ATOM 1256 C ASN A 80 -5.848 16.056 -3.640 1.00 0.00 C ATOM 1257 O ASN A 80 -6.639 15.513 -4.386 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.978 18.245 -3.218 1.00 0.00 C ATOM 1259 CG ASN A 80 -7.186 19.346 -2.176 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -8.094 19.275 -1.373 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -6.375 20.369 -2.156 1.00 0.00 N ATOM 0 H ASN A 80 -5.037 18.484 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.045 16.533 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.352 18.613 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.934 17.960 -3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.504 21.109 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.612 20.428 -2.831 1.00 0.00 H new ATOM 1268 N SER A 81 -4.567 15.813 -3.718 1.00 0.00 N ATOM 1269 CA SER A 81 -4.053 14.859 -4.735 1.00 0.00 C ATOM 1270 C SER A 81 -4.196 13.455 -4.164 1.00 0.00 C ATOM 1271 O SER A 81 -4.661 12.546 -4.822 1.00 0.00 O ATOM 1272 CB SER A 81 -2.580 15.153 -5.029 1.00 0.00 C ATOM 1273 OG SER A 81 -2.349 15.031 -6.427 1.00 0.00 O ATOM 0 H SER A 81 -3.857 16.235 -3.120 1.00 0.00 H new ATOM 0 HA SER A 81 -4.613 14.954 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.323 16.157 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.942 14.460 -4.481 1.00 0.00 H new ATOM 0 HG SER A 81 -1.407 15.220 -6.621 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.825 13.282 -2.926 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.968 11.949 -2.294 1.00 0.00 C ATOM 1281 C LEU A 82 -5.417 11.507 -2.456 1.00 0.00 C ATOM 1282 O LEU A 82 -5.711 10.353 -2.694 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.617 12.052 -0.817 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.101 11.958 -0.670 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.428 12.914 -1.654 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.700 12.342 0.750 1.00 0.00 C ATOM 0 H LEU A 82 -3.430 14.008 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.301 11.225 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.979 12.995 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.102 11.253 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.785 10.936 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.346 12.844 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.709 12.646 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.748 13.935 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.617 12.274 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.021 13.363 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.175 11.663 1.458 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.326 12.436 -2.345 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.764 12.093 -2.511 1.00 0.00 C ATOM 1300 C HIS A 83 -7.904 11.191 -3.733 1.00 0.00 C ATOM 1301 O HIS A 83 -8.803 10.379 -3.826 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.576 13.372 -2.729 1.00 0.00 C ATOM 1303 CG HIS A 83 -10.043 13.056 -2.630 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.766 12.549 -3.701 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.937 13.165 -1.592 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -12.035 12.374 -3.289 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.190 12.734 -2.013 1.00 0.00 N ATOM 0 H HIS A 83 -6.134 13.418 -2.146 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.133 11.585 -1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.303 14.120 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.350 13.797 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.703 13.529 -0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.829 11.990 -3.913 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.048 12.700 -1.462 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.012 11.333 -4.675 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.076 10.489 -5.900 1.00 0.00 C ATOM 1318 C ASN A 84 -6.170 9.269 -5.730 1.00 0.00 C ATOM 1319 O ASN A 84 -6.445 8.204 -6.245 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.610 11.306 -7.108 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.442 12.586 -7.214 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.633 12.572 -6.973 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -6.861 13.700 -7.569 1.00 0.00 N ATOM 0 H ASN A 84 -6.240 11.999 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.103 10.158 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.554 11.554 -7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.713 10.717 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.407 14.558 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.861 13.712 -7.771 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.088 9.411 -5.010 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.173 8.258 -4.814 1.00 0.00 C ATOM 1332 C VAL A 85 -4.586 7.499 -3.551 1.00 0.00 C ATOM 1333 O VAL A 85 -4.712 6.290 -3.553 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.740 8.776 -4.656 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.744 7.775 -5.247 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.604 10.115 -5.386 1.00 0.00 C ATOM 0 H VAL A 85 -4.802 10.276 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.226 7.590 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.525 8.905 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.730 8.157 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.836 6.821 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.956 7.634 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.586 10.487 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.828 9.977 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.302 10.835 -4.958 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.801 8.202 -2.473 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.210 7.524 -1.211 1.00 0.00 C ATOM 1348 C HIS A 86 -6.412 6.619 -1.495 1.00 0.00 C ATOM 1349 O HIS A 86 -6.664 5.665 -0.787 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.579 8.582 -0.161 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.682 8.065 0.725 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.830 8.804 0.984 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.831 6.887 1.419 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.610 8.071 1.799 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -8.047 6.898 2.093 1.00 0.00 N ATOM 0 H HIS A 86 -4.711 9.216 -2.412 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.388 6.919 -0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.704 8.830 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.898 9.500 -0.654 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.043 9.734 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.115 6.079 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.572 8.392 2.169 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.152 6.909 -2.530 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.332 6.062 -2.863 1.00 0.00 C ATOM 1366 C GLU A 87 -7.852 4.754 -3.494 1.00 0.00 C ATOM 1367 O GLU A 87 -8.525 3.745 -3.440 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.236 6.805 -3.848 1.00 0.00 C ATOM 1369 CG GLU A 87 -8.552 6.878 -5.214 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.232 5.905 -6.177 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.227 6.288 -6.771 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -8.749 4.792 -6.304 1.00 0.00 O ATOM 0 H GLU A 87 -6.991 7.695 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.893 5.845 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.194 6.293 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.445 7.810 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.607 7.893 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.495 6.631 -5.117 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.690 4.761 -4.088 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.170 3.514 -4.712 1.00 0.00 C ATOM 1381 C ASN A 88 -5.894 2.487 -3.616 1.00 0.00 C ATOM 1382 O ASN A 88 -6.391 1.378 -3.649 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.872 3.815 -5.466 1.00 0.00 C ATOM 1384 CG ASN A 88 -5.195 4.163 -6.919 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.943 3.463 -7.572 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.657 5.223 -7.456 1.00 0.00 N ATOM 0 H ASN A 88 -6.080 5.575 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.907 3.121 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.347 4.643 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.208 2.952 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.864 5.465 -8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.029 5.810 -6.907 1.00 0.00 H new ATOM 1393 N ILE A 89 -5.108 2.848 -2.637 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.809 1.893 -1.535 1.00 0.00 C ATOM 1395 C ILE A 89 -6.101 1.178 -1.134 1.00 0.00 C ATOM 1396 O ILE A 89 -6.128 -0.021 -0.957 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.248 2.657 -0.334 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.872 3.224 -0.688 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.110 1.708 0.857 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.801 2.156 -0.448 1.00 0.00 C ATOM 0 H ILE A 89 -4.662 3.761 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.072 1.162 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.925 3.471 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.856 3.543 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.664 4.106 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.710 2.253 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.088 1.299 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.433 0.894 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.821 2.561 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.812 1.859 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.007 1.287 -1.073 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.176 1.906 -0.997 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.467 1.271 -0.613 1.00 0.00 C ATOM 1414 C LYS A 90 -8.668 -0.016 -1.420 1.00 0.00 C ATOM 1415 O LYS A 90 -8.752 -1.097 -0.871 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.615 2.240 -0.906 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.616 2.215 0.250 1.00 0.00 C ATOM 1418 CD LYS A 90 -9.957 2.779 1.511 1.00 0.00 C ATOM 1419 CE LYS A 90 -10.918 3.752 2.196 1.00 0.00 C ATOM 1420 NZ LYS A 90 -10.237 4.387 3.359 1.00 0.00 N ATOM 0 H LYS A 90 -7.215 2.916 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.451 1.032 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.226 3.249 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.111 1.961 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.497 2.803 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.954 1.195 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.696 1.969 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.029 3.289 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.243 4.516 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.812 3.224 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.872 5.086 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.993 3.658 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.370 4.862 3.037 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.748 0.092 -2.719 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.944 -1.128 -3.556 1.00 0.00 C ATOM 1436 C GLU A 91 -7.611 -1.863 -3.709 1.00 0.00 C ATOM 1437 O GLU A 91 -7.540 -3.072 -3.604 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.468 -0.725 -4.940 1.00 0.00 C ATOM 1439 CG GLU A 91 -8.948 0.668 -5.305 1.00 0.00 C ATOM 1440 CD GLU A 91 -9.355 1.003 -6.741 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -9.658 0.081 -7.481 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -9.356 2.176 -7.077 1.00 0.00 O ATOM 0 H GLU A 91 -8.686 0.969 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.668 -1.785 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.146 -1.451 -5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.558 -0.728 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.353 1.411 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.863 0.701 -5.206 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.553 -1.142 -3.954 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.221 -1.791 -4.112 1.00 0.00 C ATOM 1451 C ILE A 92 -4.940 -2.681 -2.897 1.00 0.00 C ATOM 1452 O ILE A 92 -4.519 -3.813 -3.022 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.147 -0.702 -4.209 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.816 -0.441 -5.680 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.881 -1.146 -3.466 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.939 -1.572 -6.211 1.00 0.00 C ATOM 0 H ILE A 92 -6.553 -0.127 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.211 -2.402 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.523 0.213 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.734 -0.373 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.300 0.514 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.123 -0.366 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.118 -1.323 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.501 -2.065 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.702 -1.388 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.016 -1.619 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.472 -2.519 -6.121 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.154 -2.163 -1.724 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.891 -2.953 -0.491 1.00 0.00 C ATOM 1470 C PHE A 93 -5.854 -4.137 -0.428 1.00 0.00 C ATOM 1471 O PHE A 93 -5.454 -5.263 -0.204 1.00 0.00 O ATOM 1472 CB PHE A 93 -5.089 -2.035 0.719 1.00 0.00 C ATOM 1473 CG PHE A 93 -5.095 -2.817 2.009 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.469 -4.066 2.102 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.730 -2.269 3.128 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.483 -4.762 3.313 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.745 -2.964 4.337 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.121 -4.213 4.432 1.00 0.00 C ATOM 0 H PHE A 93 -5.503 -1.218 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.872 -3.340 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.293 -1.291 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.029 -1.493 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.977 -4.490 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.210 -1.304 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -4.001 -5.726 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.238 -2.539 5.199 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.132 -4.753 5.367 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.119 -3.902 -0.635 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.089 -5.027 -0.595 1.00 0.00 C ATOM 1490 C HIS A 94 -7.970 -5.830 -1.891 1.00 0.00 C ATOM 1491 O HIS A 94 -8.670 -6.802 -2.095 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.511 -4.483 -0.452 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.338 -5.450 0.348 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.415 -5.040 1.122 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.258 -6.813 0.507 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.935 -6.136 1.706 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.266 -7.238 1.365 1.00 0.00 N ATOM 0 H HIS A 94 -7.520 -2.985 -0.829 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.871 -5.669 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.492 -3.510 0.040 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.956 -4.334 -1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.526 -7.454 0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.788 -6.124 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.454 -8.193 1.670 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.078 -5.440 -2.763 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.910 -6.194 -4.036 1.00 0.00 C ATOM 1508 C HIS A 95 -5.928 -7.340 -3.796 1.00 0.00 C ATOM 1509 O HIS A 95 -5.932 -8.335 -4.493 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.375 -5.266 -5.132 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.531 -4.632 -5.858 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.847 -4.998 -5.615 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.586 -3.653 -6.821 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -9.632 -4.252 -6.415 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.911 -3.418 -7.167 1.00 0.00 N ATOM 0 H HIS A 95 -6.462 -4.635 -2.648 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.872 -6.590 -4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.740 -4.496 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.757 -5.829 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.732 -3.145 -7.243 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.709 -4.320 -6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.260 -2.748 -7.853 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.097 -7.214 -2.795 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.131 -8.301 -2.490 1.00 0.00 C ATOM 1526 C LEU A 96 -4.868 -9.402 -1.730 1.00 0.00 C ATOM 1527 O LEU A 96 -4.916 -10.537 -2.160 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.993 -7.759 -1.627 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.668 -8.401 -2.051 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.609 -8.111 -0.991 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.841 -9.918 -2.186 1.00 0.00 C ATOM 0 H LEU A 96 -5.048 -6.404 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.712 -8.696 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.932 -6.676 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.190 -7.970 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.360 -7.987 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.336 -8.566 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.478 -7.033 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.928 -8.527 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.895 -10.367 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.152 -10.335 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.600 -10.132 -2.938 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.460 -9.076 -0.609 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.204 -10.114 0.155 1.00 0.00 C ATOM 1545 C GLU A 97 -7.144 -10.842 -0.805 1.00 0.00 C ATOM 1546 O GLU A 97 -7.763 -11.829 -0.460 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.021 -9.453 1.268 1.00 0.00 C ATOM 1548 CG GLU A 97 -6.084 -8.730 2.237 1.00 0.00 C ATOM 1549 CD GLU A 97 -6.905 -7.835 3.167 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.749 -7.109 2.667 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -6.677 -7.891 4.365 1.00 0.00 O ATOM 0 H GLU A 97 -5.459 -8.144 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.503 -10.819 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.732 -8.747 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.602 -10.205 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.516 -9.455 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.362 -8.131 1.683 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.246 -10.363 -2.018 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.134 -11.027 -3.011 1.00 0.00 C ATOM 1560 C GLU A 98 -7.320 -12.069 -3.778 1.00 0.00 C ATOM 1561 O GLU A 98 -7.774 -13.171 -4.012 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.688 -9.986 -3.987 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.252 -10.692 -5.222 1.00 0.00 C ATOM 1564 CD GLU A 98 -8.261 -10.569 -6.380 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -7.625 -9.532 -6.482 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -8.153 -11.512 -7.145 1.00 0.00 O ATOM 0 H GLU A 98 -6.751 -9.540 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.966 -11.509 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.468 -9.398 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.901 -9.292 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.438 -11.743 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.209 -10.251 -5.500 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.116 -11.735 -4.162 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.278 -12.720 -4.899 1.00 0.00 C ATOM 1575 C LEU A 99 -5.013 -13.913 -3.983 1.00 0.00 C ATOM 1576 O LEU A 99 -4.447 -14.911 -4.385 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.951 -12.069 -5.299 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.079 -11.464 -6.699 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.357 -10.117 -6.746 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.449 -12.412 -7.721 1.00 0.00 C ATOM 0 H LEU A 99 -5.680 -10.827 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.794 -13.051 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.683 -11.295 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.151 -12.810 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.133 -11.318 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.450 -9.689 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.803 -9.440 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.303 -10.261 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.539 -11.983 -8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.395 -12.557 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.963 -13.373 -7.691 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.425 -13.811 -2.750 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.212 -14.926 -1.787 1.00 0.00 C ATOM 1594 C VAL A 100 -6.562 -15.558 -1.440 1.00 0.00 C ATOM 1595 O VAL A 100 -6.664 -16.748 -1.213 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.546 -14.374 -0.525 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.857 -13.053 -0.858 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.597 -14.129 0.555 1.00 0.00 C ATOM 0 H VAL A 100 -5.904 -12.996 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.568 -15.687 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.816 -15.096 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.381 -12.655 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.102 -13.220 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.595 -12.339 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.114 -13.736 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.330 -13.409 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.098 -15.067 0.795 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.598 -14.765 -1.392 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.939 -15.315 -1.053 1.00 0.00 C ATOM 1610 C HIS A 101 -9.283 -16.460 -2.009 1.00 0.00 C ATOM 1611 O HIS A 101 -10.248 -17.173 -1.817 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.992 -14.212 -1.184 1.00 0.00 C ATOM 1613 CG HIS A 101 -9.835 -13.225 -0.061 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -9.076 -13.500 1.068 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -10.333 -11.958 0.121 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -9.139 -12.423 1.872 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -9.891 -11.457 1.341 1.00 0.00 N ATOM 0 H HIS A 101 -7.573 -13.761 -1.573 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.926 -15.689 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.885 -13.706 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.992 -14.646 -1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.969 -11.432 -0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.643 -12.349 2.828 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -10.098 -10.543 1.745 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.509 -16.637 -3.044 1.00 0.00 N ATOM 1627 CA ARG A 102 -8.800 -17.730 -4.014 1.00 0.00 C ATOM 1628 C ARG A 102 -7.800 -18.872 -3.821 1.00 0.00 C ATOM 1629 O ARG A 102 -8.151 -19.835 -3.159 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.685 -17.183 -5.438 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.811 -15.658 -5.403 1.00 0.00 C ATOM 1632 CD ARG A 102 -8.964 -15.121 -6.827 1.00 0.00 C ATOM 1633 NE ARG A 102 -8.263 -16.029 -7.778 1.00 0.00 N ATOM 1634 CZ ARG A 102 -8.591 -16.024 -9.041 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -9.529 -15.223 -9.467 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -7.980 -16.819 -9.877 1.00 0.00 N ATOM 1637 OXT ARG A 102 -6.701 -18.764 -4.340 1.00 0.00 O ATOM 0 H ARG A 102 -7.688 -16.072 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.809 -18.107 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.729 -17.471 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.465 -17.610 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.672 -15.368 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.930 -15.221 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.020 -15.048 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.549 -14.115 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.529 -16.653 -7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.005 -14.602 -8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.786 -15.218 -10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.246 -17.444 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.236 -16.815 -10.864 1.00 0.00 H new TER 1651 ARG A 102