USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=19 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 84 HIS :FLIP no HE2:sc=-0.00758 F(o=-0.56,f=-0.019) USER MOD Set 1.2: A 88 ASN :FLIP amide:sc= -0.0118 F(o=-0.63,f=-0.019) USER MOD Set 2.1: A 22 ASN : amide:sc= -3.83! C(o=-2.8!,f=-8.4!) USER MOD Set 2.2: A 81 THR OG1 : rot 175:sc= 1 USER MOD Set 3.1: A 20 HIS :FLIP no HE2:sc= -10.7! C(o=-12!,f=-11!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -169:sc= -0.164 (180deg=-0.434) USER MOD Set 3.3: A 31 HIS : no HD1:sc= 0.0326 X(o=-11,f=-11) USER MOD Set 4.1: A 24 HIS : no HD1:sc= 0.174 X(o=-1.9,f=-2.2) USER MOD Set 4.2: A 74 HIS : no HE2:sc= -2.03 X(o=-1.9,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0109 (180deg=-0.135) 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 : amide:sc= -3.48 K(o=-3.5,f=-15!) USER MOD Single : A 13 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.028) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 138:sc=-0.00544 (180deg=-0.329) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0117 F(o=-0.67,f=-0.012) USER MOD Single : A 45 HIS : no HE2:sc= -14.9! C(o=-15!,f=-17!) USER MOD Single : A 48 MET CE :methyl -157:sc= -10.6! (180deg=-12.3!) USER MOD Single : A 49 GLN : amide:sc= -0.0648 K(o=-0.065,f=-2.5!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.131 USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= -4.17! (180deg=-4.89!) USER MOD Single : A 58 GLN : amide:sc= -0.0012 X(o=-0.0012,f=-0.0034) USER MOD Single : A 60 MET CE :methyl 155:sc= -1.44 (180deg=-2.11) USER MOD Single : A 61 MET CE :methyl -110:sc= -0.16 (180deg=-2.98!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.041) USER MOD Single : A 72 ASN : amide:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.18) USER MOD Single : A 76 GLN : amide:sc= -1.98 K(o=-2,f=-7.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.48) USER MOD Single : A 87 GLN : amide:sc= -5.24 K(o=-5.2,f=-6.7!) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc=-0.00315 (180deg=-0.528) USER MOD Single : A 94 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.9!) USER MOD Single : A 95 HIS : no HD1:sc= -0.465 X(o=-0.47,f=-0.4) USER MOD Single : A 101 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.933 -20.827 4.253 1.00 0.00 N ATOM 2 CA MET A 1 -1.554 -21.049 4.760 1.00 0.00 C ATOM 3 C MET A 1 -0.712 -19.781 4.642 1.00 0.00 C ATOM 4 O MET A 1 0.112 -19.487 5.507 1.00 0.00 O ATOM 5 CB MET A 1 -0.917 -22.186 3.956 1.00 0.00 C ATOM 6 CG MET A 1 -0.848 -23.501 4.714 1.00 0.00 C ATOM 7 SD MET A 1 0.758 -23.774 5.486 1.00 0.00 S ATOM 8 CE MET A 1 0.452 -25.296 6.379 1.00 0.00 C ATOM 0 H1 MET A 1 -3.533 -21.636 4.513 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.322 -19.959 4.673 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.911 -20.731 3.218 1.00 0.00 H new ATOM 0 HA MET A 1 -1.598 -21.315 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.486 -22.334 3.038 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.091 -21.892 3.662 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.622 -23.515 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.062 -24.322 4.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.356 -25.595 6.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.355 -25.142 7.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.168 -26.079 5.676 1.00 0.00 H new ATOM 20 N TYR A 2 -0.926 -19.034 3.563 1.00 0.00 N ATOM 21 CA TYR A 2 -0.188 -17.798 3.329 1.00 0.00 C ATOM 22 C TYR A 2 -1.033 -16.583 3.699 1.00 0.00 C ATOM 23 O TYR A 2 -1.568 -15.898 2.827 1.00 0.00 O ATOM 24 CB TYR A 2 0.244 -17.708 1.862 1.00 0.00 C ATOM 25 CG TYR A 2 1.135 -18.849 1.418 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.678 -20.162 1.438 1.00 0.00 C ATOM 27 CD2 TYR A 2 2.432 -18.612 0.979 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.489 -21.205 1.035 1.00 0.00 C ATOM 29 CE2 TYR A 2 3.248 -19.651 0.574 1.00 0.00 C ATOM 30 CZ TYR A 2 2.773 -20.945 0.603 1.00 0.00 C ATOM 31 OH TYR A 2 3.583 -21.982 0.201 1.00 0.00 O ATOM 0 H TYR A 2 -1.605 -19.263 2.837 1.00 0.00 H new ATOM 0 HA TYR A 2 0.700 -17.807 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.645 -17.687 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.769 -16.766 1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.327 -20.370 1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 2 2.808 -17.600 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.119 -22.220 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 2 4.254 -19.450 0.236 1.00 0.00 H new ATOM 0 HH TYR A 2 4.455 -21.629 -0.074 1.00 0.00 H new ATOM 41 N GLY A 3 -1.149 -16.319 4.997 1.00 0.00 N ATOM 42 CA GLY A 3 -1.931 -15.186 5.455 1.00 0.00 C ATOM 43 C GLY A 3 -1.184 -14.316 6.445 1.00 0.00 C ATOM 44 O GLY A 3 -1.738 -13.348 6.966 1.00 0.00 O ATOM 0 H GLY A 3 -0.716 -16.869 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.223 -14.582 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.849 -15.548 5.918 1.00 0.00 H new ATOM 48 N LYS A 4 0.077 -14.648 6.701 1.00 0.00 N ATOM 49 CA LYS A 4 0.889 -13.872 7.629 1.00 0.00 C ATOM 50 C LYS A 4 1.505 -12.681 6.931 1.00 0.00 C ATOM 51 O LYS A 4 1.917 -11.720 7.580 1.00 0.00 O ATOM 52 CB LYS A 4 1.982 -14.736 8.254 1.00 0.00 C ATOM 53 CG LYS A 4 2.698 -14.063 9.414 1.00 0.00 C ATOM 54 CD LYS A 4 2.062 -14.421 10.747 1.00 0.00 C ATOM 55 CE LYS A 4 0.617 -13.953 10.821 1.00 0.00 C ATOM 56 NZ LYS A 4 0.077 -14.035 12.205 1.00 0.00 N ATOM 0 H LYS A 4 0.556 -15.445 6.281 1.00 0.00 H new ATOM 0 HA LYS A 4 0.236 -13.514 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.541 -15.670 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.712 -14.995 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.746 -14.362 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.676 -12.982 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.103 -15.500 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.634 -13.968 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.550 -12.925 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.004 -14.561 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.910 -13.707 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.117 -15.020 12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.646 -13.435 12.836 1.00 0.00 H new ATOM 70 N LEU A 5 1.537 -12.719 5.604 1.00 0.00 N ATOM 71 CA LEU A 5 2.069 -11.603 4.851 1.00 0.00 C ATOM 72 C LEU A 5 1.353 -10.326 5.279 1.00 0.00 C ATOM 73 O LEU A 5 1.861 -9.221 5.092 1.00 0.00 O ATOM 74 CB LEU A 5 1.910 -11.829 3.347 1.00 0.00 C ATOM 75 CG LEU A 5 3.134 -11.445 2.520 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.515 -10.000 2.793 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.302 -12.372 2.832 1.00 0.00 C ATOM 0 H LEU A 5 1.205 -13.501 5.039 1.00 0.00 H new ATOM 0 HA LEU A 5 3.135 -11.511 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.683 -12.881 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.053 -11.255 2.994 1.00 0.00 H new ATOM 0 HG LEU A 5 2.888 -11.549 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.389 -9.736 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.684 -9.348 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.746 -9.878 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.166 -12.083 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.553 -12.298 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.024 -13.399 2.596 1.00 0.00 H new ATOM 89 N ASN A 6 0.165 -10.494 5.872 1.00 0.00 N ATOM 90 CA ASN A 6 -0.612 -9.365 6.341 1.00 0.00 C ATOM 91 C ASN A 6 0.153 -8.591 7.405 1.00 0.00 C ATOM 92 O ASN A 6 0.180 -7.361 7.390 1.00 0.00 O ATOM 93 CB ASN A 6 -1.959 -9.821 6.892 1.00 0.00 C ATOM 94 CG ASN A 6 -1.818 -10.830 8.015 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.749 -11.406 8.217 1.00 0.00 O ATOM 96 ND2 ASN A 6 -2.901 -11.049 8.752 1.00 0.00 N ATOM 0 H ASN A 6 -0.269 -11.403 6.033 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.792 -8.707 5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.511 -8.954 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.547 -10.260 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.868 -11.718 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.766 -10.549 8.548 1.00 0.00 H new ATOM 103 N ASP A 7 0.793 -9.317 8.321 1.00 0.00 N ATOM 104 CA ASP A 7 1.576 -8.687 9.379 1.00 0.00 C ATOM 105 C ASP A 7 2.517 -7.649 8.777 1.00 0.00 C ATOM 106 O ASP A 7 2.849 -6.647 9.410 1.00 0.00 O ATOM 107 CB ASP A 7 2.378 -9.737 10.152 1.00 0.00 C ATOM 108 CG ASP A 7 2.948 -9.192 11.447 1.00 0.00 C ATOM 109 OD1 ASP A 7 2.311 -8.300 12.046 1.00 0.00 O ATOM 110 OD2 ASP A 7 4.030 -9.658 11.862 1.00 0.00 O ATOM 0 H ASP A 7 0.784 -10.337 8.351 1.00 0.00 H new ATOM 0 HA ASP A 7 0.894 -8.194 10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.737 -10.591 10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.192 -10.102 9.525 1.00 0.00 H new ATOM 115 N LEU A 8 2.923 -7.897 7.535 1.00 0.00 N ATOM 116 CA LEU A 8 3.805 -6.992 6.817 1.00 0.00 C ATOM 117 C LEU A 8 2.993 -5.882 6.160 1.00 0.00 C ATOM 118 O LEU A 8 3.444 -4.741 6.065 1.00 0.00 O ATOM 119 CB LEU A 8 4.593 -7.758 5.750 1.00 0.00 C ATOM 120 CG LEU A 8 5.926 -7.129 5.331 1.00 0.00 C ATOM 121 CD1 LEU A 8 5.769 -5.637 5.080 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.992 -7.385 6.386 1.00 0.00 C ATOM 0 H LEU A 8 2.651 -8.725 7.005 1.00 0.00 H new ATOM 0 HA LEU A 8 4.505 -6.550 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.787 -8.764 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.966 -7.860 4.864 1.00 0.00 H new ATOM 0 HG LEU A 8 6.243 -7.597 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.729 -5.215 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.041 -5.476 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.424 -5.149 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.932 -6.931 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.678 -6.949 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.131 -8.459 6.509 1.00 0.00 H new ATOM 134 N LEU A 9 1.786 -6.223 5.713 1.00 0.00 N ATOM 135 CA LEU A 9 0.916 -5.249 5.070 1.00 0.00 C ATOM 136 C LEU A 9 0.523 -4.148 6.053 1.00 0.00 C ATOM 137 O LEU A 9 0.277 -3.008 5.664 1.00 0.00 O ATOM 138 CB LEU A 9 -0.339 -5.931 4.520 1.00 0.00 C ATOM 139 CG LEU A 9 -0.206 -6.473 3.094 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.225 -7.574 2.842 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.371 -5.350 2.082 1.00 0.00 C ATOM 0 H LEU A 9 1.393 -7.161 5.785 1.00 0.00 H new ATOM 0 HA LEU A 9 1.463 -4.800 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.607 -6.754 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.163 -5.218 4.547 1.00 0.00 H new ATOM 0 HG LEU A 9 0.791 -6.898 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.114 -7.946 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.061 -8.390 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.231 -7.176 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.274 -5.752 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.355 -4.897 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.398 -4.595 2.247 1.00 0.00 H new ATOM 153 N GLU A 10 0.464 -4.502 7.335 1.00 0.00 N ATOM 154 CA GLU A 10 0.098 -3.551 8.382 1.00 0.00 C ATOM 155 C GLU A 10 0.958 -2.290 8.313 1.00 0.00 C ATOM 156 O GLU A 10 0.441 -1.174 8.326 1.00 0.00 O ATOM 157 CB GLU A 10 0.236 -4.203 9.759 1.00 0.00 C ATOM 158 CG GLU A 10 -0.942 -3.929 10.682 1.00 0.00 C ATOM 159 CD GLU A 10 -1.874 -5.118 10.804 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.243 -5.693 9.758 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.237 -5.474 11.945 1.00 0.00 O ATOM 0 H GLU A 10 0.665 -5.443 7.674 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.941 -3.262 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.345 -5.280 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.150 -3.843 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.570 -3.661 11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.500 -3.071 10.308 1.00 0.00 H new ATOM 168 N ASP A 11 2.274 -2.476 8.244 1.00 0.00 N ATOM 169 CA ASP A 11 3.203 -1.351 8.176 1.00 0.00 C ATOM 170 C ASP A 11 2.849 -0.423 7.019 1.00 0.00 C ATOM 171 O ASP A 11 2.810 0.797 7.176 1.00 0.00 O ATOM 172 CB ASP A 11 4.638 -1.856 8.020 1.00 0.00 C ATOM 173 CG ASP A 11 5.341 -2.016 9.354 1.00 0.00 C ATOM 174 OD1 ASP A 11 4.647 -2.222 10.370 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.587 -1.934 9.381 1.00 0.00 O ATOM 0 H ASP A 11 2.720 -3.393 8.234 1.00 0.00 H new ATOM 0 HA ASP A 11 3.123 -0.789 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.629 -2.814 7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.200 -1.160 7.397 1.00 0.00 H new ATOM 180 N LEU A 12 2.588 -1.013 5.857 1.00 0.00 N ATOM 181 CA LEU A 12 2.231 -0.255 4.669 1.00 0.00 C ATOM 182 C LEU A 12 1.043 0.652 4.953 1.00 0.00 C ATOM 183 O LEU A 12 1.136 1.869 4.840 1.00 0.00 O ATOM 184 CB LEU A 12 1.929 -1.216 3.495 1.00 0.00 C ATOM 185 CG LEU A 12 0.567 -1.051 2.784 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.745 -1.055 1.274 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.395 -2.155 3.196 1.00 0.00 C ATOM 0 H LEU A 12 2.618 -2.023 5.715 1.00 0.00 H new ATOM 0 HA LEU A 12 3.074 0.376 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.716 -1.098 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.994 -2.238 3.869 1.00 0.00 H new ATOM 0 HG LEU A 12 0.146 -0.092 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.226 -0.938 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.396 -0.231 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.192 -1.999 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.347 -2.018 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.026 -3.124 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.555 -2.115 4.274 1.00 0.00 H new ATOM 199 N GLN A 13 -0.075 0.040 5.315 1.00 0.00 N ATOM 200 CA GLN A 13 -1.300 0.779 5.600 1.00 0.00 C ATOM 201 C GLN A 13 -1.063 1.888 6.623 1.00 0.00 C ATOM 202 O GLN A 13 -1.635 2.973 6.517 1.00 0.00 O ATOM 203 CB GLN A 13 -2.389 -0.171 6.102 1.00 0.00 C ATOM 204 CG GLN A 13 -3.769 0.463 6.161 1.00 0.00 C ATOM 205 CD GLN A 13 -4.715 -0.287 7.080 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.806 -0.687 6.674 1.00 0.00 O ATOM 207 NE2 GLN A 13 -4.301 -0.481 8.327 1.00 0.00 N ATOM 0 H GLN A 13 -0.161 -0.971 5.419 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.628 1.244 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.427 -1.044 5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.119 -0.527 7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.677 1.494 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.193 0.496 5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.389 -0.132 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.895 -0.979 8.990 1.00 0.00 H new ATOM 216 N GLU A 14 -0.213 1.617 7.609 1.00 0.00 N ATOM 217 CA GLU A 14 0.096 2.605 8.637 1.00 0.00 C ATOM 218 C GLU A 14 1.065 3.637 8.092 1.00 0.00 C ATOM 219 O GLU A 14 1.043 4.801 8.491 1.00 0.00 O ATOM 220 CB GLU A 14 0.682 1.927 9.876 1.00 0.00 C ATOM 221 CG GLU A 14 0.324 2.624 11.179 1.00 0.00 C ATOM 222 CD GLU A 14 -0.588 1.788 12.057 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.823 1.888 11.896 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.067 1.035 12.906 1.00 0.00 O ATOM 0 H GLU A 14 0.272 0.726 7.718 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.827 3.107 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.330 0.896 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.767 1.889 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.238 2.854 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.162 3.574 10.957 1.00 0.00 H new ATOM 231 N VAL A 15 1.904 3.205 7.161 1.00 0.00 N ATOM 232 CA VAL A 15 2.865 4.094 6.543 1.00 0.00 C ATOM 233 C VAL A 15 2.144 5.169 5.743 1.00 0.00 C ATOM 234 O VAL A 15 2.645 6.281 5.581 1.00 0.00 O ATOM 235 CB VAL A 15 3.867 3.311 5.671 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.372 3.095 4.244 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.208 4.012 5.683 1.00 0.00 C ATOM 0 H VAL A 15 1.935 2.244 6.820 1.00 0.00 H new ATOM 0 HA VAL A 15 3.441 4.585 7.328 1.00 0.00 H new ATOM 0 HB VAL A 15 3.973 2.317 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.120 2.538 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.439 2.531 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.202 4.061 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.914 3.457 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.095 5.021 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.582 4.064 6.705 1.00 0.00 H new ATOM 247 N LEU A 16 0.945 4.836 5.268 1.00 0.00 N ATOM 248 CA LEU A 16 0.139 5.787 4.519 1.00 0.00 C ATOM 249 C LEU A 16 -0.188 6.982 5.404 1.00 0.00 C ATOM 250 O LEU A 16 -0.173 8.123 4.950 1.00 0.00 O ATOM 251 CB LEU A 16 -1.167 5.150 4.049 1.00 0.00 C ATOM 252 CG LEU A 16 -1.093 4.281 2.791 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.290 4.958 1.696 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.502 2.926 3.123 1.00 0.00 C ATOM 0 H LEU A 16 0.516 3.919 5.390 1.00 0.00 H new ATOM 0 HA LEU A 16 0.710 6.104 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.560 4.539 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.889 5.946 3.871 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.108 4.142 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.257 4.314 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.760 5.906 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.725 5.141 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.455 2.318 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.503 3.056 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.128 2.428 3.863 1.00 0.00 H new ATOM 266 N LYS A 17 -0.479 6.702 6.681 1.00 0.00 N ATOM 267 CA LYS A 17 -0.807 7.752 7.647 1.00 0.00 C ATOM 268 C LYS A 17 0.078 8.966 7.416 1.00 0.00 C ATOM 269 O LYS A 17 -0.380 10.108 7.473 1.00 0.00 O ATOM 270 CB LYS A 17 -0.631 7.239 9.077 1.00 0.00 C ATOM 271 CG LYS A 17 -1.405 8.045 10.108 1.00 0.00 C ATOM 272 CD LYS A 17 -0.614 8.212 11.395 1.00 0.00 C ATOM 273 CE LYS A 17 0.598 9.108 11.189 1.00 0.00 C ATOM 274 NZ LYS A 17 1.244 9.471 12.481 1.00 0.00 N ATOM 0 H LYS A 17 -0.493 5.758 7.066 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.849 8.039 7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.953 6.199 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.428 7.257 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.646 9.026 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.351 7.549 10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.256 8.638 12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.290 7.235 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.321 8.600 10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.295 10.015 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.066 10.082 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.562 9.978 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.556 8.607 12.968 1.00 0.00 H new ATOM 288 N ASN A 18 1.342 8.700 7.114 1.00 0.00 N ATOM 289 CA ASN A 18 2.293 9.762 6.825 1.00 0.00 C ATOM 290 C ASN A 18 1.880 10.459 5.539 1.00 0.00 C ATOM 291 O ASN A 18 1.684 11.674 5.500 1.00 0.00 O ATOM 292 CB ASN A 18 3.706 9.188 6.662 1.00 0.00 C ATOM 293 CG ASN A 18 4.538 9.328 7.922 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.198 10.093 8.823 1.00 0.00 O ATOM 295 ND2 ASN A 18 5.637 8.585 7.990 1.00 0.00 N ATOM 0 H ASN A 18 1.731 7.758 7.063 1.00 0.00 H new ATOM 0 HA ASN A 18 2.298 10.471 7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.638 8.135 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.209 9.697 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.237 8.636 8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.881 7.964 7.219 1.00 0.00 H new ATOM 302 N LEU A 19 1.751 9.653 4.491 1.00 0.00 N ATOM 303 CA LEU A 19 1.361 10.119 3.165 1.00 0.00 C ATOM 304 C LEU A 19 0.272 11.198 3.233 1.00 0.00 C ATOM 305 O LEU A 19 0.375 12.230 2.576 1.00 0.00 O ATOM 306 CB LEU A 19 0.905 8.902 2.335 1.00 0.00 C ATOM 307 CG LEU A 19 -0.365 9.075 1.496 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.267 8.276 0.204 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.578 8.639 2.289 1.00 0.00 C ATOM 0 H LEU A 19 1.916 8.648 4.538 1.00 0.00 H new ATOM 0 HA LEU A 19 2.218 10.590 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.719 8.623 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.751 8.065 3.016 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.470 10.130 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.179 8.412 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.588 8.624 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.141 7.219 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.474 8.767 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.474 7.590 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.661 9.246 3.191 1.00 0.00 H new ATOM 321 N HIS A 20 -0.766 10.951 4.020 1.00 0.00 N ATOM 322 CA HIS A 20 -1.873 11.899 4.154 1.00 0.00 C ATOM 323 C HIS A 20 -1.397 13.317 4.465 1.00 0.00 C ATOM 324 O HIS A 20 -1.998 14.291 4.013 1.00 0.00 O ATOM 325 CB HIS A 20 -2.830 11.451 5.265 1.00 0.00 C ATOM 326 CG HIS A 20 -3.607 10.203 4.974 1.00 0.00 C ATOM 327 ND1 HIS A 20 -3.222 8.906 4.928 1.00 0.00 N flip ATOM 328 CD2 HIS A 20 -4.965 10.206 4.740 1.00 0.00 C flip ATOM 329 CE1 HIS A 20 -4.346 8.159 4.674 1.00 0.00 C flip ATOM 330 NE2 HIS A 20 -5.384 8.966 4.566 1.00 0.00 N flip ATOM 0 H HIS A 20 -0.868 10.103 4.577 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.384 11.913 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.255 11.297 6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.533 12.259 5.464 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.275 8.550 5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.590 11.086 4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.375 7.084 4.578 1.00 0.00 H new ATOM 339 N LYS A 21 -0.350 13.433 5.271 1.00 0.00 N ATOM 340 CA LYS A 21 0.154 14.743 5.675 1.00 0.00 C ATOM 341 C LYS A 21 1.284 15.249 4.791 1.00 0.00 C ATOM 342 O LYS A 21 1.906 16.265 5.104 1.00 0.00 O ATOM 343 CB LYS A 21 0.627 14.684 7.124 1.00 0.00 C ATOM 344 CG LYS A 21 -0.268 13.834 8.002 1.00 0.00 C ATOM 345 CD LYS A 21 -1.630 14.491 8.202 1.00 0.00 C ATOM 346 CE LYS A 21 -2.585 14.188 7.053 1.00 0.00 C ATOM 347 NZ LYS A 21 -4.009 14.270 7.481 1.00 0.00 N ATOM 0 H LYS A 21 0.166 12.642 5.657 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.672 15.446 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.641 14.286 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.670 15.695 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.398 12.851 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.209 13.678 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.067 14.142 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.502 15.570 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.409 14.891 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.380 13.191 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.565 14.754 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.384 13.311 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.074 14.803 8.372 1.00 0.00 H new ATOM 361 N ASN A 22 1.559 14.560 3.693 1.00 0.00 N ATOM 362 CA ASN A 22 2.627 14.994 2.807 1.00 0.00 C ATOM 363 C ASN A 22 2.402 14.560 1.363 1.00 0.00 C ATOM 364 O ASN A 22 3.293 14.705 0.528 1.00 0.00 O ATOM 365 CB ASN A 22 3.971 14.477 3.316 1.00 0.00 C ATOM 366 CG ASN A 22 4.301 15.017 4.694 1.00 0.00 C ATOM 367 OD1 ASN A 22 4.248 14.292 5.687 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.638 16.300 4.763 1.00 0.00 N ATOM 0 H ASN A 22 1.069 13.715 3.399 1.00 0.00 H new ATOM 0 HA ASN A 22 2.630 16.084 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.952 13.388 3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.757 14.762 2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.865 16.720 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.669 16.865 3.915 1.00 0.00 H new ATOM 375 N TRP A 23 1.211 14.048 1.053 1.00 0.00 N ATOM 376 CA TRP A 23 0.923 13.638 -0.311 1.00 0.00 C ATOM 377 C TRP A 23 0.686 14.877 -1.173 1.00 0.00 C ATOM 378 O TRP A 23 1.064 14.917 -2.342 1.00 0.00 O ATOM 379 CB TRP A 23 -0.265 12.656 -0.357 1.00 0.00 C ATOM 380 CG TRP A 23 -1.587 13.279 -0.669 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.652 13.390 0.162 1.00 0.00 C ATOM 382 CD2 TRP A 23 -1.986 13.841 -1.910 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.685 14.029 -0.467 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.301 14.314 -1.755 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.349 14.000 -3.132 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -3.989 14.938 -2.792 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.023 14.611 -4.157 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.334 15.077 -3.988 1.00 0.00 C ATOM 0 H TRP A 23 0.448 13.911 1.716 1.00 0.00 H new ATOM 0 HA TRP A 23 1.780 13.100 -0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.056 11.890 -1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.337 12.150 0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.681 13.025 1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.588 14.256 -0.050 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.338 13.648 -3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -4.999 15.298 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.535 14.736 -5.112 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -3.837 15.555 -4.816 1.00 0.00 H new ATOM 399 N HIS A 24 0.084 15.899 -0.570 1.00 0.00 N ATOM 400 CA HIS A 24 -0.185 17.155 -1.264 1.00 0.00 C ATOM 401 C HIS A 24 -0.846 18.159 -0.324 1.00 0.00 C ATOM 402 O HIS A 24 -0.405 19.301 -0.208 1.00 0.00 O ATOM 403 CB HIS A 24 -1.071 16.912 -2.485 1.00 0.00 C ATOM 404 CG HIS A 24 -1.480 18.166 -3.196 1.00 0.00 C ATOM 405 ND1 HIS A 24 -0.589 18.970 -3.876 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.693 18.755 -3.330 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.236 19.998 -4.397 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.513 19.891 -4.080 1.00 0.00 N ATOM 0 H HIS A 24 -0.228 15.881 0.401 1.00 0.00 H new ATOM 0 HA HIS A 24 0.766 17.570 -1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.540 16.266 -3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.966 16.375 -2.171 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.627 18.398 -2.923 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.795 20.791 -4.983 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.247 20.546 -4.349 1.00 0.00 H new ATOM 417 N GLY A 25 -1.903 17.723 0.348 1.00 0.00 N ATOM 418 CA GLY A 25 -2.605 18.591 1.273 1.00 0.00 C ATOM 419 C GLY A 25 -2.833 17.926 2.614 1.00 0.00 C ATOM 420 O GLY A 25 -1.983 17.996 3.503 1.00 0.00 O ATOM 0 H GLY A 25 -2.288 16.782 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.032 19.507 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.565 18.878 0.843 1.00 0.00 H new ATOM 424 N GLY A 26 -3.977 17.270 2.757 1.00 0.00 N ATOM 425 CA GLY A 26 -4.292 16.588 3.992 1.00 0.00 C ATOM 426 C GLY A 26 -4.878 15.216 3.742 1.00 0.00 C ATOM 427 O GLY A 26 -4.467 14.516 2.817 1.00 0.00 O ATOM 0 H GLY A 26 -4.694 17.199 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.389 16.493 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.999 17.186 4.567 1.00 0.00 H new ATOM 431 N LYS A 27 -5.843 14.833 4.562 1.00 0.00 N ATOM 432 CA LYS A 27 -6.493 13.537 4.421 1.00 0.00 C ATOM 433 C LYS A 27 -7.758 13.645 3.571 1.00 0.00 C ATOM 434 O LYS A 27 -8.257 12.643 3.060 1.00 0.00 O ATOM 435 CB LYS A 27 -6.821 12.953 5.797 1.00 0.00 C ATOM 436 CG LYS A 27 -7.822 11.807 5.755 1.00 0.00 C ATOM 437 CD LYS A 27 -8.076 11.234 7.142 1.00 0.00 C ATOM 438 CE LYS A 27 -7.847 9.731 7.179 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.658 9.020 6.152 1.00 0.00 N ATOM 0 H LYS A 27 -6.195 15.400 5.333 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.802 12.866 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.900 12.601 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.216 13.745 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.761 12.159 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.449 11.021 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.419 11.720 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.100 11.454 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.790 9.521 7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.099 9.350 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.620 7.996 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.645 9.344 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.276 9.223 5.206 1.00 0.00 H new ATOM 453 N ASP A 28 -8.278 14.861 3.424 1.00 0.00 N ATOM 454 CA ASP A 28 -9.485 15.083 2.637 1.00 0.00 C ATOM 455 C ASP A 28 -9.327 14.523 1.228 1.00 0.00 C ATOM 456 O ASP A 28 -10.123 13.694 0.786 1.00 0.00 O ATOM 457 CB ASP A 28 -9.810 16.576 2.571 1.00 0.00 C ATOM 458 CG ASP A 28 -10.019 17.184 3.944 1.00 0.00 C ATOM 459 OD1 ASP A 28 -11.105 16.977 4.527 1.00 0.00 O ATOM 460 OD2 ASP A 28 -9.098 17.868 4.437 1.00 0.00 O ATOM 0 H ASP A 28 -7.883 15.705 3.839 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.307 14.561 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.999 17.099 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.708 16.723 1.971 1.00 0.00 H new ATOM 465 N ASN A 29 -8.295 14.978 0.528 1.00 0.00 N ATOM 466 CA ASN A 29 -8.031 14.517 -0.829 1.00 0.00 C ATOM 467 C ASN A 29 -7.330 13.160 -0.820 1.00 0.00 C ATOM 468 O ASN A 29 -7.313 12.455 -1.829 1.00 0.00 O ATOM 469 CB ASN A 29 -7.185 15.541 -1.584 1.00 0.00 C ATOM 470 CG ASN A 29 -7.902 16.865 -1.761 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.971 16.929 -2.367 1.00 0.00 O ATOM 472 ND2 ASN A 29 -7.315 17.931 -1.231 1.00 0.00 N ATOM 0 H ASN A 29 -7.628 15.666 0.878 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.988 14.404 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.252 15.705 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.922 15.140 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.751 18.849 -1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.428 17.832 -0.737 1.00 0.00 H new ATOM 479 N LEU A 30 -6.760 12.792 0.327 1.00 0.00 N ATOM 480 CA LEU A 30 -6.072 11.514 0.461 1.00 0.00 C ATOM 481 C LEU A 30 -7.086 10.400 0.699 1.00 0.00 C ATOM 482 O LEU A 30 -6.885 9.261 0.284 1.00 0.00 O ATOM 483 CB LEU A 30 -5.069 11.579 1.621 1.00 0.00 C ATOM 484 CG LEU A 30 -3.991 10.484 1.652 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.610 9.108 1.754 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.074 10.565 0.440 1.00 0.00 C ATOM 0 H LEU A 30 -6.762 13.361 1.173 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.529 11.302 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.571 12.548 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.626 11.538 2.557 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.387 10.655 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.822 8.355 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.199 9.041 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.256 8.935 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.325 9.775 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.662 10.443 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.578 11.535 0.424 1.00 0.00 H new ATOM 498 N HIS A 31 -8.184 10.738 1.368 1.00 0.00 N ATOM 499 CA HIS A 31 -9.232 9.765 1.660 1.00 0.00 C ATOM 500 C HIS A 31 -9.664 9.026 0.396 1.00 0.00 C ATOM 501 O HIS A 31 -9.962 7.834 0.436 1.00 0.00 O ATOM 502 CB HIS A 31 -10.437 10.461 2.298 1.00 0.00 C ATOM 503 CG HIS A 31 -10.967 9.753 3.505 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.956 8.380 3.639 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.527 10.234 4.640 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.486 8.048 4.803 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.839 9.154 5.430 1.00 0.00 N ATOM 0 H HIS A 31 -8.371 11.678 1.718 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.828 9.034 2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.154 11.476 2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.232 10.544 1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.697 11.273 4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.609 7.043 5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.273 9.200 6.352 1.00 0.00 H new ATOM 516 N ASP A 32 -9.699 9.743 -0.722 1.00 0.00 N ATOM 517 CA ASP A 32 -10.100 9.152 -1.993 1.00 0.00 C ATOM 518 C ASP A 32 -8.985 8.297 -2.589 1.00 0.00 C ATOM 519 O ASP A 32 -9.244 7.381 -3.369 1.00 0.00 O ATOM 520 CB ASP A 32 -10.504 10.247 -2.983 1.00 0.00 C ATOM 521 CG ASP A 32 -11.982 10.576 -2.911 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.558 10.477 -1.806 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.563 10.931 -3.956 1.00 0.00 O ATOM 0 H ASP A 32 -9.455 10.732 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.956 8.505 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.924 11.147 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.255 9.928 -3.995 1.00 0.00 H new ATOM 528 N VAL A 33 -7.746 8.602 -2.223 1.00 0.00 N ATOM 529 CA VAL A 33 -6.598 7.861 -2.729 1.00 0.00 C ATOM 530 C VAL A 33 -6.261 6.681 -1.818 1.00 0.00 C ATOM 531 O VAL A 33 -5.991 5.580 -2.295 1.00 0.00 O ATOM 532 CB VAL A 33 -5.375 8.793 -2.901 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.599 8.965 -1.609 1.00 0.00 C ATOM 534 CG2 VAL A 33 -4.458 8.300 -4.004 1.00 0.00 C ATOM 0 H VAL A 33 -7.511 9.357 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.861 7.462 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.766 9.770 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.750 9.627 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.249 9.397 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.239 7.994 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.608 8.976 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.100 7.300 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.006 8.269 -4.946 1.00 0.00 H new ATOM 544 N ASP A 34 -6.299 6.908 -0.506 1.00 0.00 N ATOM 545 CA ASP A 34 -6.014 5.849 0.457 1.00 0.00 C ATOM 546 C ASP A 34 -7.174 4.863 0.512 1.00 0.00 C ATOM 547 O ASP A 34 -6.971 3.670 0.733 1.00 0.00 O ATOM 548 CB ASP A 34 -5.729 6.433 1.848 1.00 0.00 C ATOM 549 CG ASP A 34 -6.034 5.466 2.979 1.00 0.00 C ATOM 550 OD1 ASP A 34 -5.730 4.264 2.830 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.577 5.913 4.011 1.00 0.00 O ATOM 0 H ASP A 34 -6.523 7.811 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.120 5.317 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.681 6.727 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.322 7.338 1.983 1.00 0.00 H new ATOM 556 N ASN A 35 -8.392 5.357 0.289 1.00 0.00 N ATOM 557 CA ASN A 35 -9.564 4.488 0.293 1.00 0.00 C ATOM 558 C ASN A 35 -9.318 3.311 -0.643 1.00 0.00 C ATOM 559 O ASN A 35 -9.823 2.208 -0.430 1.00 0.00 O ATOM 560 CB ASN A 35 -10.815 5.261 -0.134 1.00 0.00 C ATOM 561 CG ASN A 35 -12.020 4.359 -0.331 1.00 0.00 C ATOM 562 OD1 ASN A 35 -12.568 4.266 -1.430 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.439 3.689 0.736 1.00 0.00 N ATOM 0 H ASN A 35 -8.590 6.341 0.106 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.731 4.118 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.048 6.013 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.609 5.794 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.245 3.068 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.955 3.796 1.628 1.00 0.00 H new ATOM 570 N HIS A 36 -8.509 3.559 -1.669 1.00 0.00 N ATOM 571 CA HIS A 36 -8.150 2.535 -2.634 1.00 0.00 C ATOM 572 C HIS A 36 -7.184 1.549 -1.990 1.00 0.00 C ATOM 573 O HIS A 36 -7.239 0.346 -2.241 1.00 0.00 O ATOM 574 CB HIS A 36 -7.506 3.179 -3.867 1.00 0.00 C ATOM 575 CG HIS A 36 -8.441 3.319 -5.028 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.063 3.078 -6.333 1.00 0.00 N ATOM 577 CD2 HIS A 36 -9.746 3.679 -5.076 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.095 3.285 -7.132 1.00 0.00 C ATOM 579 NE2 HIS A 36 -10.127 3.649 -6.395 1.00 0.00 N ATOM 0 H HIS A 36 -8.088 4.470 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.048 2.003 -2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.127 4.164 -3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.648 2.581 -4.173 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.133 2.786 -6.634 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.370 3.941 -4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.094 3.175 -8.206 1.00 0.00 H new ATOM 588 N LEU A 37 -6.311 2.082 -1.142 1.00 0.00 N ATOM 589 CA LEU A 37 -5.329 1.280 -0.429 1.00 0.00 C ATOM 590 C LEU A 37 -6.017 0.384 0.593 1.00 0.00 C ATOM 591 O LEU A 37 -6.015 -0.839 0.467 1.00 0.00 O ATOM 592 CB LEU A 37 -4.328 2.193 0.280 1.00 0.00 C ATOM 593 CG LEU A 37 -2.992 1.554 0.671 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.113 0.042 0.817 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.922 1.909 -0.349 1.00 0.00 C ATOM 0 H LEU A 37 -6.266 3.079 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.802 0.654 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.124 3.046 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.799 2.583 1.182 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.702 1.954 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.145 -0.375 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.845 -0.191 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.436 -0.390 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.977 1.449 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.219 1.541 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.802 2.992 -0.388 1.00 0.00 H new ATOM 607 N GLN A 38 -6.602 1.010 1.612 1.00 0.00 N ATOM 608 CA GLN A 38 -7.298 0.284 2.670 1.00 0.00 C ATOM 609 C GLN A 38 -8.205 -0.802 2.094 1.00 0.00 C ATOM 610 O GLN A 38 -8.341 -1.878 2.675 1.00 0.00 O ATOM 611 CB GLN A 38 -8.122 1.250 3.524 1.00 0.00 C ATOM 612 CG GLN A 38 -8.851 0.573 4.673 1.00 0.00 C ATOM 613 CD GLN A 38 -9.695 1.540 5.480 1.00 0.00 C ATOM 614 OE1 GLN A 38 -9.731 2.738 5.196 1.00 0.00 O ATOM 615 NE2 GLN A 38 -10.383 1.024 6.492 1.00 0.00 N ATOM 0 H GLN A 38 -6.607 2.024 1.727 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.545 -0.196 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.463 2.020 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.850 1.754 2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.489 -0.218 4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.123 0.097 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.324 0.026 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.970 1.626 7.069 1.00 0.00 H new ATOM 624 N ASN A 39 -8.816 -0.519 0.946 1.00 0.00 N ATOM 625 CA ASN A 39 -9.699 -1.486 0.303 1.00 0.00 C ATOM 626 C ASN A 39 -8.907 -2.702 -0.160 1.00 0.00 C ATOM 627 O ASN A 39 -9.421 -3.820 -0.185 1.00 0.00 O ATOM 628 CB ASN A 39 -10.418 -0.843 -0.885 1.00 0.00 C ATOM 629 CG ASN A 39 -11.620 -1.648 -1.340 1.00 0.00 C ATOM 630 OD1 ASN A 39 -11.364 -2.783 -1.980 1.00 0.00 O flip ATOM 631 ND2 ASN A 39 -12.765 -1.254 -1.117 1.00 0.00 N flip ATOM 0 H ASN A 39 -8.717 0.365 0.446 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.444 -1.810 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.740 0.162 -0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.719 -0.738 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.914 -0.375 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.564 -1.807 -1.428 1.00 0.00 H new ATOM 638 N VAL A 40 -7.649 -2.473 -0.515 1.00 0.00 N ATOM 639 CA VAL A 40 -6.773 -3.544 -0.967 1.00 0.00 C ATOM 640 C VAL A 40 -6.523 -4.547 0.152 1.00 0.00 C ATOM 641 O VAL A 40 -6.735 -5.744 -0.020 1.00 0.00 O ATOM 642 CB VAL A 40 -5.421 -2.988 -1.453 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.568 -4.093 -2.059 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.634 -1.862 -2.452 1.00 0.00 C ATOM 0 H VAL A 40 -7.212 -1.551 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.273 -4.043 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.889 -2.585 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.618 -3.677 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.382 -4.862 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.092 -4.533 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.668 -1.482 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.190 -2.238 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.197 -1.057 -1.979 1.00 0.00 H new ATOM 654 N ILE A 41 -6.067 -4.045 1.299 1.00 0.00 N ATOM 655 CA ILE A 41 -5.777 -4.889 2.460 1.00 0.00 C ATOM 656 C ILE A 41 -6.798 -6.016 2.616 1.00 0.00 C ATOM 657 O ILE A 41 -6.436 -7.155 2.901 1.00 0.00 O ATOM 658 CB ILE A 41 -5.731 -4.059 3.761 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.775 -2.874 3.610 1.00 0.00 C ATOM 660 CG2 ILE A 41 -5.313 -4.928 4.939 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.377 -3.271 3.185 1.00 0.00 C ATOM 0 H ILE A 41 -5.889 -3.052 1.450 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.797 -5.331 2.282 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.732 -3.674 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.185 -2.179 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.719 -2.340 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.287 -4.324 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.029 -5.740 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.323 -5.344 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.756 -2.379 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.947 -3.942 3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.420 -3.778 2.221 1.00 0.00 H new ATOM 673 N GLU A 42 -8.073 -5.698 2.421 1.00 0.00 N ATOM 674 CA GLU A 42 -9.126 -6.703 2.538 1.00 0.00 C ATOM 675 C GLU A 42 -9.072 -7.666 1.364 1.00 0.00 C ATOM 676 O GLU A 42 -9.257 -8.872 1.529 1.00 0.00 O ATOM 677 CB GLU A 42 -10.499 -6.033 2.609 1.00 0.00 C ATOM 678 CG GLU A 42 -10.571 -4.903 3.623 1.00 0.00 C ATOM 679 CD GLU A 42 -10.567 -5.402 5.055 1.00 0.00 C ATOM 680 OE1 GLU A 42 -9.465 -5.622 5.602 1.00 0.00 O ATOM 681 OE2 GLU A 42 -11.662 -5.571 5.628 1.00 0.00 O ATOM 0 H GLU A 42 -8.402 -4.762 2.183 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.965 -7.265 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.756 -5.643 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.248 -6.784 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.725 -4.232 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.475 -4.320 3.448 1.00 0.00 H new ATOM 688 N ASP A 43 -8.807 -7.131 0.182 1.00 0.00 N ATOM 689 CA ASP A 43 -8.716 -7.950 -1.014 1.00 0.00 C ATOM 690 C ASP A 43 -7.445 -8.789 -0.992 1.00 0.00 C ATOM 691 O ASP A 43 -7.404 -9.876 -1.560 1.00 0.00 O ATOM 692 CB ASP A 43 -8.750 -7.074 -2.267 1.00 0.00 C ATOM 693 CG ASP A 43 -10.151 -6.916 -2.825 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.851 -5.969 -2.411 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.548 -7.741 -3.674 1.00 0.00 O ATOM 0 H ASP A 43 -8.652 -6.135 0.027 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.575 -8.621 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.343 -6.091 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.105 -7.511 -3.030 1.00 0.00 H new ATOM 700 N ILE A 44 -6.411 -8.284 -0.325 1.00 0.00 N ATOM 701 CA ILE A 44 -5.146 -9.003 -0.225 1.00 0.00 C ATOM 702 C ILE A 44 -5.165 -9.965 0.959 1.00 0.00 C ATOM 703 O ILE A 44 -4.671 -11.087 0.868 1.00 0.00 O ATOM 704 CB ILE A 44 -3.948 -8.044 -0.063 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.084 -6.834 -0.991 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.638 -8.770 -0.329 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.883 -7.156 -2.457 1.00 0.00 C ATOM 0 H ILE A 44 -6.424 -7.383 0.153 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.027 -9.557 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.943 -7.686 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.074 -6.397 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.358 -6.077 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.806 -8.076 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.528 -9.593 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.640 -9.163 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.995 -6.247 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.883 -7.564 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.625 -7.889 -2.774 1.00 0.00 H new ATOM 719 N HIS A 45 -5.737 -9.514 2.074 1.00 0.00 N ATOM 720 CA HIS A 45 -5.814 -10.332 3.281 1.00 0.00 C ATOM 721 C HIS A 45 -6.854 -11.431 3.139 1.00 0.00 C ATOM 722 O HIS A 45 -6.640 -12.559 3.582 1.00 0.00 O ATOM 723 CB HIS A 45 -6.133 -9.463 4.497 1.00 0.00 C ATOM 724 CG HIS A 45 -5.040 -8.500 4.817 1.00 0.00 C ATOM 725 ND1 HIS A 45 -4.793 -8.026 6.087 1.00 0.00 N ATOM 726 CD2 HIS A 45 -4.119 -7.924 4.015 1.00 0.00 C ATOM 727 CE1 HIS A 45 -3.767 -7.195 6.051 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.337 -7.115 4.803 1.00 0.00 N ATOM 0 H HIS A 45 -6.153 -8.587 2.166 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.841 -10.802 3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.055 -8.912 4.313 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.311 -10.104 5.360 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.320 -8.277 6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.016 -8.072 2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.350 -6.670 6.897 1.00 0.00 H new ATOM 737 N ASP A 46 -7.975 -11.109 2.509 1.00 0.00 N ATOM 738 CA ASP A 46 -9.023 -12.096 2.306 1.00 0.00 C ATOM 739 C ASP A 46 -8.610 -13.071 1.214 1.00 0.00 C ATOM 740 O ASP A 46 -9.065 -14.214 1.181 1.00 0.00 O ATOM 741 CB ASP A 46 -10.340 -11.413 1.935 1.00 0.00 C ATOM 742 CG ASP A 46 -10.853 -10.506 3.036 1.00 0.00 C ATOM 743 OD1 ASP A 46 -10.020 -9.874 3.720 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.086 -10.428 3.215 1.00 0.00 O ATOM 0 H ASP A 46 -8.180 -10.183 2.134 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.172 -12.645 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.200 -10.830 1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.090 -12.173 1.715 1.00 0.00 H new ATOM 749 N PHE A 47 -7.745 -12.606 0.315 1.00 0.00 N ATOM 750 CA PHE A 47 -7.272 -13.439 -0.787 1.00 0.00 C ATOM 751 C PHE A 47 -6.028 -14.243 -0.404 1.00 0.00 C ATOM 752 O PHE A 47 -5.945 -15.436 -0.687 1.00 0.00 O ATOM 753 CB PHE A 47 -6.984 -12.584 -2.020 1.00 0.00 C ATOM 754 CG PHE A 47 -8.225 -12.134 -2.747 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.355 -11.730 -2.048 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.259 -12.114 -4.131 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.491 -11.317 -2.719 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.393 -11.703 -4.806 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.510 -11.303 -4.100 1.00 0.00 C ATOM 0 H PHE A 47 -7.359 -11.662 0.328 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.067 -14.148 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.412 -11.707 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.357 -13.152 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.346 -11.739 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.388 -12.423 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.363 -11.005 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.405 -11.695 -5.886 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.396 -10.980 -4.626 1.00 0.00 H new ATOM 769 N MET A 48 -5.057 -13.581 0.229 1.00 0.00 N ATOM 770 CA MET A 48 -3.815 -14.243 0.636 1.00 0.00 C ATOM 771 C MET A 48 -4.094 -15.579 1.320 1.00 0.00 C ATOM 772 O MET A 48 -3.308 -16.520 1.211 1.00 0.00 O ATOM 773 CB MET A 48 -3.004 -13.339 1.567 1.00 0.00 C ATOM 774 CG MET A 48 -3.618 -13.159 2.946 1.00 0.00 C ATOM 775 SD MET A 48 -2.653 -12.057 3.999 1.00 0.00 S ATOM 776 CE MET A 48 -0.986 -12.528 3.548 1.00 0.00 C ATOM 0 H MET A 48 -5.106 -12.591 0.470 1.00 0.00 H new ATOM 0 HA MET A 48 -3.235 -14.437 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.003 -13.755 1.678 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.893 -12.360 1.100 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.628 -12.762 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.707 -14.132 3.430 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.302 -12.264 4.355 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.946 -13.603 3.375 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.693 -12.003 2.639 1.00 0.00 H new ATOM 786 N GLN A 49 -5.218 -15.655 2.025 1.00 0.00 N ATOM 787 CA GLN A 49 -5.596 -16.876 2.727 1.00 0.00 C ATOM 788 C GLN A 49 -5.928 -17.998 1.746 1.00 0.00 C ATOM 789 O GLN A 49 -5.794 -19.177 2.071 1.00 0.00 O ATOM 790 CB GLN A 49 -6.791 -16.609 3.646 1.00 0.00 C ATOM 791 CG GLN A 49 -6.481 -16.818 5.119 1.00 0.00 C ATOM 792 CD GLN A 49 -6.363 -18.284 5.487 1.00 0.00 C ATOM 793 OE1 GLN A 49 -5.645 -19.044 4.837 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.069 -18.690 6.536 1.00 0.00 N ATOM 0 H GLN A 49 -5.882 -14.887 2.125 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.746 -17.195 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.133 -15.585 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.613 -17.264 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.549 -16.309 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.265 -16.358 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.651 -18.026 7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.029 -19.666 6.831 1.00 0.00 H new ATOM 803 N GLY A 50 -6.360 -17.625 0.545 1.00 0.00 N ATOM 804 CA GLY A 50 -6.700 -18.617 -0.459 1.00 0.00 C ATOM 805 C GLY A 50 -7.845 -18.183 -1.359 1.00 0.00 C ATOM 806 O GLY A 50 -8.083 -18.793 -2.401 1.00 0.00 O ATOM 0 H GLY A 50 -6.480 -16.656 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.822 -18.822 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.968 -19.550 0.036 1.00 0.00 H new ATOM 810 N GLY A 51 -8.557 -17.132 -0.958 1.00 0.00 N ATOM 811 CA GLY A 51 -9.673 -16.645 -1.752 1.00 0.00 C ATOM 812 C GLY A 51 -9.315 -16.448 -3.214 1.00 0.00 C ATOM 813 O GLY A 51 -10.088 -16.803 -4.103 1.00 0.00 O ATOM 0 H GLY A 51 -8.382 -16.610 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.501 -17.350 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.022 -15.699 -1.338 1.00 0.00 H new ATOM 817 N GLY A 52 -8.139 -15.882 -3.462 1.00 0.00 N ATOM 818 CA GLY A 52 -7.701 -15.651 -4.826 1.00 0.00 C ATOM 819 C GLY A 52 -6.476 -14.760 -4.902 1.00 0.00 C ATOM 820 O GLY A 52 -6.368 -13.913 -5.789 1.00 0.00 O ATOM 0 H GLY A 52 -7.482 -15.579 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.480 -16.608 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.513 -15.195 -5.392 1.00 0.00 H new ATOM 824 N SER A 53 -5.549 -14.955 -3.971 1.00 0.00 N ATOM 825 CA SER A 53 -4.326 -14.164 -3.930 1.00 0.00 C ATOM 826 C SER A 53 -3.531 -14.317 -5.224 1.00 0.00 C ATOM 827 O SER A 53 -2.749 -13.440 -5.589 1.00 0.00 O ATOM 828 CB SER A 53 -3.469 -14.586 -2.734 1.00 0.00 C ATOM 829 OG SER A 53 -2.654 -15.699 -3.054 1.00 0.00 O ATOM 0 H SER A 53 -5.622 -15.656 -3.233 1.00 0.00 H new ATOM 0 HA SER A 53 -4.602 -13.115 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.842 -13.751 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.114 -14.835 -1.891 1.00 0.00 H new ATOM 0 HG SER A 53 -2.116 -15.946 -2.273 1.00 0.00 H new ATOM 835 N GLY A 54 -3.741 -15.431 -5.917 1.00 0.00 N ATOM 836 CA GLY A 54 -3.041 -15.669 -7.164 1.00 0.00 C ATOM 837 C GLY A 54 -3.787 -15.109 -8.358 1.00 0.00 C ATOM 838 O GLY A 54 -4.125 -15.842 -9.287 1.00 0.00 O ATOM 0 H GLY A 54 -4.383 -16.172 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.050 -15.218 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.897 -16.741 -7.298 1.00 0.00 H new ATOM 842 N GLY A 55 -4.047 -13.805 -8.332 1.00 0.00 N ATOM 843 CA GLY A 55 -4.758 -13.172 -9.426 1.00 0.00 C ATOM 844 C GLY A 55 -5.148 -11.738 -9.126 1.00 0.00 C ATOM 845 O GLY A 55 -5.275 -10.924 -10.040 1.00 0.00 O ATOM 0 H GLY A 55 -3.778 -13.177 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.134 -13.194 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.656 -13.748 -9.650 1.00 0.00 H new ATOM 849 N LYS A 56 -5.345 -11.422 -7.849 1.00 0.00 N ATOM 850 CA LYS A 56 -5.726 -10.070 -7.454 1.00 0.00 C ATOM 851 C LYS A 56 -4.494 -9.199 -7.230 1.00 0.00 C ATOM 852 O LYS A 56 -4.539 -7.991 -7.437 1.00 0.00 O ATOM 853 CB LYS A 56 -6.625 -10.107 -6.201 1.00 0.00 C ATOM 854 CG LYS A 56 -5.978 -9.593 -4.915 1.00 0.00 C ATOM 855 CD LYS A 56 -5.097 -10.649 -4.271 1.00 0.00 C ATOM 856 CE LYS A 56 -3.803 -10.060 -3.740 1.00 0.00 C ATOM 857 NZ LYS A 56 -2.786 -11.112 -3.467 1.00 0.00 N ATOM 0 H LYS A 56 -5.248 -12.079 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.299 -9.622 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.520 -9.517 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.951 -11.134 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.383 -8.707 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.754 -9.289 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.640 -11.127 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.870 -11.426 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.404 -9.348 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.006 -9.504 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.833 -10.701 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.929 -11.493 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.884 -11.879 -4.163 1.00 0.00 H new ATOM 871 N LEU A 57 -3.395 -9.813 -6.812 1.00 0.00 N ATOM 872 CA LEU A 57 -2.164 -9.069 -6.568 1.00 0.00 C ATOM 873 C LEU A 57 -1.654 -8.395 -7.838 1.00 0.00 C ATOM 874 O LEU A 57 -0.746 -7.574 -7.779 1.00 0.00 O ATOM 875 CB LEU A 57 -1.081 -9.982 -5.999 1.00 0.00 C ATOM 876 CG LEU A 57 0.007 -9.270 -5.192 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.584 -8.616 -3.951 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.107 -10.246 -4.809 1.00 0.00 C ATOM 0 H LEU A 57 -3.329 -10.815 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.397 -8.294 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.555 -10.729 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.609 -10.518 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 57 0.440 -8.488 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.207 -8.116 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.337 -7.886 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.046 -9.378 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.873 -9.724 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.686 -11.050 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.552 -10.665 -5.711 1.00 0.00 H new ATOM 890 N GLN A 58 -2.227 -8.739 -8.987 1.00 0.00 N ATOM 891 CA GLN A 58 -1.799 -8.138 -10.241 1.00 0.00 C ATOM 892 C GLN A 58 -2.528 -6.821 -10.487 1.00 0.00 C ATOM 893 O GLN A 58 -1.905 -5.799 -10.773 1.00 0.00 O ATOM 894 CB GLN A 58 -2.014 -9.109 -11.411 1.00 0.00 C ATOM 895 CG GLN A 58 -3.451 -9.178 -11.908 1.00 0.00 C ATOM 896 CD GLN A 58 -3.654 -10.248 -12.963 1.00 0.00 C ATOM 897 OE1 GLN A 58 -3.411 -11.430 -12.720 1.00 0.00 O ATOM 898 NE2 GLN A 58 -4.102 -9.838 -14.143 1.00 0.00 N ATOM 0 H GLN A 58 -2.979 -9.422 -9.074 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.732 -7.925 -10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.369 -8.812 -12.238 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.699 -10.106 -11.103 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.114 -9.374 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.736 -8.209 -12.319 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.290 -8.848 -14.301 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.258 -10.513 -14.892 1.00 0.00 H new ATOM 907 N GLU A 59 -3.850 -6.847 -10.361 1.00 0.00 N ATOM 908 CA GLU A 59 -4.657 -5.649 -10.557 1.00 0.00 C ATOM 909 C GLU A 59 -4.770 -4.870 -9.255 1.00 0.00 C ATOM 910 O GLU A 59 -4.828 -3.640 -9.252 1.00 0.00 O ATOM 911 CB GLU A 59 -6.048 -6.017 -11.075 1.00 0.00 C ATOM 912 CG GLU A 59 -6.161 -5.981 -12.591 1.00 0.00 C ATOM 913 CD GLU A 59 -5.914 -4.598 -13.162 1.00 0.00 C ATOM 914 OE1 GLU A 59 -6.735 -3.693 -12.903 1.00 0.00 O ATOM 915 OE2 GLU A 59 -4.901 -4.421 -13.871 1.00 0.00 O ATOM 0 H GLU A 59 -4.385 -7.683 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.166 -5.021 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.305 -7.016 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.779 -5.331 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.445 -6.681 -13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.154 -6.320 -12.886 1.00 0.00 H new ATOM 922 N MET A 60 -4.801 -5.603 -8.148 1.00 0.00 N ATOM 923 CA MET A 60 -4.905 -4.996 -6.831 1.00 0.00 C ATOM 924 C MET A 60 -3.580 -4.364 -6.419 1.00 0.00 C ATOM 925 O MET A 60 -3.559 -3.409 -5.642 1.00 0.00 O ATOM 926 CB MET A 60 -5.337 -6.038 -5.798 1.00 0.00 C ATOM 927 CG MET A 60 -6.102 -5.453 -4.624 1.00 0.00 C ATOM 928 SD MET A 60 -7.871 -5.318 -4.948 1.00 0.00 S ATOM 929 CE MET A 60 -8.032 -3.554 -5.209 1.00 0.00 C ATOM 0 H MET A 60 -4.755 -6.622 -8.139 1.00 0.00 H new ATOM 0 HA MET A 60 -5.660 -4.211 -6.877 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.959 -6.787 -6.289 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.453 -6.554 -5.423 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.944 -6.077 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.703 -4.466 -4.390 1.00 0.00 H new ATOM 0 HE1 MET A 60 -8.905 -3.356 -5.831 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.150 -3.053 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.139 -3.177 -5.707 1.00 0.00 H new ATOM 939 N MET A 61 -2.470 -4.888 -6.944 1.00 0.00 N ATOM 940 CA MET A 61 -1.159 -4.341 -6.610 1.00 0.00 C ATOM 941 C MET A 61 -1.097 -2.864 -6.990 1.00 0.00 C ATOM 942 O MET A 61 -0.669 -2.024 -6.199 1.00 0.00 O ATOM 943 CB MET A 61 -0.043 -5.120 -7.317 1.00 0.00 C ATOM 944 CG MET A 61 1.248 -4.336 -7.504 1.00 0.00 C ATOM 945 SD MET A 61 2.718 -5.368 -7.343 1.00 0.00 S ATOM 946 CE MET A 61 2.426 -6.578 -8.631 1.00 0.00 C ATOM 0 H MET A 61 -2.454 -5.677 -7.591 1.00 0.00 H new ATOM 0 HA MET A 61 -1.010 -4.438 -5.535 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.173 -6.022 -6.744 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.404 -5.442 -8.294 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.244 -3.867 -8.488 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.290 -3.533 -6.768 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.205 -7.545 -8.179 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.581 -6.262 -9.242 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.314 -6.664 -9.257 1.00 0.00 H new ATOM 956 N LYS A 62 -1.535 -2.554 -8.205 1.00 0.00 N ATOM 957 CA LYS A 62 -1.537 -1.178 -8.681 1.00 0.00 C ATOM 958 C LYS A 62 -2.449 -0.314 -7.815 1.00 0.00 C ATOM 959 O LYS A 62 -2.275 0.901 -7.732 1.00 0.00 O ATOM 960 CB LYS A 62 -1.992 -1.120 -10.141 1.00 0.00 C ATOM 961 CG LYS A 62 -1.194 -0.141 -10.989 1.00 0.00 C ATOM 962 CD LYS A 62 -1.598 -0.217 -12.452 1.00 0.00 C ATOM 963 CE LYS A 62 -0.422 0.080 -13.370 1.00 0.00 C ATOM 964 NZ LYS A 62 0.241 -1.167 -13.845 1.00 0.00 N ATOM 0 H LYS A 62 -1.892 -3.235 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.521 -0.790 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.912 -2.115 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.045 -0.842 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.349 0.873 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.130 -0.357 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.991 -1.210 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.401 0.494 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.768 0.657 -14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.304 0.698 -12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.037 -0.921 -14.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.594 -1.705 -13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.444 -1.746 -14.371 1.00 0.00 H new ATOM 978 N GLU A 63 -3.422 -0.952 -7.171 1.00 0.00 N ATOM 979 CA GLU A 63 -4.364 -0.249 -6.311 1.00 0.00 C ATOM 980 C GLU A 63 -3.675 0.299 -5.065 1.00 0.00 C ATOM 981 O GLU A 63 -4.060 1.346 -4.543 1.00 0.00 O ATOM 982 CB GLU A 63 -5.510 -1.178 -5.911 1.00 0.00 C ATOM 983 CG GLU A 63 -6.689 -0.451 -5.288 1.00 0.00 C ATOM 984 CD GLU A 63 -7.760 -0.100 -6.301 1.00 0.00 C ATOM 985 OE1 GLU A 63 -7.479 0.714 -7.205 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.881 -0.642 -6.192 1.00 0.00 O ATOM 0 H GLU A 63 -3.578 -1.958 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.766 0.594 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.852 -1.720 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.136 -1.920 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.124 -1.075 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.336 0.461 -4.808 1.00 0.00 H new ATOM 993 N PHE A 64 -2.655 -0.409 -4.588 1.00 0.00 N ATOM 994 CA PHE A 64 -1.920 0.017 -3.402 1.00 0.00 C ATOM 995 C PHE A 64 -0.796 0.974 -3.785 1.00 0.00 C ATOM 996 O PHE A 64 -0.462 1.890 -3.033 1.00 0.00 O ATOM 997 CB PHE A 64 -1.374 -1.208 -2.641 1.00 0.00 C ATOM 998 CG PHE A 64 -0.093 -1.778 -3.192 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.096 -1.065 -3.129 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.084 -3.034 -3.771 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.266 -1.598 -3.635 1.00 0.00 C ATOM 1002 CE2 PHE A 64 1.082 -3.571 -4.280 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.258 -2.852 -4.213 1.00 0.00 C ATOM 0 H PHE A 64 -2.320 -1.278 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.602 0.550 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.212 -0.928 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.134 -1.989 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.107 -0.083 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.001 -3.602 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.186 -1.035 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.074 -4.553 -4.730 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.171 -3.269 -4.612 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.219 0.752 -4.959 1.00 0.00 N ATOM 1014 CA GLN A 65 0.868 1.591 -5.450 1.00 0.00 C ATOM 1015 C GLN A 65 0.329 2.881 -6.064 1.00 0.00 C ATOM 1016 O GLN A 65 0.971 3.928 -5.988 1.00 0.00 O ATOM 1017 CB GLN A 65 1.699 0.827 -6.484 1.00 0.00 C ATOM 1018 CG GLN A 65 3.090 1.404 -6.689 1.00 0.00 C ATOM 1019 CD GLN A 65 3.992 0.481 -7.485 1.00 0.00 C ATOM 1020 OE1 GLN A 65 4.529 0.862 -8.525 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.164 -0.743 -6.998 1.00 0.00 N ATOM 0 H GLN A 65 -0.486 -0.003 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 65 1.503 1.853 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.788 -0.213 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.170 0.828 -7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.010 2.361 -7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.544 1.602 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.700 -1.017 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.760 -1.408 -7.490 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.852 2.799 -6.671 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.470 3.966 -7.292 1.00 0.00 C ATOM 1032 C GLN A 66 -1.700 5.068 -6.263 1.00 0.00 C ATOM 1033 O GLN A 66 -1.614 6.255 -6.580 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.794 3.583 -7.959 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.513 4.757 -8.605 1.00 0.00 C ATOM 1036 CD GLN A 66 -3.616 4.622 -10.113 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -4.650 4.928 -10.706 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -2.539 4.162 -10.741 1.00 0.00 N ATOM 0 H GLN A 66 -1.398 1.941 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.790 4.342 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.603 2.823 -8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.449 3.132 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.514 4.842 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.985 5.679 -8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.703 3.920 -10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.549 4.050 -11.755 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.983 4.668 -5.027 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.216 5.623 -3.949 1.00 0.00 C ATOM 1049 C VAL A 67 -1.001 6.526 -3.761 1.00 0.00 C ATOM 1050 O VAL A 67 -1.132 7.742 -3.623 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.530 4.898 -2.624 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.674 5.889 -1.476 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.786 4.051 -2.770 1.00 0.00 C ATOM 0 H VAL A 67 -2.056 3.690 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.076 6.232 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.694 4.240 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.895 5.349 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.744 6.445 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.486 6.583 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.995 3.545 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.628 4.691 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.635 3.309 -3.554 1.00 0.00 H new ATOM 1063 N LEU A 68 0.181 5.922 -3.775 1.00 0.00 N ATOM 1064 CA LEU A 68 1.421 6.671 -3.624 1.00 0.00 C ATOM 1065 C LEU A 68 1.734 7.463 -4.893 1.00 0.00 C ATOM 1066 O LEU A 68 2.661 8.270 -4.914 1.00 0.00 O ATOM 1067 CB LEU A 68 2.563 5.724 -3.272 1.00 0.00 C ATOM 1068 CG LEU A 68 2.675 5.416 -1.776 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.050 4.065 -1.454 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.129 5.459 -1.329 1.00 0.00 C ATOM 0 H LEU A 68 0.306 4.916 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 68 1.302 7.386 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.428 4.789 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.502 6.159 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 68 2.126 6.181 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.141 3.867 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.996 4.076 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.565 3.283 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.189 5.238 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.703 4.719 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.538 6.452 -1.517 1.00 0.00 H new ATOM 1082 N ASP A 69 0.936 7.250 -5.942 1.00 0.00 N ATOM 1083 CA ASP A 69 1.116 7.974 -7.193 1.00 0.00 C ATOM 1084 C ASP A 69 0.651 9.412 -7.008 1.00 0.00 C ATOM 1085 O ASP A 69 1.409 10.355 -7.232 1.00 0.00 O ATOM 1086 CB ASP A 69 0.333 7.304 -8.324 1.00 0.00 C ATOM 1087 CG ASP A 69 1.084 7.330 -9.641 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.730 8.357 -9.936 1.00 0.00 O ATOM 1089 OD2 ASP A 69 1.027 6.322 -10.377 1.00 0.00 O ATOM 0 H ASP A 69 0.163 6.584 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 69 2.172 7.963 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.119 6.271 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.626 7.807 -8.446 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.591 9.568 -6.550 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.144 10.892 -6.281 1.00 0.00 C ATOM 1096 C GLU A 70 -0.260 11.600 -5.267 1.00 0.00 C ATOM 1097 O GLU A 70 -0.128 12.823 -5.262 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.559 10.766 -5.700 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.441 11.978 -5.949 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.449 12.411 -7.402 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.106 11.734 -8.220 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -2.798 13.428 -7.722 1.00 0.00 O ATOM 0 H GLU A 70 -1.230 8.796 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.185 11.458 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.039 9.886 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.486 10.598 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.460 11.750 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.096 12.806 -5.330 1.00 0.00 H new ATOM 1109 N LEU A 71 0.321 10.785 -4.400 1.00 0.00 N ATOM 1110 CA LEU A 71 1.186 11.237 -3.329 1.00 0.00 C ATOM 1111 C LEU A 71 2.583 11.610 -3.827 1.00 0.00 C ATOM 1112 O LEU A 71 2.941 12.786 -3.861 1.00 0.00 O ATOM 1113 CB LEU A 71 1.255 10.109 -2.303 1.00 0.00 C ATOM 1114 CG LEU A 71 2.396 10.169 -1.295 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.882 10.646 0.046 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.040 8.799 -1.154 1.00 0.00 C ATOM 0 H LEU A 71 0.200 9.772 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 71 0.779 12.146 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.315 10.093 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.326 9.164 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 71 3.146 10.874 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.706 10.685 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.449 11.640 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.120 9.957 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.854 8.852 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.296 8.081 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.432 8.480 -2.120 1.00 0.00 H new ATOM 1128 N ASN A 72 3.371 10.604 -4.192 1.00 0.00 N ATOM 1129 CA ASN A 72 4.734 10.832 -4.668 1.00 0.00 C ATOM 1130 C ASN A 72 4.769 11.871 -5.781 1.00 0.00 C ATOM 1131 O ASN A 72 5.779 12.545 -5.980 1.00 0.00 O ATOM 1132 CB ASN A 72 5.354 9.521 -5.158 1.00 0.00 C ATOM 1133 CG ASN A 72 6.833 9.420 -4.837 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.302 8.395 -4.341 1.00 0.00 O ATOM 1135 ND2 ASN A 72 7.577 10.483 -5.120 1.00 0.00 N ATOM 0 H ASN A 72 3.091 9.623 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 72 5.317 11.214 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.829 8.682 -4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.213 9.437 -6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.578 10.471 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.147 11.312 -5.531 1.00 0.00 H new ATOM 1142 N ASN A 73 3.663 12.002 -6.501 1.00 0.00 N ATOM 1143 CA ASN A 73 3.580 12.966 -7.586 1.00 0.00 C ATOM 1144 C ASN A 73 3.156 14.339 -7.072 1.00 0.00 C ATOM 1145 O ASN A 73 2.879 15.241 -7.863 1.00 0.00 O ATOM 1146 CB ASN A 73 2.595 12.480 -8.652 1.00 0.00 C ATOM 1147 CG ASN A 73 2.862 13.102 -10.009 1.00 0.00 C ATOM 1148 OD1 ASN A 73 3.976 13.031 -10.530 1.00 0.00 O ATOM 1149 ND2 ASN A 73 1.837 13.714 -10.591 1.00 0.00 N ATOM 0 H ASN A 73 2.815 11.455 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 73 4.571 13.059 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.658 11.395 -8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.578 12.718 -8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.955 14.149 -11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.931 13.749 -10.123 1.00 0.00 H new ATOM 1156 N HIS A 74 3.094 14.501 -5.749 1.00 0.00 N ATOM 1157 CA HIS A 74 2.691 15.777 -5.171 1.00 0.00 C ATOM 1158 C HIS A 74 3.404 16.070 -3.858 1.00 0.00 C ATOM 1159 O HIS A 74 2.863 16.776 -3.009 1.00 0.00 O ATOM 1160 CB HIS A 74 1.178 15.807 -4.960 1.00 0.00 C ATOM 1161 CG HIS A 74 0.401 16.000 -6.225 1.00 0.00 C ATOM 1162 ND1 HIS A 74 -0.241 17.179 -6.543 1.00 0.00 N ATOM 1163 CD2 HIS A 74 0.163 15.156 -7.257 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.839 17.050 -7.713 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.609 15.833 -8.168 1.00 0.00 N ATOM 0 H HIS A 74 3.315 13.774 -5.069 1.00 0.00 H new ATOM 0 HA HIS A 74 2.979 16.554 -5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.866 14.874 -4.491 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.932 16.611 -4.266 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.252 18.019 -5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.515 14.139 -7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.419 17.812 -8.213 1.00 0.00 H new ATOM 1174 N LEU A 75 4.629 15.558 -3.699 1.00 0.00 N ATOM 1175 CA LEU A 75 5.404 15.820 -2.485 1.00 0.00 C ATOM 1176 C LEU A 75 5.411 17.317 -2.205 1.00 0.00 C ATOM 1177 O LEU A 75 6.290 18.040 -2.672 1.00 0.00 O ATOM 1178 CB LEU A 75 6.851 15.344 -2.650 1.00 0.00 C ATOM 1179 CG LEU A 75 7.217 14.060 -1.915 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.603 14.036 -0.523 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.785 12.852 -2.727 1.00 0.00 C ATOM 0 H LEU A 75 5.099 14.968 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 75 4.944 15.279 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.047 15.200 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.515 16.138 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 75 8.300 14.024 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.879 13.110 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.972 14.885 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.518 14.096 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.051 11.940 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.706 12.882 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.287 12.865 -3.694 1.00 0.00 H new ATOM 1193 N GLN A 76 4.421 17.779 -1.465 1.00 0.00 N ATOM 1194 CA GLN A 76 4.313 19.195 -1.159 1.00 0.00 C ATOM 1195 C GLN A 76 5.520 19.668 -0.354 1.00 0.00 C ATOM 1196 O GLN A 76 6.139 20.681 -0.678 1.00 0.00 O ATOM 1197 CB GLN A 76 3.019 19.486 -0.395 1.00 0.00 C ATOM 1198 CG GLN A 76 2.230 20.656 -0.963 1.00 0.00 C ATOM 1199 CD GLN A 76 2.916 21.989 -0.735 1.00 0.00 C ATOM 1200 OE1 GLN A 76 4.096 22.044 -0.391 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.176 23.075 -0.927 1.00 0.00 N ATOM 0 H GLN A 76 3.683 17.199 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 76 4.290 19.743 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.391 18.595 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.260 19.693 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.084 20.505 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.241 20.678 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.201 22.984 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.583 24.000 -0.789 1.00 0.00 H new ATOM 1210 N GLY A 77 5.847 18.922 0.695 1.00 0.00 N ATOM 1211 CA GLY A 77 6.979 19.272 1.532 1.00 0.00 C ATOM 1212 C GLY A 77 7.289 18.201 2.559 1.00 0.00 C ATOM 1213 O GLY A 77 7.701 18.505 3.678 1.00 0.00 O ATOM 0 H GLY A 77 5.348 18.080 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.855 19.435 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.773 20.213 2.042 1.00 0.00 H new ATOM 1217 N GLY A 78 7.088 16.943 2.177 1.00 0.00 N ATOM 1218 CA GLY A 78 7.353 15.842 3.084 1.00 0.00 C ATOM 1219 C GLY A 78 7.944 14.637 2.382 1.00 0.00 C ATOM 1220 O GLY A 78 7.471 13.515 2.555 1.00 0.00 O ATOM 0 H GLY A 78 6.747 16.667 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.038 16.175 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.425 15.551 3.577 1.00 0.00 H new ATOM 1224 N LYS A 79 8.983 14.869 1.588 1.00 0.00 N ATOM 1225 CA LYS A 79 9.649 13.798 0.852 1.00 0.00 C ATOM 1226 C LYS A 79 9.896 12.583 1.745 1.00 0.00 C ATOM 1227 O LYS A 79 9.800 11.444 1.293 1.00 0.00 O ATOM 1228 CB LYS A 79 10.971 14.299 0.266 1.00 0.00 C ATOM 1229 CG LYS A 79 12.053 14.563 1.305 1.00 0.00 C ATOM 1230 CD LYS A 79 11.691 15.725 2.222 1.00 0.00 C ATOM 1231 CE LYS A 79 11.434 17.004 1.443 1.00 0.00 C ATOM 1232 NZ LYS A 79 12.371 18.093 1.836 1.00 0.00 N ATOM 0 H LYS A 79 9.385 15.794 1.436 1.00 0.00 H new ATOM 0 HA LYS A 79 8.992 13.492 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.341 13.564 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.784 15.218 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.209 13.665 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.995 14.779 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.804 15.468 2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.499 15.890 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.536 16.806 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.408 17.331 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.162 18.948 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.257 18.301 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.349 17.792 1.653 1.00 0.00 H new ATOM 1246 N HIS A 80 10.209 12.834 3.013 1.00 0.00 N ATOM 1247 CA HIS A 80 10.465 11.760 3.967 1.00 0.00 C ATOM 1248 C HIS A 80 9.243 10.859 4.101 1.00 0.00 C ATOM 1249 O HIS A 80 9.365 9.636 4.161 1.00 0.00 O ATOM 1250 CB HIS A 80 10.841 12.335 5.333 1.00 0.00 C ATOM 1251 CG HIS A 80 12.278 12.745 5.436 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.719 14.021 5.154 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.377 12.039 5.793 1.00 0.00 C ATOM 1254 CE1 HIS A 80 14.027 14.081 5.333 1.00 0.00 C ATOM 1255 NE2 HIS A 80 14.450 12.893 5.720 1.00 0.00 N ATOM 0 H HIS A 80 10.291 13.773 3.404 1.00 0.00 H new ATOM 0 HA HIS A 80 11.299 11.166 3.594 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.210 13.199 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.628 11.592 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.405 10.999 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.645 14.955 5.187 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.417 12.648 5.931 1.00 0.00 H new ATOM 1264 N THR A 81 8.065 11.471 4.129 1.00 0.00 N ATOM 1265 CA THR A 81 6.816 10.722 4.235 1.00 0.00 C ATOM 1266 C THR A 81 6.686 9.771 3.071 1.00 0.00 C ATOM 1267 O THR A 81 6.679 8.556 3.256 1.00 0.00 O ATOM 1268 CB THR A 81 5.625 11.680 4.269 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.417 12.169 5.582 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.325 11.056 3.802 1.00 0.00 C ATOM 0 H THR A 81 7.947 12.483 4.080 1.00 0.00 H new ATOM 0 HA THR A 81 6.827 10.148 5.162 1.00 0.00 H new ATOM 0 HB THR A 81 5.886 12.482 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.703 12.840 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.527 11.796 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.435 10.713 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.077 10.209 4.442 1.00 0.00 H new ATOM 1278 N VAL A 82 6.582 10.324 1.873 1.00 0.00 N ATOM 1279 CA VAL A 82 6.447 9.498 0.695 1.00 0.00 C ATOM 1280 C VAL A 82 7.642 8.577 0.534 1.00 0.00 C ATOM 1281 O VAL A 82 7.476 7.381 0.344 1.00 0.00 O ATOM 1282 CB VAL A 82 6.248 10.306 -0.586 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.804 9.376 -1.706 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.219 11.394 -0.356 1.00 0.00 C ATOM 0 H VAL A 82 6.589 11.329 1.697 1.00 0.00 H new ATOM 0 HA VAL A 82 5.546 8.905 0.851 1.00 0.00 H new ATOM 0 HB VAL A 82 7.188 10.778 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.661 9.951 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.567 8.615 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.866 8.895 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.083 11.966 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.270 10.942 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.563 12.058 0.437 1.00 0.00 H new ATOM 1294 N HIS A 83 8.849 9.127 0.625 1.00 0.00 N ATOM 1295 CA HIS A 83 10.054 8.317 0.492 1.00 0.00 C ATOM 1296 C HIS A 83 9.993 7.102 1.411 1.00 0.00 C ATOM 1297 O HIS A 83 10.386 6.005 1.025 1.00 0.00 O ATOM 1298 CB HIS A 83 11.306 9.140 0.803 1.00 0.00 C ATOM 1299 CG HIS A 83 11.769 9.982 -0.344 1.00 0.00 C ATOM 1300 ND1 HIS A 83 11.059 10.112 -1.519 1.00 0.00 N ATOM 1301 CD2 HIS A 83 12.883 10.738 -0.495 1.00 0.00 C ATOM 1302 CE1 HIS A 83 11.714 10.910 -2.342 1.00 0.00 C ATOM 1303 NE2 HIS A 83 12.824 11.305 -1.745 1.00 0.00 N ATOM 0 H HIS A 83 9.018 10.120 0.789 1.00 0.00 H new ATOM 0 HA HIS A 83 10.110 7.975 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.104 9.785 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.111 8.466 1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.671 10.870 0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.396 11.192 -3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.524 11.929 -2.147 1.00 0.00 H new ATOM 1312 N HIS A 84 9.487 7.302 2.625 1.00 0.00 N ATOM 1313 CA HIS A 84 9.368 6.211 3.586 1.00 0.00 C ATOM 1314 C HIS A 84 8.201 5.303 3.213 1.00 0.00 C ATOM 1315 O HIS A 84 8.372 4.100 3.024 1.00 0.00 O ATOM 1316 CB HIS A 84 9.176 6.760 5.001 1.00 0.00 C ATOM 1317 CG HIS A 84 9.649 5.828 6.074 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.209 4.597 5.995 1.00 0.00 N flip ATOM 1319 CD2 HIS A 84 9.569 6.126 7.419 1.00 0.00 C flip ATOM 1320 CE1 HIS A 84 10.455 4.180 7.280 1.00 0.00 C flip ATOM 1321 NE2 HIS A 84 10.061 5.119 8.119 1.00 0.00 N flip ATOM 0 H HIS A 84 9.155 8.205 2.965 1.00 0.00 H new ATOM 0 HA HIS A 84 10.289 5.629 3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.711 7.706 5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.119 6.975 5.158 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.410 4.077 5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.167 7.039 7.834 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.899 3.236 7.559 1.00 0.00 H new ATOM 1330 N ILE A 85 7.018 5.896 3.103 1.00 0.00 N ATOM 1331 CA ILE A 85 5.814 5.154 2.741 1.00 0.00 C ATOM 1332 C ILE A 85 5.989 4.464 1.385 1.00 0.00 C ATOM 1333 O ILE A 85 5.470 3.372 1.174 1.00 0.00 O ATOM 1334 CB ILE A 85 4.581 6.088 2.713 1.00 0.00 C ATOM 1335 CG1 ILE A 85 3.309 5.338 2.315 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.858 7.234 1.795 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.456 6.012 1.251 1.00 0.00 C ATOM 0 H ILE A 85 6.866 6.892 3.260 1.00 0.00 H new ATOM 0 HA ILE A 85 5.650 4.389 3.500 1.00 0.00 H new ATOM 0 HB ILE A 85 4.404 6.472 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.589 4.347 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.699 5.194 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.993 7.897 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.728 7.785 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.055 6.857 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.580 5.397 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.136 6.991 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.040 6.131 0.338 1.00 0.00 H new ATOM 1349 N GLU A 86 6.749 5.090 0.479 1.00 0.00 N ATOM 1350 CA GLU A 86 7.007 4.505 -0.840 1.00 0.00 C ATOM 1351 C GLU A 86 8.121 3.474 -0.742 1.00 0.00 C ATOM 1352 O GLU A 86 8.029 2.402 -1.333 1.00 0.00 O ATOM 1353 CB GLU A 86 7.338 5.584 -1.887 1.00 0.00 C ATOM 1354 CG GLU A 86 8.630 6.344 -1.641 1.00 0.00 C ATOM 1355 CD GLU A 86 9.624 6.189 -2.775 1.00 0.00 C ATOM 1356 OE1 GLU A 86 9.576 5.151 -3.467 1.00 0.00 O ATOM 1357 OE2 GLU A 86 10.450 7.106 -2.971 1.00 0.00 O ATOM 0 H GLU A 86 7.193 5.995 0.634 1.00 0.00 H new ATOM 0 HA GLU A 86 6.097 4.007 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.393 5.112 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.515 6.298 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.404 7.401 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.084 5.991 -0.715 1.00 0.00 H new ATOM 1364 N GLN A 87 9.151 3.766 0.049 1.00 0.00 N ATOM 1365 CA GLN A 87 10.226 2.804 0.244 1.00 0.00 C ATOM 1366 C GLN A 87 9.661 1.609 0.997 1.00 0.00 C ATOM 1367 O GLN A 87 10.150 0.486 0.880 1.00 0.00 O ATOM 1368 CB GLN A 87 11.393 3.417 1.026 1.00 0.00 C ATOM 1369 CG GLN A 87 12.471 4.038 0.146 1.00 0.00 C ATOM 1370 CD GLN A 87 11.910 4.750 -1.071 1.00 0.00 C ATOM 1371 OE1 GLN A 87 11.714 5.965 -1.058 1.00 0.00 O ATOM 1372 NE2 GLN A 87 11.656 3.994 -2.134 1.00 0.00 N ATOM 0 H GLN A 87 9.261 4.644 0.555 1.00 0.00 H new ATOM 0 HA GLN A 87 10.614 2.497 -0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.004 4.181 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.846 2.644 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.051 4.746 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.158 3.258 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.834 2.990 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.283 4.418 -2.984 1.00 0.00 H new ATOM 1381 N ASN A 88 8.599 1.876 1.757 1.00 0.00 N ATOM 1382 CA ASN A 88 7.913 0.855 2.523 1.00 0.00 C ATOM 1383 C ASN A 88 6.932 0.112 1.627 1.00 0.00 C ATOM 1384 O ASN A 88 6.957 -1.114 1.543 1.00 0.00 O ATOM 1385 CB ASN A 88 7.168 1.494 3.697 1.00 0.00 C ATOM 1386 CG ASN A 88 8.015 1.561 4.953 1.00 0.00 C ATOM 1387 OD1 ASN A 88 9.243 2.043 4.811 1.00 0.00 O flip ATOM 1388 ND2 ASN A 88 7.570 1.183 6.037 1.00 0.00 N flip ATOM 0 H ASN A 88 8.196 2.808 1.854 1.00 0.00 H new ATOM 0 HA ASN A 88 8.646 0.149 2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.854 2.500 3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.263 0.923 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.619 0.819 6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.152 1.234 6.873 1.00 0.00 H new ATOM 1395 N ILE A 89 6.068 0.870 0.952 1.00 0.00 N ATOM 1396 CA ILE A 89 5.080 0.281 0.058 1.00 0.00 C ATOM 1397 C ILE A 89 5.750 -0.377 -1.131 1.00 0.00 C ATOM 1398 O ILE A 89 5.466 -1.530 -1.454 1.00 0.00 O ATOM 1399 CB ILE A 89 4.044 1.324 -0.436 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.680 1.001 0.158 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.956 1.364 -1.962 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.076 2.144 0.956 1.00 0.00 C ATOM 0 H ILE A 89 6.035 1.888 1.009 1.00 0.00 H new ATOM 0 HA ILE A 89 4.547 -0.475 0.634 1.00 0.00 H new ATOM 0 HB ILE A 89 4.372 2.309 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.997 0.731 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.772 0.128 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.219 2.108 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.929 1.628 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.657 0.384 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.105 1.841 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.738 2.400 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.951 3.013 0.310 1.00 0.00 H new ATOM 1414 N LYS A 90 6.636 0.353 -1.789 1.00 0.00 N ATOM 1415 CA LYS A 90 7.324 -0.191 -2.940 1.00 0.00 C ATOM 1416 C LYS A 90 8.055 -1.472 -2.553 1.00 0.00 C ATOM 1417 O LYS A 90 8.258 -2.358 -3.380 1.00 0.00 O ATOM 1418 CB LYS A 90 8.301 0.827 -3.534 1.00 0.00 C ATOM 1419 CG LYS A 90 7.634 2.106 -4.009 1.00 0.00 C ATOM 1420 CD LYS A 90 7.006 1.932 -5.382 1.00 0.00 C ATOM 1421 CE LYS A 90 8.021 2.160 -6.491 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.547 0.878 -7.035 1.00 0.00 N ATOM 0 H LYS A 90 6.891 1.311 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 90 6.582 -0.423 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.053 1.076 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.826 0.368 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.868 2.405 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.370 2.910 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.590 0.928 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.178 2.631 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.558 2.732 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.848 2.759 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.831 1.012 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.371 0.576 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.807 0.149 -6.982 1.00 0.00 H new ATOM 1436 N GLU A 91 8.426 -1.564 -1.279 1.00 0.00 N ATOM 1437 CA GLU A 91 9.107 -2.741 -0.760 1.00 0.00 C ATOM 1438 C GLU A 91 8.090 -3.753 -0.228 1.00 0.00 C ATOM 1439 O GLU A 91 8.451 -4.865 0.158 1.00 0.00 O ATOM 1440 CB GLU A 91 10.086 -2.348 0.348 1.00 0.00 C ATOM 1441 CG GLU A 91 11.046 -3.461 0.733 1.00 0.00 C ATOM 1442 CD GLU A 91 11.315 -3.508 2.225 1.00 0.00 C ATOM 1443 OE1 GLU A 91 11.161 -2.462 2.889 1.00 0.00 O ATOM 1444 OE2 GLU A 91 11.678 -4.592 2.729 1.00 0.00 O ATOM 0 H GLU A 91 8.265 -0.833 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 91 9.667 -3.201 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.660 -1.480 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.521 -2.045 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.635 -4.418 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.988 -3.324 0.202 1.00 0.00 H new ATOM 1451 N ILE A 92 6.814 -3.362 -0.221 1.00 0.00 N ATOM 1452 CA ILE A 92 5.749 -4.229 0.245 1.00 0.00 C ATOM 1453 C ILE A 92 5.405 -5.237 -0.838 1.00 0.00 C ATOM 1454 O ILE A 92 5.293 -6.435 -0.578 1.00 0.00 O ATOM 1455 CB ILE A 92 4.496 -3.416 0.661 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.347 -3.435 2.182 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.232 -3.950 0.002 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.580 -2.955 2.915 1.00 0.00 C ATOM 0 H ILE A 92 6.500 -2.444 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 92 6.096 -4.760 1.131 1.00 0.00 H new ATOM 0 HB ILE A 92 4.634 -2.390 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.500 -2.810 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.115 -4.450 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.377 -3.354 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.334 -3.891 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.079 -4.988 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.403 -2.995 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.426 -3.595 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.801 -1.929 2.622 1.00 0.00 H new ATOM 1470 N PHE A 93 5.267 -4.741 -2.066 1.00 0.00 N ATOM 1471 CA PHE A 93 4.960 -5.595 -3.203 1.00 0.00 C ATOM 1472 C PHE A 93 5.892 -6.811 -3.223 1.00 0.00 C ATOM 1473 O PHE A 93 5.531 -7.876 -3.720 1.00 0.00 O ATOM 1474 CB PHE A 93 5.106 -4.803 -4.510 1.00 0.00 C ATOM 1475 CG PHE A 93 6.423 -5.033 -5.189 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.602 -4.765 -4.519 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.484 -5.545 -6.472 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.819 -4.998 -5.114 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.702 -5.783 -7.077 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.874 -5.510 -6.396 1.00 0.00 C ATOM 0 H PHE A 93 5.364 -3.752 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 93 3.931 -5.943 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.300 -5.081 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.993 -3.740 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.567 -4.368 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.570 -5.761 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.732 -4.781 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.739 -6.182 -8.080 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.829 -5.696 -6.865 1.00 0.00 H new ATOM 1490 N HIS A 94 7.099 -6.630 -2.685 1.00 0.00 N ATOM 1491 CA HIS A 94 8.091 -7.697 -2.645 1.00 0.00 C ATOM 1492 C HIS A 94 7.555 -8.878 -1.858 1.00 0.00 C ATOM 1493 O HIS A 94 7.359 -9.964 -2.401 1.00 0.00 O ATOM 1494 CB HIS A 94 9.394 -7.192 -2.020 1.00 0.00 C ATOM 1495 CG HIS A 94 10.608 -7.494 -2.844 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.119 -8.766 -2.994 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.414 -6.680 -3.566 1.00 0.00 C ATOM 1498 CE1 HIS A 94 12.187 -8.720 -3.772 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.387 -7.467 -4.132 1.00 0.00 N ATOM 0 H HIS A 94 7.410 -5.751 -2.271 1.00 0.00 H new ATOM 0 HA HIS A 94 8.298 -8.019 -3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.323 -6.114 -1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.513 -7.641 -1.034 1.00 0.00 H new ATOM 0 HD1 HIS A 94 10.733 -9.610 -2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.311 -5.611 -3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.793 -9.565 -4.063 1.00 0.00 H new ATOM 1508 N HIS A 95 7.294 -8.648 -0.578 1.00 0.00 N ATOM 1509 CA HIS A 95 6.753 -9.686 0.282 1.00 0.00 C ATOM 1510 C HIS A 95 5.325 -10.029 -0.134 1.00 0.00 C ATOM 1511 O HIS A 95 4.746 -10.999 0.354 1.00 0.00 O ATOM 1512 CB HIS A 95 6.780 -9.237 1.745 1.00 0.00 C ATOM 1513 CG HIS A 95 8.162 -9.127 2.309 1.00 0.00 C ATOM 1514 ND1 HIS A 95 9.301 -9.285 1.549 1.00 0.00 N ATOM 1515 CD2 HIS A 95 8.587 -8.872 3.570 1.00 0.00 C ATOM 1516 CE1 HIS A 95 10.365 -9.133 2.316 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.960 -8.882 3.546 1.00 0.00 N ATOM 0 H HIS A 95 7.449 -7.752 -0.115 1.00 0.00 H new ATOM 0 HA HIS A 95 7.373 -10.576 0.178 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.283 -8.270 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.206 -9.944 2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.962 -8.694 4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.393 -9.202 1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.568 -8.721 4.349 1.00 0.00 H new ATOM 1526 N LEU A 96 4.760 -9.236 -1.049 1.00 0.00 N ATOM 1527 CA LEU A 96 3.403 -9.481 -1.523 1.00 0.00 C ATOM 1528 C LEU A 96 3.430 -10.430 -2.708 1.00 0.00 C ATOM 1529 O LEU A 96 2.810 -11.493 -2.683 1.00 0.00 O ATOM 1530 CB LEU A 96 2.730 -8.167 -1.911 1.00 0.00 C ATOM 1531 CG LEU A 96 2.354 -7.270 -0.737 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.500 -6.105 -1.214 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.625 -8.055 0.347 1.00 0.00 C ATOM 0 H LEU A 96 5.219 -8.428 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 96 2.828 -9.939 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.397 -7.615 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.829 -8.391 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 96 3.275 -6.878 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.239 -5.473 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.059 -5.519 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.589 -6.487 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.370 -7.388 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.713 -8.486 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.270 -8.854 0.713 1.00 0.00 H new ATOM 1545 N GLU A 97 4.179 -10.051 -3.735 1.00 0.00 N ATOM 1546 CA GLU A 97 4.318 -10.881 -4.917 1.00 0.00 C ATOM 1547 C GLU A 97 5.173 -12.102 -4.594 1.00 0.00 C ATOM 1548 O GLU A 97 5.267 -13.034 -5.393 1.00 0.00 O ATOM 1549 CB GLU A 97 4.944 -10.084 -6.063 1.00 0.00 C ATOM 1550 CG GLU A 97 3.926 -9.526 -7.043 1.00 0.00 C ATOM 1551 CD GLU A 97 4.249 -9.874 -8.484 1.00 0.00 C ATOM 1552 OE1 GLU A 97 4.487 -11.068 -8.767 1.00 0.00 O ATOM 1553 OE2 GLU A 97 4.266 -8.954 -9.327 1.00 0.00 O ATOM 0 H GLU A 97 4.698 -9.174 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 97 3.328 -11.212 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.525 -9.261 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.641 -10.725 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.938 -9.912 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.881 -8.442 -6.936 1.00 0.00 H new ATOM 1560 N GLU A 98 5.791 -12.096 -3.410 1.00 0.00 N ATOM 1561 CA GLU A 98 6.628 -13.214 -2.988 1.00 0.00 C ATOM 1562 C GLU A 98 5.790 -14.270 -2.277 1.00 0.00 C ATOM 1563 O GLU A 98 6.096 -15.461 -2.330 1.00 0.00 O ATOM 1564 CB GLU A 98 7.748 -12.732 -2.062 1.00 0.00 C ATOM 1565 CG GLU A 98 8.988 -12.257 -2.802 1.00 0.00 C ATOM 1566 CD GLU A 98 10.115 -11.877 -1.862 1.00 0.00 C ATOM 1567 OE1 GLU A 98 10.108 -10.734 -1.358 1.00 0.00 O ATOM 1568 OE2 GLU A 98 11.006 -12.722 -1.630 1.00 0.00 O ATOM 0 H GLU A 98 5.727 -11.335 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 98 7.074 -13.656 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.371 -11.918 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.025 -13.543 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.330 -13.044 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.731 -11.398 -3.422 1.00 0.00 H new ATOM 1575 N LEU A 99 4.730 -13.822 -1.614 1.00 0.00 N ATOM 1576 CA LEU A 99 3.841 -14.721 -0.891 1.00 0.00 C ATOM 1577 C LEU A 99 3.076 -15.622 -1.855 1.00 0.00 C ATOM 1578 O LEU A 99 3.126 -16.847 -1.747 1.00 0.00 O ATOM 1579 CB LEU A 99 2.854 -13.918 -0.041 1.00 0.00 C ATOM 1580 CG LEU A 99 1.936 -14.757 0.849 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.637 -15.112 2.153 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.636 -14.014 1.122 1.00 0.00 C ATOM 0 H LEU A 99 4.466 -12.838 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 99 4.450 -15.348 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.417 -13.230 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.237 -13.311 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 99 1.698 -15.683 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.969 -15.709 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.540 -15.684 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.905 -14.198 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.006 -14.625 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.854 -13.072 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.128 -13.812 0.179 1.00 0.00 H new ATOM 1594 N VAL A 100 2.367 -15.005 -2.792 1.00 0.00 N ATOM 1595 CA VAL A 100 1.588 -15.749 -3.773 1.00 0.00 C ATOM 1596 C VAL A 100 2.481 -16.629 -4.642 1.00 0.00 C ATOM 1597 O VAL A 100 2.111 -17.749 -4.994 1.00 0.00 O ATOM 1598 CB VAL A 100 0.777 -14.805 -4.679 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.185 -15.597 -5.554 1.00 0.00 C ATOM 1600 CG2 VAL A 100 0.030 -13.778 -3.841 1.00 0.00 C ATOM 0 H VAL A 100 2.316 -13.991 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 100 0.901 -16.382 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 100 1.468 -14.274 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.749 -14.912 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.378 -16.289 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.874 -16.158 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.539 -13.118 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.651 -14.289 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.744 -13.190 -3.265 1.00 0.00 H new ATOM 1610 N HIS A 101 3.657 -16.117 -4.987 1.00 0.00 N ATOM 1611 CA HIS A 101 4.598 -16.859 -5.816 1.00 0.00 C ATOM 1612 C HIS A 101 5.072 -18.123 -5.105 1.00 0.00 C ATOM 1613 O HIS A 101 5.228 -19.175 -5.725 1.00 0.00 O ATOM 1614 CB HIS A 101 5.799 -15.983 -6.178 1.00 0.00 C ATOM 1615 CG HIS A 101 6.597 -16.508 -7.331 1.00 0.00 C ATOM 1616 ND1 HIS A 101 6.783 -15.801 -8.501 1.00 0.00 N ATOM 1617 CD2 HIS A 101 7.259 -17.678 -7.491 1.00 0.00 C ATOM 1618 CE1 HIS A 101 7.523 -16.515 -9.331 1.00 0.00 C ATOM 1619 NE2 HIS A 101 7.825 -17.657 -8.742 1.00 0.00 N ATOM 0 H HIS A 101 3.981 -15.192 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 101 4.082 -17.149 -6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.447 -14.979 -6.417 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.449 -15.894 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.329 -18.479 -6.769 1.00 0.00 H new ATOM 0 HE1 HIS A 101 7.829 -16.215 -10.323 1.00 0.00 H new ATOM 0 HE2 HIS A 101 8.388 -18.403 -9.150 1.00 0.00 H new ATOM 1628 N ARG A 102 5.297 -18.011 -3.800 1.00 0.00 N ATOM 1629 CA ARG A 102 5.752 -19.146 -3.004 1.00 0.00 C ATOM 1630 C ARG A 102 4.620 -20.145 -2.785 1.00 0.00 C ATOM 1631 O ARG A 102 3.564 -19.735 -2.258 1.00 0.00 O ATOM 1632 CB ARG A 102 6.296 -18.665 -1.657 1.00 0.00 C ATOM 1633 CG ARG A 102 7.815 -18.659 -1.583 1.00 0.00 C ATOM 1634 CD ARG A 102 8.329 -17.467 -0.791 1.00 0.00 C ATOM 1635 NE ARG A 102 8.191 -17.666 0.650 1.00 0.00 N ATOM 1636 CZ ARG A 102 8.267 -16.683 1.544 1.00 0.00 C ATOM 1637 NH1 ARG A 102 8.480 -15.433 1.150 1.00 0.00 N ATOM 1638 NH2 ARG A 102 8.129 -16.949 2.835 1.00 0.00 N ATOM 1639 OXT ARG A 102 4.798 -21.328 -3.142 1.00 0.00 O ATOM 0 H ARG A 102 5.172 -17.148 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 102 6.551 -19.646 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.927 -17.658 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.904 -19.305 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.161 -19.582 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.229 -18.634 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.377 -17.295 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.782 -16.572 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 102 8.027 -18.613 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.586 -15.222 0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.537 -14.684 1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.965 -17.907 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.187 -16.196 3.520 1.00 0.00 H new TER 1653 ARG A 102