USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=12 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 22 ASN : amide:sc= -5.65! C(o=-7.2!,f=-3.2!) USER MOD Set 1.2: A 81 THR OG1 : rot 78:sc= -1.51! USER MOD Set 2.1: A 56 LYS NZ :NH3+ -158:sc= -4.52! (180deg=-6.19!) USER MOD Set 2.2: A 60 MET CE :methyl -172:sc= -2.8 (180deg=-2.02) USER MOD Set 3.1: A 48 MET CE :methyl -129:sc= -3.47! (180deg=-5!) USER MOD Set 3.2: A 53 SER OG : rot 1:sc= -0.907 USER MOD Set 4.1: A 31 HIS : no HD1:sc= -0.264 K(o=-2.7,f=-2.2) USER MOD Set 4.2: A 35 ASN : amide:sc= -2.45 K(o=-2.7,f=-1.7) USER MOD Set 5.1: A 24 HIS : no HD1:sc= -1.92! K(o=-3.1!,f=-4.6) USER MOD Set 5.2: A 74 HIS : no HD1:sc= -1.14 K(o=-3.1,f=-2.5) USER MOD Set 6.1: A 4 LYS NZ :NH3+ -127:sc= -0.727 (180deg=-1.72!) USER MOD Set 6.2: A 6 ASN : amide:sc= -3.43 K(o=-4.2,f=-24!) USER MOD Set 7.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 49 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.38) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 98:sc= 1.28 USER MOD Single : A 13 GLN : amide:sc= -2.14 K(o=-2.1,f=-5.3!) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.0862 (180deg=-0.42) USER MOD Single : A 18 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.031) USER MOD Single : A 20 HIS : no HD1:sc= -13.2! C(o=-13!,f=-15!) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= -1.09 (180deg=-3.56!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.701 K(o=-0.7,f=-1.6) USER MOD Single : A 36 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.67) USER MOD Single : A 38 GLN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -5.64! K(o=-5.6!,f=-2.5) USER MOD Single : A 58 GLN : amide:sc= -2.22 K(o=-2.2,f=-6!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 72 ASN : amide:sc= -4.94 K(o=-4.9,f=-10!) USER MOD Single : A 73 ASN : amide:sc= -0.0175 K(o=-0.018,f=0.49) USER MOD Single : A 76 GLN : amide:sc= -1.68 K(o=-1.7,f=-5.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.51) USER MOD Single : A 83 HIS : no HE2:sc= 0.497 K(o=0.5,f=-5.9!) USER MOD Single : A 84 HIS : no HE2:sc= -0.826 K(o=-0.83,f=-2.8!) USER MOD Single : A 87 GLN : amide:sc= -3.28! K(o=-3.3!,f=-1) USER MOD Single : A 88 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.046) USER MOD Single : A 90 LYS NZ :NH3+ -128:sc= -1.05 (180deg=-2.49!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.16) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.925 -22.039 3.942 1.00 0.00 N ATOM 2 CA MET A 1 -0.048 -20.924 4.072 1.00 0.00 C ATOM 3 C MET A 1 0.655 -19.572 4.038 1.00 0.00 C ATOM 4 O MET A 1 1.346 -19.197 4.986 1.00 0.00 O ATOM 5 CB MET A 1 -0.808 -21.090 5.389 1.00 0.00 C ATOM 6 CG MET A 1 -2.097 -21.883 5.253 1.00 0.00 C ATOM 7 SD MET A 1 -3.109 -21.825 6.745 1.00 0.00 S ATOM 8 CE MET A 1 -4.639 -22.537 6.146 1.00 0.00 C ATOM 0 H1 MET A 1 0.418 -22.947 3.968 1.00 0.00 H new ATOM 0 H2 MET A 1 1.434 -21.952 3.039 1.00 0.00 H new ATOM 0 H3 MET A 1 1.605 -21.999 4.728 1.00 0.00 H new ATOM 0 HA MET A 1 -0.741 -20.955 3.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.161 -21.586 6.112 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.039 -20.104 5.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.672 -21.493 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.858 -22.921 5.021 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.367 -22.569 6.956 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.029 -21.927 5.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.453 -23.549 5.785 1.00 0.00 H new ATOM 20 N TYR A 2 0.474 -18.841 2.941 1.00 0.00 N ATOM 21 CA TYR A 2 1.092 -17.530 2.788 1.00 0.00 C ATOM 22 C TYR A 2 0.068 -16.418 3.001 1.00 0.00 C ATOM 23 O TYR A 2 -0.273 -15.687 2.072 1.00 0.00 O ATOM 24 CB TYR A 2 1.729 -17.401 1.403 1.00 0.00 C ATOM 25 CG TYR A 2 2.894 -18.340 1.184 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.708 -19.717 1.164 1.00 0.00 C ATOM 27 CD2 TYR A 2 4.180 -17.849 1.003 1.00 0.00 C ATOM 28 CE1 TYR A 2 3.772 -20.577 0.968 1.00 0.00 C ATOM 29 CE2 TYR A 2 5.248 -18.702 0.806 1.00 0.00 C ATOM 30 CZ TYR A 2 5.040 -20.065 0.790 1.00 0.00 C ATOM 31 OH TYR A 2 6.101 -20.918 0.595 1.00 0.00 O ATOM 0 H TYR A 2 -0.095 -19.135 2.147 1.00 0.00 H new ATOM 0 HA TYR A 2 1.870 -17.431 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.971 -17.593 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.069 -16.375 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.716 -20.121 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.348 -16.782 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 2 3.611 -21.645 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.242 -18.303 0.665 1.00 0.00 H new ATOM 0 HH TYR A 2 6.293 -20.987 -0.363 1.00 0.00 H new ATOM 41 N GLY A 3 -0.421 -16.302 4.232 1.00 0.00 N ATOM 42 CA GLY A 3 -1.405 -15.281 4.546 1.00 0.00 C ATOM 43 C GLY A 3 -0.967 -14.361 5.671 1.00 0.00 C ATOM 44 O GLY A 3 -1.473 -13.246 5.797 1.00 0.00 O ATOM 0 H GLY A 3 -0.154 -16.896 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.601 -14.687 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.344 -15.762 4.822 1.00 0.00 H new ATOM 48 N LYS A 4 -0.031 -14.825 6.496 1.00 0.00 N ATOM 49 CA LYS A 4 0.459 -14.026 7.615 1.00 0.00 C ATOM 50 C LYS A 4 1.084 -12.734 7.138 1.00 0.00 C ATOM 51 O LYS A 4 1.209 -11.782 7.909 1.00 0.00 O ATOM 52 CB LYS A 4 1.469 -14.816 8.446 1.00 0.00 C ATOM 53 CG LYS A 4 1.888 -14.111 9.728 1.00 0.00 C ATOM 54 CD LYS A 4 0.804 -14.189 10.792 1.00 0.00 C ATOM 55 CE LYS A 4 -0.258 -13.116 10.592 1.00 0.00 C ATOM 56 NZ LYS A 4 -1.588 -13.700 10.262 1.00 0.00 N ATOM 0 H LYS A 4 0.401 -15.745 6.411 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.400 -13.782 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.040 -15.786 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.355 -15.007 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.805 -14.562 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.112 -13.066 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.337 -15.173 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.253 -14.077 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.341 -12.515 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.052 -12.445 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.953 -13.262 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.491 -14.726 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.250 -13.520 11.044 1.00 0.00 H new ATOM 70 N LEU A 5 1.450 -12.675 5.864 1.00 0.00 N ATOM 71 CA LEU A 5 2.024 -11.457 5.323 1.00 0.00 C ATOM 72 C LEU A 5 1.095 -10.285 5.630 1.00 0.00 C ATOM 73 O LEU A 5 1.515 -9.130 5.648 1.00 0.00 O ATOM 74 CB LEU A 5 2.260 -11.579 3.817 1.00 0.00 C ATOM 75 CG LEU A 5 3.635 -11.097 3.349 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.877 -9.667 3.801 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.734 -12.012 3.873 1.00 0.00 C ATOM 0 H LEU A 5 1.361 -13.443 5.199 1.00 0.00 H new ATOM 0 HA LEU A 5 2.993 -11.284 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.136 -12.622 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.492 -11.009 3.294 1.00 0.00 H new ATOM 0 HG LEU A 5 3.655 -11.126 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.859 -9.339 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.111 -9.017 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.835 -9.617 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.703 -11.651 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.715 -12.016 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.572 -13.024 3.503 1.00 0.00 H new ATOM 89 N ASN A 6 -0.177 -10.602 5.898 1.00 0.00 N ATOM 90 CA ASN A 6 -1.158 -9.587 6.230 1.00 0.00 C ATOM 91 C ASN A 6 -0.669 -8.739 7.395 1.00 0.00 C ATOM 92 O ASN A 6 -0.751 -7.511 7.360 1.00 0.00 O ATOM 93 CB ASN A 6 -2.503 -10.217 6.572 1.00 0.00 C ATOM 94 CG ASN A 6 -2.409 -11.206 7.718 1.00 0.00 C ATOM 95 OD1 ASN A 6 -1.347 -11.768 7.983 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.525 -11.421 8.406 1.00 0.00 N ATOM 0 H ASN A 6 -0.541 -11.555 5.889 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.290 -8.949 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.212 -9.431 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.897 -10.724 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.523 -12.074 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.383 -10.933 8.151 1.00 0.00 H new ATOM 103 N ASP A 7 -0.133 -9.400 8.417 1.00 0.00 N ATOM 104 CA ASP A 7 0.398 -8.698 9.579 1.00 0.00 C ATOM 105 C ASP A 7 1.410 -7.657 9.123 1.00 0.00 C ATOM 106 O ASP A 7 1.579 -6.613 9.754 1.00 0.00 O ATOM 107 CB ASP A 7 1.050 -9.685 10.550 1.00 0.00 C ATOM 108 CG ASP A 7 0.849 -9.290 12.000 1.00 0.00 C ATOM 109 OD1 ASP A 7 -0.314 -9.081 12.403 1.00 0.00 O ATOM 110 OD2 ASP A 7 1.856 -9.187 12.732 1.00 0.00 O ATOM 0 H ASP A 7 -0.055 -10.416 8.464 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.420 -8.200 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.634 -10.679 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.117 -9.747 10.338 1.00 0.00 H new ATOM 115 N LEU A 8 2.063 -7.947 8.002 1.00 0.00 N ATOM 116 CA LEU A 8 3.039 -7.038 7.426 1.00 0.00 C ATOM 117 C LEU A 8 2.339 -6.046 6.504 1.00 0.00 C ATOM 118 O LEU A 8 2.794 -4.916 6.332 1.00 0.00 O ATOM 119 CB LEU A 8 4.108 -7.816 6.653 1.00 0.00 C ATOM 120 CG LEU A 8 5.077 -6.968 5.819 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.435 -6.555 4.504 1.00 0.00 C ATOM 122 CD2 LEU A 8 5.534 -5.743 6.601 1.00 0.00 C ATOM 0 H LEU A 8 1.930 -8.810 7.475 1.00 0.00 H new ATOM 0 HA LEU A 8 3.529 -6.492 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.689 -8.404 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.608 -8.522 5.989 1.00 0.00 H new ATOM 0 HG LEU A 8 5.954 -7.576 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.139 -5.954 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.167 -7.445 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.538 -5.969 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.220 -5.157 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.668 -5.134 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.041 -6.061 7.512 1.00 0.00 H new ATOM 134 N LEU A 9 1.217 -6.472 5.919 1.00 0.00 N ATOM 135 CA LEU A 9 0.455 -5.609 5.029 1.00 0.00 C ATOM 136 C LEU A 9 -0.003 -4.363 5.782 1.00 0.00 C ATOM 137 O LEU A 9 -0.059 -3.268 5.226 1.00 0.00 O ATOM 138 CB LEU A 9 -0.759 -6.354 4.469 1.00 0.00 C ATOM 139 CG LEU A 9 -0.521 -7.078 3.143 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.689 -7.997 2.820 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.305 -6.073 2.020 1.00 0.00 C ATOM 0 H LEU A 9 0.822 -7.404 6.048 1.00 0.00 H new ATOM 0 HA LEU A 9 1.095 -5.313 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.091 -7.083 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.573 -5.642 4.335 1.00 0.00 H new ATOM 0 HG LEU A 9 0.378 -7.687 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.502 -8.504 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.799 -8.737 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.604 -7.409 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.137 -6.605 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.187 -5.439 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.564 -5.455 2.247 1.00 0.00 H new ATOM 153 N GLU A 10 -0.329 -4.544 7.060 1.00 0.00 N ATOM 154 CA GLU A 10 -0.783 -3.444 7.905 1.00 0.00 C ATOM 155 C GLU A 10 0.229 -2.303 7.914 1.00 0.00 C ATOM 156 O GLU A 10 -0.146 -1.130 7.925 1.00 0.00 O ATOM 157 CB GLU A 10 -1.024 -3.939 9.332 1.00 0.00 C ATOM 158 CG GLU A 10 -2.314 -4.726 9.493 1.00 0.00 C ATOM 159 CD GLU A 10 -3.499 -3.841 9.824 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.858 -2.991 8.982 1.00 0.00 O ATOM 161 OE2 GLU A 10 -4.068 -3.997 10.925 1.00 0.00 O ATOM 0 H GLU A 10 -0.287 -5.446 7.534 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.719 -3.067 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.186 -4.565 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.044 -3.083 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.519 -5.272 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.187 -5.467 10.282 1.00 0.00 H new ATOM 168 N ASP A 11 1.513 -2.652 7.907 1.00 0.00 N ATOM 169 CA ASP A 11 2.576 -1.652 7.911 1.00 0.00 C ATOM 170 C ASP A 11 2.353 -0.623 6.808 1.00 0.00 C ATOM 171 O ASP A 11 2.334 0.581 7.060 1.00 0.00 O ATOM 172 CB ASP A 11 3.939 -2.324 7.729 1.00 0.00 C ATOM 173 CG ASP A 11 4.417 -3.014 8.991 1.00 0.00 C ATOM 174 OD1 ASP A 11 3.844 -4.066 9.346 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.363 -2.503 9.627 1.00 0.00 O ATOM 0 H ASP A 11 1.842 -3.618 7.899 1.00 0.00 H new ATOM 0 HA ASP A 11 2.558 -1.140 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.876 -3.053 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.672 -1.576 7.427 1.00 0.00 H new ATOM 180 N LEU A 12 2.176 -1.112 5.585 1.00 0.00 N ATOM 181 CA LEU A 12 1.943 -0.245 4.438 1.00 0.00 C ATOM 182 C LEU A 12 0.755 0.673 4.701 1.00 0.00 C ATOM 183 O LEU A 12 0.881 1.892 4.647 1.00 0.00 O ATOM 184 CB LEU A 12 1.737 -1.096 3.163 1.00 0.00 C ATOM 185 CG LEU A 12 0.357 -1.019 2.475 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.513 -0.871 0.970 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.466 -2.256 2.795 1.00 0.00 C ATOM 0 H LEU A 12 2.190 -2.108 5.363 1.00 0.00 H new ATOM 0 HA LEU A 12 2.818 0.386 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.493 -0.802 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.929 -2.138 3.419 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.164 -0.141 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.472 -0.819 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.067 0.041 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.056 -1.730 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.436 -2.185 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.058 -3.143 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.611 -2.328 3.873 1.00 0.00 H new ATOM 199 N GLN A 13 -0.395 0.080 4.995 1.00 0.00 N ATOM 200 CA GLN A 13 -1.602 0.853 5.267 1.00 0.00 C ATOM 201 C GLN A 13 -1.339 1.910 6.335 1.00 0.00 C ATOM 202 O GLN A 13 -1.864 3.022 6.266 1.00 0.00 O ATOM 203 CB GLN A 13 -2.741 -0.069 5.709 1.00 0.00 C ATOM 204 CG GLN A 13 -4.044 0.662 5.985 1.00 0.00 C ATOM 205 CD GLN A 13 -5.136 -0.263 6.488 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.804 -0.937 5.704 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.326 -0.296 7.803 1.00 0.00 N ATOM 0 H GLN A 13 -0.518 -0.931 5.051 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.895 1.357 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.911 -0.818 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.436 -0.603 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.868 1.445 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.381 1.154 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.749 0.280 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.049 -0.897 8.199 1.00 0.00 H new ATOM 216 N GLU A 14 -0.510 1.561 7.313 1.00 0.00 N ATOM 217 CA GLU A 14 -0.161 2.487 8.383 1.00 0.00 C ATOM 218 C GLU A 14 0.844 3.503 7.873 1.00 0.00 C ATOM 219 O GLU A 14 0.861 4.652 8.314 1.00 0.00 O ATOM 220 CB GLU A 14 0.409 1.730 9.586 1.00 0.00 C ATOM 221 CG GLU A 14 -0.549 1.647 10.762 1.00 0.00 C ATOM 222 CD GLU A 14 -1.698 0.690 10.514 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.436 -0.513 10.306 1.00 0.00 O ATOM 224 OE2 GLU A 14 -2.863 1.144 10.528 1.00 0.00 O ATOM 0 H GLU A 14 -0.068 0.645 7.386 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.062 3.008 8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.678 0.720 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.328 2.219 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.002 1.329 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.947 2.640 10.972 1.00 0.00 H new ATOM 231 N VAL A 15 1.667 3.079 6.922 1.00 0.00 N ATOM 232 CA VAL A 15 2.652 3.963 6.336 1.00 0.00 C ATOM 233 C VAL A 15 1.954 5.117 5.627 1.00 0.00 C ATOM 234 O VAL A 15 2.507 6.210 5.496 1.00 0.00 O ATOM 235 CB VAL A 15 3.601 3.204 5.375 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.098 3.181 3.930 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.993 3.800 5.451 1.00 0.00 C ATOM 0 H VAL A 15 1.668 2.131 6.545 1.00 0.00 H new ATOM 0 HA VAL A 15 3.271 4.367 7.137 1.00 0.00 H new ATOM 0 HB VAL A 15 3.629 2.165 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.806 2.635 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.126 2.689 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.003 4.202 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.656 3.263 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.955 4.851 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.370 3.716 6.470 1.00 0.00 H new ATOM 247 N LEU A 16 0.720 4.868 5.192 1.00 0.00 N ATOM 248 CA LEU A 16 -0.067 5.889 4.524 1.00 0.00 C ATOM 249 C LEU A 16 -0.378 7.016 5.504 1.00 0.00 C ATOM 250 O LEU A 16 -0.456 8.182 5.120 1.00 0.00 O ATOM 251 CB LEU A 16 -1.366 5.301 3.964 1.00 0.00 C ATOM 252 CG LEU A 16 -1.228 4.538 2.639 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.446 5.350 1.618 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.560 3.197 2.868 1.00 0.00 C ATOM 0 H LEU A 16 0.249 3.969 5.292 1.00 0.00 H new ATOM 0 HA LEU A 16 0.511 6.284 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.790 4.627 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.081 6.112 3.824 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.229 4.369 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.364 4.785 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.964 6.290 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.551 5.558 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.470 2.669 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.432 3.352 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.161 2.604 3.557 1.00 0.00 H new ATOM 266 N LYS A 17 -0.536 6.656 6.782 1.00 0.00 N ATOM 267 CA LYS A 17 -0.819 7.636 7.831 1.00 0.00 C ATOM 268 C LYS A 17 0.076 8.856 7.664 1.00 0.00 C ATOM 269 O LYS A 17 -0.347 9.992 7.878 1.00 0.00 O ATOM 270 CB LYS A 17 -0.608 7.018 9.214 1.00 0.00 C ATOM 271 CG LYS A 17 -0.944 7.963 10.358 1.00 0.00 C ATOM 272 CD LYS A 17 0.157 7.989 11.407 1.00 0.00 C ATOM 273 CE LYS A 17 0.968 9.273 11.334 1.00 0.00 C ATOM 274 NZ LYS A 17 0.142 10.470 11.657 1.00 0.00 N ATOM 0 H LYS A 17 -0.472 5.693 7.113 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.861 7.945 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.223 6.122 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.431 6.702 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.098 8.969 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.881 7.655 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.283 7.891 12.400 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.816 7.133 11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.807 9.213 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.388 9.381 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.755 11.225 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.339 10.803 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.567 10.219 12.375 1.00 0.00 H new ATOM 288 N ASN A 18 1.312 8.602 7.256 1.00 0.00 N ATOM 289 CA ASN A 18 2.280 9.669 7.025 1.00 0.00 C ATOM 290 C ASN A 18 1.992 10.354 5.697 1.00 0.00 C ATOM 291 O ASN A 18 1.924 11.580 5.610 1.00 0.00 O ATOM 292 CB ASN A 18 3.702 9.101 7.010 1.00 0.00 C ATOM 293 CG ASN A 18 4.251 8.874 8.404 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.707 7.779 8.734 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.210 9.911 9.233 1.00 0.00 N ATOM 0 H ASN A 18 1.670 7.664 7.077 1.00 0.00 H new ATOM 0 HA ASN A 18 2.195 10.396 7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.707 8.158 6.463 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.358 9.786 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.565 9.818 10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.823 10.801 8.918 1.00 0.00 H new ATOM 302 N LEU A 19 1.826 9.537 4.666 1.00 0.00 N ATOM 303 CA LEU A 19 1.545 10.010 3.314 1.00 0.00 C ATOM 304 C LEU A 19 0.506 11.134 3.309 1.00 0.00 C ATOM 305 O LEU A 19 0.703 12.172 2.679 1.00 0.00 O ATOM 306 CB LEU A 19 1.080 8.813 2.468 1.00 0.00 C ATOM 307 CG LEU A 19 -0.137 9.031 1.566 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.000 8.225 0.285 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.403 8.635 2.294 1.00 0.00 C ATOM 0 H LEU A 19 1.882 8.521 4.743 1.00 0.00 H new ATOM 0 HA LEU A 19 2.453 10.434 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.914 8.497 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.858 7.987 3.143 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.192 10.089 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.874 8.392 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.897 8.539 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.075 7.165 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.262 8.794 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.349 7.582 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.511 9.243 3.192 1.00 0.00 H new ATOM 321 N HIS A 20 -0.602 10.910 4.004 1.00 0.00 N ATOM 322 CA HIS A 20 -1.687 11.888 4.075 1.00 0.00 C ATOM 323 C HIS A 20 -1.189 13.296 4.400 1.00 0.00 C ATOM 324 O HIS A 20 -1.696 14.281 3.862 1.00 0.00 O ATOM 325 CB HIS A 20 -2.700 11.466 5.140 1.00 0.00 C ATOM 326 CG HIS A 20 -3.196 10.067 4.991 1.00 0.00 C ATOM 327 ND1 HIS A 20 -2.774 9.040 5.799 1.00 0.00 N ATOM 328 CD2 HIS A 20 -4.089 9.529 4.137 1.00 0.00 C ATOM 329 CE1 HIS A 20 -3.386 7.924 5.448 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.194 8.194 4.441 1.00 0.00 N ATOM 0 H HIS A 20 -0.776 10.054 4.531 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.151 11.915 3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.243 11.575 6.124 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.551 12.147 5.107 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.623 10.051 3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.249 6.956 5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.797 7.522 3.966 1.00 0.00 H new ATOM 339 N LYS A 21 -0.230 13.388 5.312 1.00 0.00 N ATOM 340 CA LYS A 21 0.293 14.683 5.743 1.00 0.00 C ATOM 341 C LYS A 21 1.430 15.184 4.863 1.00 0.00 C ATOM 342 O LYS A 21 2.063 16.191 5.183 1.00 0.00 O ATOM 343 CB LYS A 21 0.770 14.597 7.191 1.00 0.00 C ATOM 344 CG LYS A 21 -0.103 13.711 8.062 1.00 0.00 C ATOM 345 CD LYS A 21 -1.451 14.363 8.343 1.00 0.00 C ATOM 346 CE LYS A 21 -2.392 14.269 7.148 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.821 14.253 7.569 1.00 0.00 N ATOM 0 H LYS A 21 0.202 12.585 5.768 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.525 15.398 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.791 14.217 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.797 15.600 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.257 12.751 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.408 13.507 9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.913 13.883 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.300 15.411 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.219 15.114 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.170 13.365 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.383 14.831 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.175 13.275 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.904 14.641 8.530 1.00 0.00 H new ATOM 361 N ASN A 22 1.699 14.499 3.760 1.00 0.00 N ATOM 362 CA ASN A 22 2.774 14.923 2.876 1.00 0.00 C ATOM 363 C ASN A 22 2.550 14.469 1.438 1.00 0.00 C ATOM 364 O ASN A 22 3.486 14.441 0.640 1.00 0.00 O ATOM 365 CB ASN A 22 4.114 14.409 3.397 1.00 0.00 C ATOM 366 CG ASN A 22 4.520 15.100 4.685 1.00 0.00 C ATOM 367 OD1 ASN A 22 4.886 16.275 4.683 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.449 14.376 5.795 1.00 0.00 N ATOM 0 H ASN A 22 1.198 13.663 3.460 1.00 0.00 H new ATOM 0 HA ASN A 22 2.784 16.013 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.050 13.334 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.883 14.568 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.703 14.791 6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.140 13.405 5.752 1.00 0.00 H new ATOM 375 N TRP A 23 1.309 14.133 1.098 1.00 0.00 N ATOM 376 CA TRP A 23 0.996 13.709 -0.258 1.00 0.00 C ATOM 377 C TRP A 23 0.685 14.926 -1.130 1.00 0.00 C ATOM 378 O TRP A 23 0.997 14.949 -2.320 1.00 0.00 O ATOM 379 CB TRP A 23 -0.170 12.707 -0.258 1.00 0.00 C ATOM 380 CG TRP A 23 -1.502 13.313 -0.551 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.521 13.499 0.320 1.00 0.00 C ATOM 382 CD2 TRP A 23 -1.958 13.787 -1.807 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.581 14.099 -0.305 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.261 14.281 -1.625 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.381 13.849 -3.065 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -3.996 14.832 -2.671 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.102 14.386 -4.099 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.401 14.874 -3.903 1.00 0.00 C ATOM 0 H TRP A 23 0.514 14.146 1.736 1.00 0.00 H new ATOM 0 HA TRP A 23 1.864 13.202 -0.679 1.00 0.00 H new ATOM 0 HB2 TRP A 23 0.033 11.931 -0.996 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.213 12.218 0.715 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.501 13.214 1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.461 14.366 0.137 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.379 13.480 -3.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -4.995 15.211 -2.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.661 14.434 -5.084 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -3.943 15.291 -4.739 1.00 0.00 H new ATOM 399 N HIS A 24 0.079 15.939 -0.517 1.00 0.00 N ATOM 400 CA HIS A 24 -0.269 17.170 -1.218 1.00 0.00 C ATOM 401 C HIS A 24 -0.887 18.178 -0.256 1.00 0.00 C ATOM 402 O HIS A 24 -0.461 19.331 -0.192 1.00 0.00 O ATOM 403 CB HIS A 24 -1.240 16.880 -2.366 1.00 0.00 C ATOM 404 CG HIS A 24 -1.691 18.106 -3.103 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.601 18.236 -4.473 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.243 19.260 -2.654 1.00 0.00 C ATOM 407 CE1 HIS A 24 -2.076 19.416 -4.834 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.471 20.055 -3.750 1.00 0.00 N ATOM 0 H HIS A 24 -0.182 15.930 0.469 1.00 0.00 H new ATOM 0 HA HIS A 24 0.646 17.595 -1.631 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.762 16.200 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.114 16.365 -1.968 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.462 19.508 -1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.131 19.793 -5.845 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.880 20.989 -3.729 1.00 0.00 H new ATOM 417 N GLY A 25 -1.892 17.736 0.493 1.00 0.00 N ATOM 418 CA GLY A 25 -2.546 18.618 1.441 1.00 0.00 C ATOM 419 C GLY A 25 -3.922 18.136 1.850 1.00 0.00 C ATOM 420 O GLY A 25 -4.755 17.813 1.003 1.00 0.00 O ATOM 0 H GLY A 25 -2.264 16.787 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.922 18.713 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.631 19.613 1.003 1.00 0.00 H new ATOM 424 N GLY A 26 -4.161 18.098 3.156 1.00 0.00 N ATOM 425 CA GLY A 26 -5.445 17.664 3.668 1.00 0.00 C ATOM 426 C GLY A 26 -5.759 16.225 3.317 1.00 0.00 C ATOM 427 O GLY A 26 -5.828 15.865 2.141 1.00 0.00 O ATOM 0 H GLY A 26 -3.484 18.362 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.457 17.780 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.227 18.310 3.269 1.00 0.00 H new ATOM 431 N LYS A 27 -5.956 15.400 4.339 1.00 0.00 N ATOM 432 CA LYS A 27 -6.272 13.992 4.134 1.00 0.00 C ATOM 433 C LYS A 27 -7.595 13.837 3.386 1.00 0.00 C ATOM 434 O LYS A 27 -7.875 12.781 2.818 1.00 0.00 O ATOM 435 CB LYS A 27 -6.342 13.260 5.474 1.00 0.00 C ATOM 436 CG LYS A 27 -6.656 11.779 5.342 1.00 0.00 C ATOM 437 CD LYS A 27 -6.193 10.999 6.562 1.00 0.00 C ATOM 438 CE LYS A 27 -7.231 9.976 6.996 1.00 0.00 C ATOM 439 NZ LYS A 27 -6.655 8.952 7.909 1.00 0.00 N ATOM 0 H LYS A 27 -5.902 15.682 5.318 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.478 13.551 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.390 13.376 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.103 13.730 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.729 11.644 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.172 11.382 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.254 10.493 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.995 11.689 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.055 10.485 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.646 9.485 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.395 8.274 8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.885 8.448 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.281 9.417 8.761 1.00 0.00 H new ATOM 453 N ASP A 28 -8.405 14.895 3.388 1.00 0.00 N ATOM 454 CA ASP A 28 -9.697 14.872 2.708 1.00 0.00 C ATOM 455 C ASP A 28 -9.551 14.371 1.275 1.00 0.00 C ATOM 456 O ASP A 28 -10.377 13.596 0.791 1.00 0.00 O ATOM 457 CB ASP A 28 -10.323 16.268 2.710 1.00 0.00 C ATOM 458 CG ASP A 28 -11.748 16.263 2.193 1.00 0.00 C ATOM 459 OD1 ASP A 28 -11.938 16.054 0.977 1.00 0.00 O ATOM 460 OD2 ASP A 28 -12.675 16.467 3.006 1.00 0.00 O ATOM 0 H ASP A 28 -8.189 15.777 3.853 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.350 14.187 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.309 16.668 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.719 16.935 2.095 1.00 0.00 H new ATOM 465 N ASN A 29 -8.493 14.813 0.600 1.00 0.00 N ATOM 466 CA ASN A 29 -8.244 14.399 -0.776 1.00 0.00 C ATOM 467 C ASN A 29 -7.654 12.995 -0.812 1.00 0.00 C ATOM 468 O ASN A 29 -8.136 12.129 -1.544 1.00 0.00 O ATOM 469 CB ASN A 29 -7.301 15.385 -1.463 1.00 0.00 C ATOM 470 CG ASN A 29 -7.397 15.318 -2.975 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.015 14.410 -3.530 1.00 0.00 O ATOM 472 ND2 ASN A 29 -6.781 16.283 -3.650 1.00 0.00 N ATOM 0 H ASN A 29 -7.798 15.455 0.982 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.193 14.390 -1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.533 16.397 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.276 15.177 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.809 16.290 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.280 17.016 -3.148 1.00 0.00 H new ATOM 479 N LEU A 30 -6.620 12.767 -0.008 1.00 0.00 N ATOM 480 CA LEU A 30 -5.981 11.458 0.058 1.00 0.00 C ATOM 481 C LEU A 30 -7.009 10.393 0.413 1.00 0.00 C ATOM 482 O LEU A 30 -6.885 9.239 0.010 1.00 0.00 O ATOM 483 CB LEU A 30 -4.862 11.460 1.101 1.00 0.00 C ATOM 484 CG LEU A 30 -3.796 10.366 0.939 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.388 8.995 1.229 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.181 10.392 -0.456 1.00 0.00 C ATOM 0 H LEU A 30 -6.208 13.470 0.605 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.552 11.234 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.367 12.431 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.311 11.360 2.089 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.004 10.566 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.618 8.233 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.766 8.971 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.205 8.797 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.431 9.606 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.960 10.229 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.712 11.361 -0.629 1.00 0.00 H new ATOM 498 N HIS A 31 -8.027 10.793 1.173 1.00 0.00 N ATOM 499 CA HIS A 31 -9.082 9.874 1.586 1.00 0.00 C ATOM 500 C HIS A 31 -9.561 9.030 0.412 1.00 0.00 C ATOM 501 O HIS A 31 -9.736 7.822 0.542 1.00 0.00 O ATOM 502 CB HIS A 31 -10.255 10.650 2.190 1.00 0.00 C ATOM 503 CG HIS A 31 -10.787 10.046 3.453 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.567 8.733 3.811 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.533 10.584 4.447 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.155 8.489 4.968 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.747 9.596 5.375 1.00 0.00 N ATOM 0 H HIS A 31 -8.142 11.747 1.514 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.672 9.205 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.937 11.673 2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.059 10.705 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.892 11.601 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.152 7.545 5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.278 9.700 6.240 1.00 0.00 H new ATOM 516 N ASP A 32 -9.755 9.671 -0.736 1.00 0.00 N ATOM 517 CA ASP A 32 -10.199 8.968 -1.934 1.00 0.00 C ATOM 518 C ASP A 32 -9.094 8.058 -2.461 1.00 0.00 C ATOM 519 O ASP A 32 -9.359 7.053 -3.121 1.00 0.00 O ATOM 520 CB ASP A 32 -10.621 9.969 -3.012 1.00 0.00 C ATOM 521 CG ASP A 32 -12.128 10.069 -3.149 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.810 10.197 -2.110 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.625 10.018 -4.293 1.00 0.00 O ATOM 0 H ASP A 32 -9.612 10.673 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.059 8.352 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.215 10.951 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.191 9.672 -3.968 1.00 0.00 H new ATOM 528 N VAL A 33 -7.857 8.423 -2.157 1.00 0.00 N ATOM 529 CA VAL A 33 -6.695 7.659 -2.580 1.00 0.00 C ATOM 530 C VAL A 33 -6.425 6.506 -1.622 1.00 0.00 C ATOM 531 O VAL A 33 -6.494 5.342 -2.013 1.00 0.00 O ATOM 532 CB VAL A 33 -5.465 8.582 -2.675 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.162 7.849 -2.407 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.417 9.226 -4.037 1.00 0.00 C ATOM 0 H VAL A 33 -7.632 9.255 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.897 7.237 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.571 9.343 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.329 8.547 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.184 7.423 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.037 7.050 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.546 9.878 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.349 8.453 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.322 9.813 -4.194 1.00 0.00 H new ATOM 544 N ASP A 34 -6.134 6.825 -0.365 1.00 0.00 N ATOM 545 CA ASP A 34 -5.876 5.787 0.622 1.00 0.00 C ATOM 546 C ASP A 34 -7.090 4.866 0.730 1.00 0.00 C ATOM 547 O ASP A 34 -6.961 3.706 1.118 1.00 0.00 O ATOM 548 CB ASP A 34 -5.501 6.395 1.982 1.00 0.00 C ATOM 549 CG ASP A 34 -5.793 5.469 3.150 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.927 4.628 3.472 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.887 5.584 3.740 1.00 0.00 O ATOM 0 H ASP A 34 -6.072 7.780 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.022 5.193 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.440 6.645 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.048 7.327 2.120 1.00 0.00 H new ATOM 556 N ASN A 35 -8.266 5.373 0.343 1.00 0.00 N ATOM 557 CA ASN A 35 -9.473 4.557 0.363 1.00 0.00 C ATOM 558 C ASN A 35 -9.254 3.364 -0.548 1.00 0.00 C ATOM 559 O ASN A 35 -9.596 2.230 -0.213 1.00 0.00 O ATOM 560 CB ASN A 35 -10.694 5.357 -0.101 1.00 0.00 C ATOM 561 CG ASN A 35 -11.549 5.838 1.058 1.00 0.00 C ATOM 562 OD1 ASN A 35 -12.776 5.873 0.964 1.00 0.00 O ATOM 563 ND2 ASN A 35 -10.906 6.213 2.159 1.00 0.00 N ATOM 0 H ASN A 35 -8.402 6.330 0.018 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.668 4.228 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.361 6.216 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.300 4.738 -0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.431 6.546 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.888 6.168 2.195 1.00 0.00 H new ATOM 570 N HIS A 36 -8.626 3.634 -1.691 1.00 0.00 N ATOM 571 CA HIS A 36 -8.295 2.590 -2.643 1.00 0.00 C ATOM 572 C HIS A 36 -7.332 1.629 -1.974 1.00 0.00 C ATOM 573 O HIS A 36 -7.538 0.416 -1.974 1.00 0.00 O ATOM 574 CB HIS A 36 -7.659 3.194 -3.900 1.00 0.00 C ATOM 575 CG HIS A 36 -8.650 3.544 -4.967 1.00 0.00 C ATOM 576 ND1 HIS A 36 -10.009 3.348 -4.830 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.472 4.085 -6.196 1.00 0.00 C ATOM 578 CE1 HIS A 36 -10.623 3.752 -5.928 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.714 4.205 -6.772 1.00 0.00 N ATOM 0 H HIS A 36 -8.338 4.570 -1.975 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.199 2.063 -2.948 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.106 4.091 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.936 2.487 -4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.530 4.369 -6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.688 3.718 -6.105 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.903 4.583 -7.701 1.00 0.00 H new ATOM 588 N LEU A 37 -6.290 2.195 -1.371 1.00 0.00 N ATOM 589 CA LEU A 37 -5.301 1.396 -0.656 1.00 0.00 C ATOM 590 C LEU A 37 -5.974 0.546 0.420 1.00 0.00 C ATOM 591 O LEU A 37 -6.026 -0.679 0.321 1.00 0.00 O ATOM 592 CB LEU A 37 -4.258 2.305 -0.001 1.00 0.00 C ATOM 593 CG LEU A 37 -2.936 1.637 0.388 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.122 0.156 0.697 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.910 1.827 -0.715 1.00 0.00 C ATOM 0 H LEU A 37 -6.110 3.199 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.811 0.740 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.040 3.126 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.698 2.744 0.895 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.574 2.117 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.162 -0.282 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.820 0.042 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.517 -0.352 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.974 1.348 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.279 1.378 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.739 2.892 -0.873 1.00 0.00 H new ATOM 607 N GLN A 38 -6.482 1.213 1.454 1.00 0.00 N ATOM 608 CA GLN A 38 -7.150 0.536 2.563 1.00 0.00 C ATOM 609 C GLN A 38 -8.155 -0.493 2.058 1.00 0.00 C ATOM 610 O GLN A 38 -8.222 -1.611 2.570 1.00 0.00 O ATOM 611 CB GLN A 38 -7.857 1.556 3.456 1.00 0.00 C ATOM 612 CG GLN A 38 -6.993 2.070 4.596 1.00 0.00 C ATOM 613 CD GLN A 38 -7.813 2.586 5.761 1.00 0.00 C ATOM 614 OE1 GLN A 38 -8.307 1.811 6.581 1.00 0.00 O ATOM 615 NE2 GLN A 38 -7.964 3.903 5.842 1.00 0.00 N ATOM 0 H GLN A 38 -6.443 2.228 1.547 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.389 0.014 3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.178 2.400 2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.757 1.102 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.340 1.269 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.349 2.869 4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.538 4.509 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.506 4.308 6.605 1.00 0.00 H new ATOM 624 N ASN A 39 -8.932 -0.112 1.050 1.00 0.00 N ATOM 625 CA ASN A 39 -9.928 -1.011 0.481 1.00 0.00 C ATOM 626 C ASN A 39 -9.260 -2.253 -0.096 1.00 0.00 C ATOM 627 O ASN A 39 -9.859 -3.327 -0.146 1.00 0.00 O ATOM 628 CB ASN A 39 -10.738 -0.298 -0.604 1.00 0.00 C ATOM 629 CG ASN A 39 -11.893 -1.139 -1.112 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.790 -1.506 -0.353 1.00 0.00 O ATOM 631 ND2 ASN A 39 -11.875 -1.452 -2.402 1.00 0.00 N ATOM 0 H ASN A 39 -8.892 0.808 0.612 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.605 -1.317 1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.123 0.641 -0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.082 -0.047 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.624 -2.018 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.112 -1.126 -2.995 1.00 0.00 H new ATOM 638 N VAL A 40 -8.010 -2.101 -0.523 1.00 0.00 N ATOM 639 CA VAL A 40 -7.258 -3.213 -1.084 1.00 0.00 C ATOM 640 C VAL A 40 -6.782 -4.150 0.022 1.00 0.00 C ATOM 641 O VAL A 40 -6.839 -5.371 -0.120 1.00 0.00 O ATOM 642 CB VAL A 40 -6.046 -2.715 -1.900 1.00 0.00 C ATOM 643 CG1 VAL A 40 -5.149 -3.871 -2.311 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.512 -1.937 -3.121 1.00 0.00 C ATOM 0 H VAL A 40 -7.499 -1.219 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.925 -3.757 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.462 -2.049 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.304 -3.490 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.783 -4.382 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.716 -4.572 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.645 -1.593 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.123 -2.582 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.102 -1.078 -2.802 1.00 0.00 H new ATOM 654 N ILE A 41 -6.319 -3.570 1.128 1.00 0.00 N ATOM 655 CA ILE A 41 -5.839 -4.354 2.262 1.00 0.00 C ATOM 656 C ILE A 41 -6.827 -5.458 2.626 1.00 0.00 C ATOM 657 O ILE A 41 -6.429 -6.562 3.001 1.00 0.00 O ATOM 658 CB ILE A 41 -5.597 -3.468 3.501 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.725 -2.263 3.140 1.00 0.00 C ATOM 660 CG2 ILE A 41 -4.951 -4.278 4.617 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.453 -2.633 2.405 1.00 0.00 C ATOM 0 H ILE A 41 -6.267 -2.560 1.262 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.893 -4.802 1.956 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.561 -3.101 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.305 -1.577 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.464 -1.727 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.787 -3.637 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.607 -5.103 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.996 -4.674 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.886 -1.729 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.852 -3.294 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.705 -3.142 1.475 1.00 0.00 H new ATOM 673 N GLU A 42 -8.115 -5.156 2.508 1.00 0.00 N ATOM 674 CA GLU A 42 -9.157 -6.127 2.818 1.00 0.00 C ATOM 675 C GLU A 42 -9.208 -7.208 1.753 1.00 0.00 C ATOM 676 O GLU A 42 -9.563 -8.353 2.031 1.00 0.00 O ATOM 677 CB GLU A 42 -10.517 -5.430 2.954 1.00 0.00 C ATOM 678 CG GLU A 42 -11.168 -5.071 1.625 1.00 0.00 C ATOM 679 CD GLU A 42 -12.415 -5.886 1.345 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.498 -7.032 1.834 1.00 0.00 O ATOM 681 OE2 GLU A 42 -13.310 -5.378 0.636 1.00 0.00 O ATOM 0 H GLU A 42 -8.462 -4.248 2.200 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.920 -6.599 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.191 -6.079 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.390 -4.521 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.424 -4.011 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.450 -5.225 0.820 1.00 0.00 H new ATOM 688 N ASP A 43 -8.830 -6.844 0.540 1.00 0.00 N ATOM 689 CA ASP A 43 -8.811 -7.794 -0.551 1.00 0.00 C ATOM 690 C ASP A 43 -7.508 -8.575 -0.535 1.00 0.00 C ATOM 691 O ASP A 43 -7.456 -9.710 -0.990 1.00 0.00 O ATOM 692 CB ASP A 43 -8.990 -7.082 -1.894 1.00 0.00 C ATOM 693 CG ASP A 43 -10.434 -6.709 -2.165 1.00 0.00 C ATOM 694 OD1 ASP A 43 -11.223 -6.649 -1.198 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.777 -6.477 -3.343 1.00 0.00 O ATOM 0 H ASP A 43 -8.534 -5.901 0.289 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.642 -8.488 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.376 -6.181 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.628 -7.727 -2.695 1.00 0.00 H new ATOM 700 N ILE A 44 -6.455 -7.964 0.001 1.00 0.00 N ATOM 701 CA ILE A 44 -5.163 -8.628 0.078 1.00 0.00 C ATOM 702 C ILE A 44 -5.049 -9.465 1.345 1.00 0.00 C ATOM 703 O ILE A 44 -4.726 -10.648 1.284 1.00 0.00 O ATOM 704 CB ILE A 44 -3.986 -7.635 0.024 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.204 -6.599 -1.087 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.684 -8.393 -0.191 1.00 0.00 C ATOM 707 CD1 ILE A 44 -2.923 -6.004 -1.640 1.00 0.00 C ATOM 0 H ILE A 44 -6.473 -7.019 0.384 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.105 -9.276 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.928 -7.101 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.756 -7.067 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.829 -5.794 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.854 -7.687 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.529 -9.091 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.735 -8.944 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.164 -5.282 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.378 -5.504 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.305 -6.798 -2.059 1.00 0.00 H new ATOM 719 N HIS A 45 -5.313 -8.845 2.490 1.00 0.00 N ATOM 720 CA HIS A 45 -5.232 -9.543 3.767 1.00 0.00 C ATOM 721 C HIS A 45 -6.246 -10.686 3.839 1.00 0.00 C ATOM 722 O HIS A 45 -6.024 -11.677 4.534 1.00 0.00 O ATOM 723 CB HIS A 45 -5.437 -8.558 4.929 1.00 0.00 C ATOM 724 CG HIS A 45 -6.833 -8.526 5.473 1.00 0.00 C ATOM 725 ND1 HIS A 45 -7.121 -8.546 6.821 1.00 0.00 N ATOM 726 CD2 HIS A 45 -8.024 -8.478 4.837 1.00 0.00 C ATOM 727 CE1 HIS A 45 -8.430 -8.513 6.990 1.00 0.00 C ATOM 728 NE2 HIS A 45 -9.002 -8.470 5.801 1.00 0.00 N ATOM 0 H HIS A 45 -5.584 -7.864 2.560 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.236 -9.978 3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.751 -8.818 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.168 -7.557 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.178 -8.451 3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.945 -8.520 7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.006 -8.436 5.627 1.00 0.00 H new ATOM 737 N ASP A 46 -7.357 -10.549 3.116 1.00 0.00 N ATOM 738 CA ASP A 46 -8.387 -11.580 3.108 1.00 0.00 C ATOM 739 C ASP A 46 -8.077 -12.625 2.056 1.00 0.00 C ATOM 740 O ASP A 46 -8.284 -13.821 2.270 1.00 0.00 O ATOM 741 CB ASP A 46 -9.763 -10.964 2.850 1.00 0.00 C ATOM 742 CG ASP A 46 -10.892 -11.941 3.110 1.00 0.00 C ATOM 743 OD1 ASP A 46 -10.704 -12.863 3.930 1.00 0.00 O ATOM 744 OD2 ASP A 46 -11.967 -11.783 2.492 1.00 0.00 O ATOM 0 H ASP A 46 -7.564 -9.738 2.532 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.400 -12.060 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.891 -10.088 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.816 -10.619 1.817 1.00 0.00 H new ATOM 749 N PHE A 47 -7.575 -12.170 0.920 1.00 0.00 N ATOM 750 CA PHE A 47 -7.232 -13.084 -0.164 1.00 0.00 C ATOM 751 C PHE A 47 -5.908 -13.788 0.122 1.00 0.00 C ATOM 752 O PHE A 47 -5.654 -14.878 -0.391 1.00 0.00 O ATOM 753 CB PHE A 47 -7.164 -12.351 -1.504 1.00 0.00 C ATOM 754 CG PHE A 47 -8.512 -11.951 -2.047 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.508 -11.473 -1.207 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.781 -12.055 -3.402 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.743 -11.109 -1.710 1.00 0.00 C ATOM 758 CE2 PHE A 47 -10.015 -11.692 -3.910 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.996 -11.218 -3.062 1.00 0.00 C ATOM 0 H PHE A 47 -7.396 -11.185 0.722 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.020 -13.835 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.550 -11.458 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.664 -12.990 -2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.316 -11.384 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.017 -12.424 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.510 -10.739 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.211 -11.779 -4.968 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.960 -10.933 -3.456 1.00 0.00 H new ATOM 769 N MET A 48 -5.066 -13.168 0.951 1.00 0.00 N ATOM 770 CA MET A 48 -3.774 -13.752 1.307 1.00 0.00 C ATOM 771 C MET A 48 -3.954 -15.178 1.812 1.00 0.00 C ATOM 772 O MET A 48 -3.134 -16.056 1.543 1.00 0.00 O ATOM 773 CB MET A 48 -3.077 -12.911 2.381 1.00 0.00 C ATOM 774 CG MET A 48 -1.589 -12.720 2.132 1.00 0.00 C ATOM 775 SD MET A 48 -1.249 -11.460 0.888 1.00 0.00 S ATOM 776 CE MET A 48 -1.003 -12.476 -0.566 1.00 0.00 C ATOM 0 H MET A 48 -5.256 -12.265 1.386 1.00 0.00 H new ATOM 0 HA MET A 48 -3.153 -13.766 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.557 -11.934 2.434 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.217 -13.387 3.351 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.101 -12.443 3.066 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.153 -13.667 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.066 -12.199 -1.049 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.964 -13.525 -0.274 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.829 -12.323 -1.261 1.00 0.00 H new ATOM 786 N GLN A 49 -5.040 -15.396 2.545 1.00 0.00 N ATOM 787 CA GLN A 49 -5.344 -16.711 3.091 1.00 0.00 C ATOM 788 C GLN A 49 -5.781 -17.677 1.990 1.00 0.00 C ATOM 789 O GLN A 49 -5.880 -18.883 2.215 1.00 0.00 O ATOM 790 CB GLN A 49 -6.437 -16.599 4.157 1.00 0.00 C ATOM 791 CG GLN A 49 -5.900 -16.593 5.580 1.00 0.00 C ATOM 792 CD GLN A 49 -5.032 -17.800 5.881 1.00 0.00 C ATOM 793 OE1 GLN A 49 -5.421 -18.939 5.621 1.00 0.00 O ATOM 794 NE2 GLN A 49 -3.849 -17.555 6.431 1.00 0.00 N ATOM 0 H GLN A 49 -5.725 -14.676 2.775 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.437 -17.106 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.006 -15.684 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.131 -17.432 4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.321 -15.684 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.735 -16.567 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.568 -16.595 6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.221 -18.327 6.655 1.00 0.00 H new ATOM 803 N GLY A 50 -6.038 -17.140 0.801 1.00 0.00 N ATOM 804 CA GLY A 50 -6.457 -17.968 -0.313 1.00 0.00 C ATOM 805 C GLY A 50 -7.834 -17.603 -0.829 1.00 0.00 C ATOM 806 O GLY A 50 -8.483 -18.408 -1.497 1.00 0.00 O ATOM 0 H GLY A 50 -5.963 -16.145 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.733 -17.873 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.455 -19.013 -0.004 1.00 0.00 H new ATOM 810 N GLY A 51 -8.280 -16.384 -0.535 1.00 0.00 N ATOM 811 CA GLY A 51 -9.582 -15.944 -1.004 1.00 0.00 C ATOM 812 C GLY A 51 -9.512 -15.352 -2.399 1.00 0.00 C ATOM 813 O GLY A 51 -10.323 -14.501 -2.763 1.00 0.00 O ATOM 0 H GLY A 51 -7.766 -15.697 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.272 -16.788 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.984 -15.202 -0.315 1.00 0.00 H new ATOM 817 N GLY A 52 -8.532 -15.803 -3.179 1.00 0.00 N ATOM 818 CA GLY A 52 -8.360 -15.305 -4.530 1.00 0.00 C ATOM 819 C GLY A 52 -7.048 -14.565 -4.703 1.00 0.00 C ATOM 820 O GLY A 52 -6.937 -13.677 -5.547 1.00 0.00 O ATOM 0 H GLY A 52 -7.852 -16.508 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.400 -16.139 -5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.187 -14.639 -4.778 1.00 0.00 H new ATOM 824 N SER A 53 -6.052 -14.928 -3.896 1.00 0.00 N ATOM 825 CA SER A 53 -4.740 -14.288 -3.954 1.00 0.00 C ATOM 826 C SER A 53 -3.844 -14.936 -5.008 1.00 0.00 C ATOM 827 O SER A 53 -2.636 -15.060 -4.816 1.00 0.00 O ATOM 828 CB SER A 53 -4.063 -14.347 -2.581 1.00 0.00 C ATOM 829 OG SER A 53 -2.700 -13.969 -2.664 1.00 0.00 O ATOM 0 H SER A 53 -6.130 -15.663 -3.193 1.00 0.00 H new ATOM 0 HA SER A 53 -4.891 -13.247 -4.238 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.584 -13.687 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.139 -15.357 -2.178 1.00 0.00 H new ATOM 0 HG SER A 53 -2.482 -13.732 -3.590 1.00 0.00 H new ATOM 835 N GLY A 54 -4.438 -15.345 -6.123 1.00 0.00 N ATOM 836 CA GLY A 54 -3.668 -15.966 -7.184 1.00 0.00 C ATOM 837 C GLY A 54 -3.493 -15.056 -8.387 1.00 0.00 C ATOM 838 O GLY A 54 -2.468 -15.107 -9.066 1.00 0.00 O ATOM 0 H GLY A 54 -5.437 -15.258 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.687 -16.247 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.163 -16.885 -7.497 1.00 0.00 H new ATOM 842 N GLY A 55 -4.496 -14.222 -8.653 1.00 0.00 N ATOM 843 CA GLY A 55 -4.423 -13.312 -9.783 1.00 0.00 C ATOM 844 C GLY A 55 -4.887 -11.905 -9.443 1.00 0.00 C ATOM 845 O GLY A 55 -5.025 -11.061 -10.327 1.00 0.00 O ATOM 0 H GLY A 55 -5.356 -14.161 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.396 -13.272 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.033 -13.703 -10.597 1.00 0.00 H new ATOM 849 N LYS A 56 -5.132 -11.652 -8.161 1.00 0.00 N ATOM 850 CA LYS A 56 -5.582 -10.340 -7.706 1.00 0.00 C ATOM 851 C LYS A 56 -4.404 -9.429 -7.387 1.00 0.00 C ATOM 852 O LYS A 56 -4.425 -8.238 -7.690 1.00 0.00 O ATOM 853 CB LYS A 56 -6.461 -10.487 -6.463 1.00 0.00 C ATOM 854 CG LYS A 56 -5.754 -11.166 -5.299 1.00 0.00 C ATOM 855 CD LYS A 56 -5.066 -10.160 -4.391 1.00 0.00 C ATOM 856 CE LYS A 56 -6.020 -9.604 -3.350 1.00 0.00 C ATOM 857 NZ LYS A 56 -6.147 -8.127 -3.460 1.00 0.00 N ATOM 0 H LYS A 56 -5.026 -12.341 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.158 -9.889 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.799 -9.500 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.351 -11.061 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.477 -11.742 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.018 -11.872 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.221 -10.636 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.664 -9.343 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.001 -10.064 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.665 -9.866 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.480 -7.739 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.221 -7.715 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.829 -7.892 -4.209 1.00 0.00 H new ATOM 871 N LEU A 57 -3.390 -9.998 -6.752 1.00 0.00 N ATOM 872 CA LEU A 57 -2.206 -9.244 -6.361 1.00 0.00 C ATOM 873 C LEU A 57 -1.489 -8.631 -7.559 1.00 0.00 C ATOM 874 O LEU A 57 -0.604 -7.799 -7.386 1.00 0.00 O ATOM 875 CB LEU A 57 -1.254 -10.145 -5.578 1.00 0.00 C ATOM 876 CG LEU A 57 0.076 -9.503 -5.185 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.161 -8.241 -4.370 1.00 0.00 C ATOM 878 CD2 LEU A 57 0.927 -10.493 -4.407 1.00 0.00 C ATOM 0 H LEU A 57 -3.363 -10.985 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.535 -8.419 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.759 -10.480 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.048 -11.034 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 57 0.611 -9.225 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.797 -7.798 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.736 -7.529 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.714 -8.491 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.872 -10.024 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.397 -10.797 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.123 -11.369 -5.025 1.00 0.00 H new ATOM 890 N GLN A 58 -1.856 -9.034 -8.770 1.00 0.00 N ATOM 891 CA GLN A 58 -1.218 -8.487 -9.960 1.00 0.00 C ATOM 892 C GLN A 58 -1.896 -7.195 -10.405 1.00 0.00 C ATOM 893 O GLN A 58 -1.233 -6.182 -10.628 1.00 0.00 O ATOM 894 CB GLN A 58 -1.219 -9.509 -11.100 1.00 0.00 C ATOM 895 CG GLN A 58 -2.608 -9.947 -11.528 1.00 0.00 C ATOM 896 CD GLN A 58 -3.157 -9.110 -12.667 1.00 0.00 C ATOM 897 OE1 GLN A 58 -2.526 -8.148 -13.106 1.00 0.00 O ATOM 898 NE2 GLN A 58 -4.340 -9.471 -13.151 1.00 0.00 N ATOM 0 H GLN A 58 -2.581 -9.728 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.184 -8.257 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.702 -9.082 -11.959 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.651 -10.386 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.578 -10.993 -11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.284 -9.883 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.828 -10.275 -12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.760 -8.944 -13.917 1.00 0.00 H new ATOM 907 N GLU A 59 -3.218 -7.232 -10.526 1.00 0.00 N ATOM 908 CA GLU A 59 -3.977 -6.059 -10.939 1.00 0.00 C ATOM 909 C GLU A 59 -4.326 -5.199 -9.732 1.00 0.00 C ATOM 910 O GLU A 59 -4.403 -3.975 -9.831 1.00 0.00 O ATOM 911 CB GLU A 59 -5.253 -6.479 -11.675 1.00 0.00 C ATOM 912 CG GLU A 59 -5.202 -6.224 -13.172 1.00 0.00 C ATOM 913 CD GLU A 59 -5.806 -4.887 -13.556 1.00 0.00 C ATOM 914 OE1 GLU A 59 -6.980 -4.644 -13.204 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.107 -4.084 -14.207 1.00 0.00 O ATOM 0 H GLU A 59 -3.785 -8.060 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.359 -5.472 -11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.430 -7.540 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.101 -5.941 -11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.166 -6.260 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.734 -7.021 -13.691 1.00 0.00 H new ATOM 922 N MET A 60 -4.527 -5.848 -8.592 1.00 0.00 N ATOM 923 CA MET A 60 -4.857 -5.137 -7.368 1.00 0.00 C ATOM 924 C MET A 60 -3.619 -4.462 -6.794 1.00 0.00 C ATOM 925 O MET A 60 -3.717 -3.421 -6.144 1.00 0.00 O ATOM 926 CB MET A 60 -5.460 -6.084 -6.330 1.00 0.00 C ATOM 927 CG MET A 60 -5.983 -5.364 -5.098 1.00 0.00 C ATOM 928 SD MET A 60 -7.677 -4.779 -5.300 1.00 0.00 S ATOM 929 CE MET A 60 -8.566 -6.330 -5.407 1.00 0.00 C ATOM 0 H MET A 60 -4.467 -6.861 -8.492 1.00 0.00 H new ATOM 0 HA MET A 60 -5.597 -4.375 -7.613 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.274 -6.645 -6.789 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.705 -6.809 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.935 -6.036 -4.242 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.335 -4.517 -4.875 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.605 -6.136 -5.675 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.106 -6.961 -6.168 1.00 0.00 H new ATOM 0 HE3 MET A 60 -8.529 -6.838 -4.443 1.00 0.00 H new ATOM 939 N MET A 61 -2.451 -5.054 -7.039 1.00 0.00 N ATOM 940 CA MET A 61 -1.201 -4.486 -6.541 1.00 0.00 C ATOM 941 C MET A 61 -1.084 -3.021 -6.952 1.00 0.00 C ATOM 942 O MET A 61 -0.649 -2.177 -6.168 1.00 0.00 O ATOM 943 CB MET A 61 -0.004 -5.289 -7.068 1.00 0.00 C ATOM 944 CG MET A 61 1.266 -4.475 -7.264 1.00 0.00 C ATOM 945 SD MET A 61 2.713 -5.506 -7.570 1.00 0.00 S ATOM 946 CE MET A 61 3.460 -4.643 -8.949 1.00 0.00 C ATOM 0 H MET A 61 -2.345 -5.917 -7.573 1.00 0.00 H new ATOM 0 HA MET A 61 -1.202 -4.541 -5.452 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.205 -6.103 -6.374 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.279 -5.744 -8.019 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.129 -3.791 -8.102 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.441 -3.864 -6.379 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.369 -5.162 -9.254 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.760 -4.617 -9.784 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.707 -3.624 -8.650 1.00 0.00 H new ATOM 956 N LYS A 62 -1.480 -2.727 -8.186 1.00 0.00 N ATOM 957 CA LYS A 62 -1.425 -1.365 -8.699 1.00 0.00 C ATOM 958 C LYS A 62 -2.343 -0.445 -7.898 1.00 0.00 C ATOM 959 O LYS A 62 -2.137 0.767 -7.856 1.00 0.00 O ATOM 960 CB LYS A 62 -1.814 -1.339 -10.180 1.00 0.00 C ATOM 961 CG LYS A 62 -0.743 -0.741 -11.079 1.00 0.00 C ATOM 962 CD LYS A 62 0.381 -1.731 -11.339 1.00 0.00 C ATOM 963 CE LYS A 62 1.218 -1.320 -12.540 1.00 0.00 C ATOM 964 NZ LYS A 62 2.553 -1.978 -12.538 1.00 0.00 N ATOM 0 H LYS A 62 -1.842 -3.414 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.402 -1.003 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.027 -2.356 -10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.735 -0.767 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.189 -0.438 -12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.338 0.158 -10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.018 -1.800 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.038 -2.723 -11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.688 -1.577 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.347 -0.238 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.092 -1.672 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.070 -1.712 -11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.431 -3.010 -12.565 1.00 0.00 H new ATOM 978 N GLU A 63 -3.359 -1.028 -7.267 1.00 0.00 N ATOM 979 CA GLU A 63 -4.309 -0.256 -6.475 1.00 0.00 C ATOM 980 C GLU A 63 -3.666 0.275 -5.197 1.00 0.00 C ATOM 981 O GLU A 63 -4.038 1.340 -4.706 1.00 0.00 O ATOM 982 CB GLU A 63 -5.530 -1.105 -6.125 1.00 0.00 C ATOM 983 CG GLU A 63 -6.751 -0.280 -5.755 1.00 0.00 C ATOM 984 CD GLU A 63 -8.050 -1.032 -5.966 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.351 -1.936 -5.158 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.767 -0.718 -6.939 1.00 0.00 O ATOM 0 H GLU A 63 -3.544 -2.031 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.625 0.595 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.775 -1.743 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.280 -1.763 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.677 0.023 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.763 0.632 -6.352 1.00 0.00 H new ATOM 993 N PHE A 64 -2.698 -0.464 -4.660 1.00 0.00 N ATOM 994 CA PHE A 64 -2.020 -0.043 -3.443 1.00 0.00 C ATOM 995 C PHE A 64 -0.848 0.873 -3.782 1.00 0.00 C ATOM 996 O PHE A 64 -0.493 1.762 -3.010 1.00 0.00 O ATOM 997 CB PHE A 64 -1.566 -1.267 -2.625 1.00 0.00 C ATOM 998 CG PHE A 64 -0.278 -1.901 -3.076 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.929 -1.225 -2.969 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.278 -3.184 -3.600 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.106 -1.816 -3.378 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.898 -3.779 -4.011 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.090 -3.094 -3.900 1.00 0.00 C ATOM 0 H PHE A 64 -2.370 -1.349 -5.046 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.718 0.522 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.458 -0.967 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.354 -2.019 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.947 -0.225 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.209 -3.725 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.039 -1.280 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.885 -4.779 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.011 -3.557 -4.221 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.261 0.657 -4.954 1.00 0.00 N ATOM 1014 CA GLN A 65 0.860 1.467 -5.411 1.00 0.00 C ATOM 1015 C GLN A 65 0.362 2.767 -6.038 1.00 0.00 C ATOM 1016 O GLN A 65 1.030 3.799 -5.965 1.00 0.00 O ATOM 1017 CB GLN A 65 1.702 0.688 -6.422 1.00 0.00 C ATOM 1018 CG GLN A 65 3.010 1.374 -6.781 1.00 0.00 C ATOM 1019 CD GLN A 65 3.602 0.859 -8.077 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.040 1.062 -9.154 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.743 0.187 -7.982 1.00 0.00 N ATOM 0 H GLN A 65 -0.545 -0.075 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 65 1.480 1.711 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.919 -0.300 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.118 0.539 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.842 2.448 -6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.727 1.225 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.175 0.042 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.188 -0.184 -8.822 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.816 2.709 -6.655 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.405 3.882 -7.294 1.00 0.00 C ATOM 1032 C GLN A 66 -1.613 5.003 -6.281 1.00 0.00 C ATOM 1033 O GLN A 66 -1.429 6.179 -6.594 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.737 3.520 -7.957 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.422 4.696 -8.632 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.907 4.468 -8.833 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.719 5.368 -8.620 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.270 3.259 -9.245 1.00 0.00 N ATOM 0 H GLN A 66 -1.381 1.863 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.714 4.232 -8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.564 2.738 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.406 3.104 -7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.274 5.592 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.952 4.880 -9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.563 2.543 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.256 3.047 -9.397 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.991 4.630 -5.063 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.215 5.603 -3.998 1.00 0.00 C ATOM 1049 C VAL A 67 -0.992 6.500 -3.830 1.00 0.00 C ATOM 1050 O VAL A 67 -1.113 7.716 -3.680 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.544 4.890 -2.664 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.242 5.772 -1.454 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.998 4.443 -2.657 1.00 0.00 C ATOM 0 H VAL A 67 -2.149 3.661 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.068 6.222 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.901 4.013 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.488 5.232 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.184 6.032 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.839 6.682 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.220 3.942 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.646 5.312 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.171 3.754 -3.484 1.00 0.00 H new ATOM 1063 N LEU A 68 0.184 5.888 -3.873 1.00 0.00 N ATOM 1064 CA LEU A 68 1.436 6.620 -3.742 1.00 0.00 C ATOM 1065 C LEU A 68 1.704 7.467 -4.986 1.00 0.00 C ATOM 1066 O LEU A 68 2.631 8.272 -5.004 1.00 0.00 O ATOM 1067 CB LEU A 68 2.579 5.646 -3.490 1.00 0.00 C ATOM 1068 CG LEU A 68 2.920 5.460 -2.011 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.199 4.246 -1.436 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.427 5.335 -1.828 1.00 0.00 C ATOM 0 H LEU A 68 0.297 4.882 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 68 1.360 7.298 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.319 4.678 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.466 5.999 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 68 2.579 6.340 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.457 4.134 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.122 4.383 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.501 3.352 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.655 5.203 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.791 4.474 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.914 6.239 -2.194 1.00 0.00 H new ATOM 1082 N ASP A 69 0.873 7.301 -6.016 1.00 0.00 N ATOM 1083 CA ASP A 69 1.016 8.079 -7.239 1.00 0.00 C ATOM 1084 C ASP A 69 0.555 9.508 -6.979 1.00 0.00 C ATOM 1085 O ASP A 69 1.314 10.461 -7.158 1.00 0.00 O ATOM 1086 CB ASP A 69 0.202 7.457 -8.374 1.00 0.00 C ATOM 1087 CG ASP A 69 0.834 7.686 -9.733 1.00 0.00 C ATOM 1088 OD1 ASP A 69 2.079 7.657 -9.821 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.084 7.894 -10.710 1.00 0.00 O ATOM 0 H ASP A 69 0.099 6.637 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 69 2.064 8.083 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.101 6.386 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.804 7.878 -8.369 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.686 9.643 -6.510 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.242 10.952 -6.170 1.00 0.00 C ATOM 1096 C GLU A 70 -0.302 11.649 -5.204 1.00 0.00 C ATOM 1097 O GLU A 70 -0.099 12.859 -5.252 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.610 10.778 -5.492 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.590 11.915 -5.740 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.619 12.373 -7.187 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -2.819 13.262 -7.546 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.442 11.840 -7.961 1.00 0.00 O ATOM 0 H GLU A 70 -1.324 8.862 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.360 11.542 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.058 9.848 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.458 10.675 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.590 11.595 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.326 12.759 -5.103 1.00 0.00 H new ATOM 1109 N LEU A 71 0.247 10.837 -4.319 1.00 0.00 N ATOM 1110 CA LEU A 71 1.159 11.275 -3.283 1.00 0.00 C ATOM 1111 C LEU A 71 2.551 11.589 -3.831 1.00 0.00 C ATOM 1112 O LEU A 71 2.960 12.747 -3.876 1.00 0.00 O ATOM 1113 CB LEU A 71 1.214 10.165 -2.241 1.00 0.00 C ATOM 1114 CG LEU A 71 2.413 10.166 -1.301 1.00 0.00 C ATOM 1115 CD1 LEU A 71 2.007 10.677 0.068 1.00 0.00 C ATOM 1116 CD2 LEU A 71 2.973 8.761 -1.191 1.00 0.00 C ATOM 0 H LEU A 71 0.066 9.833 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 71 0.802 12.206 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.308 10.221 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.191 9.208 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 71 3.181 10.827 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.873 10.672 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.624 11.694 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.231 10.033 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.831 8.763 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.206 8.093 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.286 8.416 -2.176 1.00 0.00 H new ATOM 1128 N ASN A 72 3.279 10.550 -4.225 1.00 0.00 N ATOM 1129 CA ASN A 72 4.632 10.713 -4.751 1.00 0.00 C ATOM 1130 C ASN A 72 4.689 11.790 -5.833 1.00 0.00 C ATOM 1131 O ASN A 72 5.727 12.418 -6.041 1.00 0.00 O ATOM 1132 CB ASN A 72 5.154 9.376 -5.296 1.00 0.00 C ATOM 1133 CG ASN A 72 4.704 9.096 -6.720 1.00 0.00 C ATOM 1134 OD1 ASN A 72 3.637 9.537 -7.145 1.00 0.00 O ATOM 1135 ND2 ASN A 72 5.520 8.359 -7.465 1.00 0.00 N ATOM 0 H ASN A 72 2.955 9.583 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 72 5.272 11.037 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.243 9.376 -5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.813 8.568 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.271 8.139 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.396 8.013 -7.073 1.00 0.00 H new ATOM 1142 N ASN A 73 3.573 11.994 -6.517 1.00 0.00 N ATOM 1143 CA ASN A 73 3.505 12.994 -7.573 1.00 0.00 C ATOM 1144 C ASN A 73 3.035 14.340 -7.031 1.00 0.00 C ATOM 1145 O ASN A 73 2.673 15.232 -7.799 1.00 0.00 O ATOM 1146 CB ASN A 73 2.568 12.525 -8.687 1.00 0.00 C ATOM 1147 CG ASN A 73 2.977 13.052 -10.048 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.768 14.224 -10.362 1.00 0.00 O ATOM 1149 ND2 ASN A 73 3.566 12.186 -10.866 1.00 0.00 N ATOM 0 H ASN A 73 2.705 11.482 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 73 4.509 13.122 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.555 11.435 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.552 12.851 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.864 12.484 -11.795 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.720 11.224 -10.565 1.00 0.00 H new ATOM 1156 N HIS A 74 3.035 14.489 -5.707 1.00 0.00 N ATOM 1157 CA HIS A 74 2.598 15.737 -5.093 1.00 0.00 C ATOM 1158 C HIS A 74 3.269 15.986 -3.748 1.00 0.00 C ATOM 1159 O HIS A 74 2.740 16.733 -2.927 1.00 0.00 O ATOM 1160 CB HIS A 74 1.079 15.748 -4.937 1.00 0.00 C ATOM 1161 CG HIS A 74 0.355 16.075 -6.206 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.359 17.333 -6.770 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.394 15.300 -7.027 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.357 17.318 -7.880 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.824 16.097 -8.059 1.00 0.00 N ATOM 0 H HIS A 74 3.329 13.769 -5.047 1.00 0.00 H new ATOM 0 HA HIS A 74 2.899 16.546 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.750 14.772 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.805 16.475 -4.173 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.612 14.251 -6.894 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.531 18.162 -8.531 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.409 15.794 -8.838 1.00 0.00 H new ATOM 1174 N LEU A 75 4.449 15.394 -3.534 1.00 0.00 N ATOM 1175 CA LEU A 75 5.190 15.612 -2.289 1.00 0.00 C ATOM 1176 C LEU A 75 5.231 17.109 -1.997 1.00 0.00 C ATOM 1177 O LEU A 75 6.076 17.830 -2.528 1.00 0.00 O ATOM 1178 CB LEU A 75 6.619 15.077 -2.420 1.00 0.00 C ATOM 1179 CG LEU A 75 6.916 13.799 -1.636 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.392 13.904 -0.212 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.317 12.595 -2.341 1.00 0.00 C ATOM 0 H LEU A 75 4.906 14.768 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 75 4.693 15.084 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.824 14.892 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.311 15.853 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 75 7.997 13.669 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.615 12.983 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.871 14.744 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.314 14.061 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.537 11.693 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.237 12.720 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.746 12.507 -3.339 1.00 0.00 H new ATOM 1193 N GLN A 76 4.293 17.578 -1.188 1.00 0.00 N ATOM 1194 CA GLN A 76 4.207 18.997 -0.876 1.00 0.00 C ATOM 1195 C GLN A 76 5.489 19.500 -0.223 1.00 0.00 C ATOM 1196 O GLN A 76 6.169 20.374 -0.761 1.00 0.00 O ATOM 1197 CB GLN A 76 3.012 19.266 0.042 1.00 0.00 C ATOM 1198 CG GLN A 76 2.288 20.566 -0.269 1.00 0.00 C ATOM 1199 CD GLN A 76 1.825 20.646 -1.711 1.00 0.00 C ATOM 1200 OE1 GLN A 76 1.047 19.809 -2.172 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.300 21.655 -2.431 1.00 0.00 N ATOM 0 H GLN A 76 3.584 17.000 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 76 4.069 19.537 -1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.307 18.438 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.356 19.290 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.426 20.664 0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.950 21.406 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.942 22.325 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.023 21.760 -3.407 1.00 0.00 H new ATOM 1210 N GLY A 77 5.814 18.944 0.935 1.00 0.00 N ATOM 1211 CA GLY A 77 7.015 19.349 1.640 1.00 0.00 C ATOM 1212 C GLY A 77 7.475 18.305 2.634 1.00 0.00 C ATOM 1213 O GLY A 77 8.045 18.634 3.673 1.00 0.00 O ATOM 0 H GLY A 77 5.268 18.219 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.811 19.537 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.829 20.288 2.162 1.00 0.00 H new ATOM 1217 N GLY A 78 7.224 17.041 2.313 1.00 0.00 N ATOM 1218 CA GLY A 78 7.619 15.963 3.196 1.00 0.00 C ATOM 1219 C GLY A 78 8.138 14.753 2.449 1.00 0.00 C ATOM 1220 O GLY A 78 7.716 13.629 2.710 1.00 0.00 O ATOM 0 H GLY A 78 6.754 16.745 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.390 16.322 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.766 15.669 3.807 1.00 0.00 H new ATOM 1224 N LYS A 79 9.060 14.978 1.520 1.00 0.00 N ATOM 1225 CA LYS A 79 9.639 13.887 0.742 1.00 0.00 C ATOM 1226 C LYS A 79 10.086 12.745 1.654 1.00 0.00 C ATOM 1227 O LYS A 79 10.117 11.586 1.241 1.00 0.00 O ATOM 1228 CB LYS A 79 10.823 14.393 -0.085 1.00 0.00 C ATOM 1229 CG LYS A 79 11.950 14.971 0.755 1.00 0.00 C ATOM 1230 CD LYS A 79 13.307 14.683 0.137 1.00 0.00 C ATOM 1231 CE LYS A 79 13.636 13.199 0.184 1.00 0.00 C ATOM 1232 NZ LYS A 79 14.553 12.869 1.311 1.00 0.00 N ATOM 0 H LYS A 79 9.422 15.903 1.287 1.00 0.00 H new ATOM 0 HA LYS A 79 8.872 13.508 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.213 13.571 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.471 15.156 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.815 16.048 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.910 14.550 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.317 15.027 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.076 15.244 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.714 12.626 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.095 12.899 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.753 11.848 1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.443 13.396 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.104 13.132 2.212 1.00 0.00 H new ATOM 1246 N HIS A 80 10.425 13.082 2.895 1.00 0.00 N ATOM 1247 CA HIS A 80 10.863 12.086 3.865 1.00 0.00 C ATOM 1248 C HIS A 80 9.718 11.150 4.241 1.00 0.00 C ATOM 1249 O HIS A 80 9.944 9.997 4.609 1.00 0.00 O ATOM 1250 CB HIS A 80 11.411 12.770 5.118 1.00 0.00 C ATOM 1251 CG HIS A 80 10.482 13.792 5.697 1.00 0.00 C ATOM 1252 ND1 HIS A 80 9.524 13.488 6.642 1.00 0.00 N ATOM 1253 CD2 HIS A 80 10.367 15.120 5.460 1.00 0.00 C ATOM 1254 CE1 HIS A 80 8.859 14.586 6.960 1.00 0.00 C ATOM 1255 NE2 HIS A 80 9.353 15.589 6.257 1.00 0.00 N ATOM 0 H HIS A 80 10.404 14.037 3.252 1.00 0.00 H new ATOM 0 HA HIS A 80 11.655 11.494 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.621 12.013 5.873 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.359 13.249 4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.962 15.702 4.772 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.050 14.651 7.673 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.032 16.556 6.300 1.00 0.00 H new ATOM 1264 N THR A 81 8.488 11.645 4.133 1.00 0.00 N ATOM 1265 CA THR A 81 7.316 10.843 4.448 1.00 0.00 C ATOM 1266 C THR A 81 7.169 9.738 3.421 1.00 0.00 C ATOM 1267 O THR A 81 7.478 8.579 3.693 1.00 0.00 O ATOM 1268 CB THR A 81 6.062 11.729 4.479 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.903 12.312 5.759 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.769 11.002 4.148 1.00 0.00 C ATOM 0 H THR A 81 8.280 12.597 3.830 1.00 0.00 H new ATOM 0 HA THR A 81 7.438 10.393 5.433 1.00 0.00 H new ATOM 0 HB THR A 81 6.232 12.477 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.521 13.066 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.936 11.703 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.835 10.581 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.608 10.200 4.868 1.00 0.00 H new ATOM 1278 N VAL A 82 6.714 10.115 2.233 1.00 0.00 N ATOM 1279 CA VAL A 82 6.536 9.162 1.146 1.00 0.00 C ATOM 1280 C VAL A 82 7.772 8.297 0.981 1.00 0.00 C ATOM 1281 O VAL A 82 7.663 7.093 0.808 1.00 0.00 O ATOM 1282 CB VAL A 82 6.245 9.867 -0.186 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.863 8.850 -1.251 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.152 10.905 -0.006 1.00 0.00 C ATOM 0 H VAL A 82 6.461 11.075 1.998 1.00 0.00 H new ATOM 0 HA VAL A 82 5.681 8.540 1.410 1.00 0.00 H new ATOM 0 HB VAL A 82 7.148 10.380 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.660 9.365 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.683 8.147 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.972 8.308 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.957 11.397 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.242 10.418 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.472 11.647 0.726 1.00 0.00 H new ATOM 1294 N HIS A 83 8.952 8.911 1.052 1.00 0.00 N ATOM 1295 CA HIS A 83 10.196 8.161 0.922 1.00 0.00 C ATOM 1296 C HIS A 83 10.152 6.929 1.818 1.00 0.00 C ATOM 1297 O HIS A 83 10.550 5.836 1.419 1.00 0.00 O ATOM 1298 CB HIS A 83 11.394 9.039 1.290 1.00 0.00 C ATOM 1299 CG HIS A 83 12.712 8.340 1.164 1.00 0.00 C ATOM 1300 ND1 HIS A 83 12.877 7.167 0.457 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.933 8.655 1.655 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.141 6.790 0.521 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.803 7.676 1.242 1.00 0.00 N ATOM 0 H HIS A 83 9.071 9.914 1.197 1.00 0.00 H new ATOM 0 HA HIS A 83 10.308 7.845 -0.115 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.398 9.921 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.275 9.390 2.315 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.138 6.668 -0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.178 9.516 2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.561 5.907 0.062 1.00 0.00 H new ATOM 1312 N HIS A 84 9.639 7.119 3.028 1.00 0.00 N ATOM 1313 CA HIS A 84 9.508 6.029 3.982 1.00 0.00 C ATOM 1314 C HIS A 84 8.325 5.134 3.619 1.00 0.00 C ATOM 1315 O HIS A 84 8.318 3.943 3.928 1.00 0.00 O ATOM 1316 CB HIS A 84 9.336 6.577 5.399 1.00 0.00 C ATOM 1317 CG HIS A 84 10.608 7.092 5.999 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.751 8.380 6.472 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.800 6.484 6.203 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.976 8.542 6.938 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.632 7.406 6.787 1.00 0.00 N ATOM 0 H HIS A 84 9.307 8.021 3.370 1.00 0.00 H new ATOM 0 HA HIS A 84 10.419 5.432 3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.600 7.381 5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.935 5.790 6.038 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.024 9.095 6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.050 5.464 5.953 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.373 9.449 7.369 1.00 0.00 H new ATOM 1330 N ILE A 85 7.319 5.720 2.968 1.00 0.00 N ATOM 1331 CA ILE A 85 6.128 4.969 2.574 1.00 0.00 C ATOM 1332 C ILE A 85 6.336 4.268 1.229 1.00 0.00 C ATOM 1333 O ILE A 85 5.774 3.203 0.992 1.00 0.00 O ATOM 1334 CB ILE A 85 4.830 5.851 2.574 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.279 6.120 1.171 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.045 7.161 3.305 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.764 6.235 1.142 1.00 0.00 C ATOM 0 H ILE A 85 7.305 6.705 2.704 1.00 0.00 H new ATOM 0 HA ILE A 85 5.975 4.201 3.332 1.00 0.00 H new ATOM 0 HB ILE A 85 4.082 5.264 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.716 7.041 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.590 5.316 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.125 7.745 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.323 6.959 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.842 7.723 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.433 6.426 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.322 5.305 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.449 7.057 1.785 1.00 0.00 H new ATOM 1349 N GLU A 86 7.161 4.853 0.364 1.00 0.00 N ATOM 1350 CA GLU A 86 7.450 4.257 -0.939 1.00 0.00 C ATOM 1351 C GLU A 86 8.425 3.104 -0.775 1.00 0.00 C ATOM 1352 O GLU A 86 8.201 2.018 -1.302 1.00 0.00 O ATOM 1353 CB GLU A 86 8.015 5.298 -1.917 1.00 0.00 C ATOM 1354 CG GLU A 86 9.044 6.231 -1.306 1.00 0.00 C ATOM 1355 CD GLU A 86 10.314 6.321 -2.131 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.215 6.580 -3.348 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.408 6.131 -1.558 1.00 0.00 O ATOM 0 H GLU A 86 7.640 5.736 0.540 1.00 0.00 H new ATOM 0 HA GLU A 86 6.516 3.882 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.468 4.779 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.192 5.893 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.611 7.226 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.291 5.886 -0.302 1.00 0.00 H new ATOM 1364 N GLN A 87 9.492 3.324 -0.011 1.00 0.00 N ATOM 1365 CA GLN A 87 10.459 2.266 0.235 1.00 0.00 C ATOM 1366 C GLN A 87 9.762 1.106 0.930 1.00 0.00 C ATOM 1367 O GLN A 87 10.153 -0.051 0.788 1.00 0.00 O ATOM 1368 CB GLN A 87 11.625 2.779 1.087 1.00 0.00 C ATOM 1369 CG GLN A 87 12.550 3.743 0.355 1.00 0.00 C ATOM 1370 CD GLN A 87 12.848 3.313 -1.070 1.00 0.00 C ATOM 1371 OE1 GLN A 87 13.911 2.763 -1.357 1.00 0.00 O ATOM 1372 NE2 GLN A 87 11.904 3.564 -1.970 1.00 0.00 N ATOM 0 H GLN A 87 9.704 4.213 0.441 1.00 0.00 H new ATOM 0 HA GLN A 87 10.868 1.928 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.225 3.276 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.208 1.927 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.096 4.734 0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.486 3.828 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.038 4.022 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.045 3.298 -2.945 1.00 0.00 H new ATOM 1381 N ASN A 88 8.704 1.437 1.670 1.00 0.00 N ATOM 1382 CA ASN A 88 7.916 0.443 2.377 1.00 0.00 C ATOM 1383 C ASN A 88 6.892 -0.187 1.436 1.00 0.00 C ATOM 1384 O ASN A 88 6.883 -1.400 1.238 1.00 0.00 O ATOM 1385 CB ASN A 88 7.207 1.080 3.574 1.00 0.00 C ATOM 1386 CG ASN A 88 7.972 0.886 4.869 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.542 0.145 5.752 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.113 1.554 4.988 1.00 0.00 N ATOM 0 H ASN A 88 8.376 2.395 1.792 1.00 0.00 H new ATOM 0 HA ASN A 88 8.586 -0.336 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.075 2.146 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.211 0.648 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.671 1.463 5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.432 2.158 4.230 1.00 0.00 H new ATOM 1395 N ILE A 89 6.028 0.649 0.858 1.00 0.00 N ATOM 1396 CA ILE A 89 5.000 0.164 -0.056 1.00 0.00 C ATOM 1397 C ILE A 89 5.614 -0.490 -1.280 1.00 0.00 C ATOM 1398 O ILE A 89 5.218 -1.590 -1.667 1.00 0.00 O ATOM 1399 CB ILE A 89 4.020 1.288 -0.489 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.647 1.016 0.106 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.914 1.404 -2.009 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.066 2.194 0.865 1.00 0.00 C ATOM 0 H ILE A 89 6.021 1.658 1.007 1.00 0.00 H new ATOM 0 HA ILE A 89 4.428 -0.584 0.493 1.00 0.00 H new ATOM 0 HB ILE A 89 4.411 2.235 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.962 0.738 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.715 0.160 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.218 2.203 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.895 1.630 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.553 0.462 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.086 1.925 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.729 2.459 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.964 3.046 0.192 1.00 0.00 H new ATOM 1414 N LYS A 90 6.580 0.174 -1.893 1.00 0.00 N ATOM 1415 CA LYS A 90 7.218 -0.391 -3.066 1.00 0.00 C ATOM 1416 C LYS A 90 7.899 -1.703 -2.699 1.00 0.00 C ATOM 1417 O LYS A 90 8.024 -2.602 -3.526 1.00 0.00 O ATOM 1418 CB LYS A 90 8.229 0.581 -3.682 1.00 0.00 C ATOM 1419 CG LYS A 90 7.593 1.829 -4.273 1.00 0.00 C ATOM 1420 CD LYS A 90 7.278 1.647 -5.750 1.00 0.00 C ATOM 1421 CE LYS A 90 8.538 1.394 -6.564 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.765 -0.059 -6.805 1.00 0.00 N ATOM 0 H LYS A 90 6.933 1.086 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 90 6.448 -0.579 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.948 0.877 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.788 0.064 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.677 2.064 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.266 2.677 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.589 0.812 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.773 2.536 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.462 1.912 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.398 1.813 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.732 -0.312 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.083 -0.614 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.638 -0.267 -7.816 1.00 0.00 H new ATOM 1436 N GLU A 91 8.312 -1.807 -1.438 1.00 0.00 N ATOM 1437 CA GLU A 91 8.949 -3.016 -0.938 1.00 0.00 C ATOM 1438 C GLU A 91 7.896 -3.967 -0.367 1.00 0.00 C ATOM 1439 O GLU A 91 8.216 -5.069 0.078 1.00 0.00 O ATOM 1440 CB GLU A 91 9.983 -2.674 0.136 1.00 0.00 C ATOM 1441 CG GLU A 91 10.735 -3.884 0.663 1.00 0.00 C ATOM 1442 CD GLU A 91 12.214 -3.612 0.855 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.885 -3.253 -0.135 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.702 -3.759 1.996 1.00 0.00 O ATOM 0 H GLU A 91 8.215 -1.065 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 91 9.459 -3.506 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.699 -1.962 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.481 -2.178 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.300 -4.192 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.609 -4.716 -0.030 1.00 0.00 H new ATOM 1451 N ILE A 92 6.634 -3.533 -0.399 1.00 0.00 N ATOM 1452 CA ILE A 92 5.533 -4.336 0.094 1.00 0.00 C ATOM 1453 C ILE A 92 5.174 -5.381 -0.946 1.00 0.00 C ATOM 1454 O ILE A 92 4.984 -6.553 -0.629 1.00 0.00 O ATOM 1455 CB ILE A 92 4.306 -3.454 0.445 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.098 -3.429 1.961 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.039 -3.932 -0.254 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.337 -3.031 2.732 1.00 0.00 C ATOM 0 H ILE A 92 6.357 -2.622 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 92 5.841 -4.835 1.013 1.00 0.00 H new ATOM 0 HB ILE A 92 4.512 -2.445 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.293 -2.734 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.775 -4.416 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.206 -3.285 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.184 -3.898 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.820 -4.955 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.118 -3.034 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.138 -3.740 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.649 -2.032 2.429 1.00 0.00 H new ATOM 1470 N PHE A 93 5.118 -4.946 -2.199 1.00 0.00 N ATOM 1471 CA PHE A 93 4.816 -5.843 -3.300 1.00 0.00 C ATOM 1472 C PHE A 93 5.791 -7.023 -3.301 1.00 0.00 C ATOM 1473 O PHE A 93 5.474 -8.105 -3.785 1.00 0.00 O ATOM 1474 CB PHE A 93 4.904 -5.089 -4.632 1.00 0.00 C ATOM 1475 CG PHE A 93 6.215 -5.286 -5.332 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.397 -5.000 -4.676 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.269 -5.785 -6.621 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.611 -5.202 -5.289 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.483 -5.992 -7.244 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.659 -5.701 -6.576 1.00 0.00 C ATOM 0 H PHE A 93 5.278 -3.977 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 93 3.802 -6.224 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.097 -5.421 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.751 -4.025 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.367 -4.613 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.353 -6.015 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.526 -4.971 -4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.515 -6.380 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.611 -5.863 -7.059 1.00 0.00 H new ATOM 1490 N HIS A 94 6.989 -6.791 -2.759 1.00 0.00 N ATOM 1491 CA HIS A 94 8.016 -7.821 -2.701 1.00 0.00 C ATOM 1492 C HIS A 94 7.537 -8.978 -1.847 1.00 0.00 C ATOM 1493 O HIS A 94 7.412 -10.107 -2.321 1.00 0.00 O ATOM 1494 CB HIS A 94 9.317 -7.251 -2.134 1.00 0.00 C ATOM 1495 CG HIS A 94 10.536 -8.016 -2.547 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.726 -7.408 -2.893 1.00 0.00 N ATOM 1497 CD2 HIS A 94 10.747 -9.348 -2.670 1.00 0.00 C ATOM 1498 CE1 HIS A 94 12.613 -8.333 -3.211 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.046 -9.518 -3.084 1.00 0.00 N ATOM 0 H HIS A 94 7.267 -5.897 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 94 8.209 -8.179 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.421 -6.215 -2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.256 -7.241 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.028 -10.131 -2.478 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.631 -8.151 -3.523 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.499 -10.414 -3.264 1.00 0.00 H new ATOM 1508 N HIS A 95 7.241 -8.680 -0.592 1.00 0.00 N ATOM 1509 CA HIS A 95 6.741 -9.686 0.324 1.00 0.00 C ATOM 1510 C HIS A 95 5.348 -10.144 -0.105 1.00 0.00 C ATOM 1511 O HIS A 95 4.825 -11.131 0.410 1.00 0.00 O ATOM 1512 CB HIS A 95 6.694 -9.130 1.747 1.00 0.00 C ATOM 1513 CG HIS A 95 8.015 -8.623 2.235 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.171 -7.963 3.436 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.248 -8.681 1.677 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.442 -7.636 3.595 1.00 0.00 C ATOM 1517 NE2 HIS A 95 10.116 -8.061 2.542 1.00 0.00 N ATOM 0 H HIS A 95 7.339 -7.749 -0.187 1.00 0.00 H new ATOM 0 HA HIS A 95 7.416 -10.542 0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.966 -8.320 1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.342 -9.910 2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.501 -9.131 0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.858 -7.111 4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.119 -7.947 2.395 1.00 0.00 H new ATOM 1526 N LEU A 96 4.750 -9.420 -1.054 1.00 0.00 N ATOM 1527 CA LEU A 96 3.422 -9.766 -1.544 1.00 0.00 C ATOM 1528 C LEU A 96 3.513 -10.719 -2.722 1.00 0.00 C ATOM 1529 O LEU A 96 2.965 -11.821 -2.690 1.00 0.00 O ATOM 1530 CB LEU A 96 2.662 -8.504 -1.930 1.00 0.00 C ATOM 1531 CG LEU A 96 2.201 -7.671 -0.743 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.382 -6.478 -1.211 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.396 -8.512 0.234 1.00 0.00 C ATOM 0 H LEU A 96 5.164 -8.598 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 96 2.878 -10.271 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.299 -7.889 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.792 -8.784 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 96 3.088 -7.304 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.062 -5.895 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.990 -5.853 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.506 -6.829 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.079 -7.892 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.518 -8.916 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.012 -9.332 0.602 1.00 0.00 H new ATOM 1545 N GLU A 97 4.225 -10.292 -3.754 1.00 0.00 N ATOM 1546 CA GLU A 97 4.410 -11.110 -4.938 1.00 0.00 C ATOM 1547 C GLU A 97 5.216 -12.360 -4.602 1.00 0.00 C ATOM 1548 O GLU A 97 5.310 -13.278 -5.414 1.00 0.00 O ATOM 1549 CB GLU A 97 5.114 -10.309 -6.034 1.00 0.00 C ATOM 1550 CG GLU A 97 4.173 -9.441 -6.854 1.00 0.00 C ATOM 1551 CD GLU A 97 4.550 -9.399 -8.323 1.00 0.00 C ATOM 1552 OE1 GLU A 97 5.689 -8.987 -8.632 1.00 0.00 O ATOM 1553 OE2 GLU A 97 3.708 -9.778 -9.163 1.00 0.00 O ATOM 0 H GLU A 97 4.684 -9.382 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 97 3.429 -11.415 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.874 -9.675 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.632 -10.999 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.156 -9.820 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.177 -8.428 -6.453 1.00 0.00 H new ATOM 1560 N GLU A 98 5.793 -12.400 -3.397 1.00 0.00 N ATOM 1561 CA GLU A 98 6.577 -13.561 -2.983 1.00 0.00 C ATOM 1562 C GLU A 98 5.662 -14.668 -2.469 1.00 0.00 C ATOM 1563 O GLU A 98 5.991 -15.849 -2.555 1.00 0.00 O ATOM 1564 CB GLU A 98 7.615 -13.177 -1.919 1.00 0.00 C ATOM 1565 CG GLU A 98 7.077 -13.159 -0.496 1.00 0.00 C ATOM 1566 CD GLU A 98 8.158 -12.886 0.533 1.00 0.00 C ATOM 1567 OE1 GLU A 98 9.212 -12.334 0.155 1.00 0.00 O ATOM 1568 OE2 GLU A 98 7.951 -13.226 1.717 1.00 0.00 O ATOM 0 H GLU A 98 5.733 -11.654 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 98 7.115 -13.934 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.448 -13.878 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.014 -12.191 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.302 -12.397 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.606 -14.117 -0.277 1.00 0.00 H new ATOM 1575 N LEU A 99 4.508 -14.276 -1.938 1.00 0.00 N ATOM 1576 CA LEU A 99 3.540 -15.232 -1.416 1.00 0.00 C ATOM 1577 C LEU A 99 2.914 -16.030 -2.545 1.00 0.00 C ATOM 1578 O LEU A 99 3.080 -17.246 -2.634 1.00 0.00 O ATOM 1579 CB LEU A 99 2.443 -14.504 -0.646 1.00 0.00 C ATOM 1580 CG LEU A 99 2.948 -13.502 0.384 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.059 -12.268 0.407 1.00 0.00 C ATOM 1582 CD2 LEU A 99 3.009 -14.141 1.761 1.00 0.00 C ATOM 0 H LEU A 99 4.221 -13.301 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 99 4.064 -15.913 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.803 -13.982 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.821 -15.243 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 99 3.955 -13.195 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.435 -11.563 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.064 -11.798 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.041 -12.558 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.372 -13.411 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.013 -14.476 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.686 -14.995 1.736 1.00 0.00 H new ATOM 1594 N VAL A 100 2.191 -15.330 -3.408 1.00 0.00 N ATOM 1595 CA VAL A 100 1.532 -15.962 -4.538 1.00 0.00 C ATOM 1596 C VAL A 100 2.545 -16.650 -5.447 1.00 0.00 C ATOM 1597 O VAL A 100 2.219 -17.615 -6.139 1.00 0.00 O ATOM 1598 CB VAL A 100 0.731 -14.934 -5.351 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.107 -15.628 -6.411 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.137 -14.097 -4.424 1.00 0.00 C ATOM 0 H VAL A 100 2.047 -14.322 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 100 0.848 -16.711 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 100 1.426 -14.268 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.667 -14.884 -6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.546 -16.181 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.802 -16.318 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.701 -13.371 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.829 -14.747 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.496 -13.572 -3.708 1.00 0.00 H new ATOM 1610 N HIS A 101 3.775 -16.152 -5.433 1.00 0.00 N ATOM 1611 CA HIS A 101 4.840 -16.721 -6.247 1.00 0.00 C ATOM 1612 C HIS A 101 5.506 -17.889 -5.527 1.00 0.00 C ATOM 1613 O HIS A 101 5.913 -18.865 -6.157 1.00 0.00 O ATOM 1614 CB HIS A 101 5.883 -15.656 -6.588 1.00 0.00 C ATOM 1615 CG HIS A 101 6.984 -16.156 -7.471 1.00 0.00 C ATOM 1616 ND1 HIS A 101 8.150 -16.706 -6.983 1.00 0.00 N ATOM 1617 CD2 HIS A 101 7.090 -16.190 -8.821 1.00 0.00 C ATOM 1618 CE1 HIS A 101 8.927 -17.054 -7.994 1.00 0.00 C ATOM 1619 NE2 HIS A 101 8.306 -16.752 -9.119 1.00 0.00 N ATOM 0 H HIS A 101 4.059 -15.354 -4.865 1.00 0.00 H new ATOM 0 HA HIS A 101 4.396 -17.089 -7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.387 -14.818 -7.078 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.315 -15.274 -5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.355 -15.840 -9.530 1.00 0.00 H new ATOM 0 HE1 HIS A 101 9.904 -17.508 -7.913 1.00 0.00 H new ATOM 0 HE2 HIS A 101 8.671 -16.911 -10.058 1.00 0.00 H new ATOM 1628 N ARG A 102 5.615 -17.789 -4.204 1.00 0.00 N ATOM 1629 CA ARG A 102 6.235 -18.847 -3.412 1.00 0.00 C ATOM 1630 C ARG A 102 5.176 -19.693 -2.711 1.00 0.00 C ATOM 1631 O ARG A 102 5.555 -20.523 -1.857 1.00 0.00 O ATOM 1632 CB ARG A 102 7.196 -18.253 -2.381 1.00 0.00 C ATOM 1633 CG ARG A 102 8.325 -19.193 -1.989 1.00 0.00 C ATOM 1634 CD ARG A 102 9.151 -18.630 -0.841 1.00 0.00 C ATOM 1635 NE ARG A 102 10.566 -18.521 -1.188 1.00 0.00 N ATOM 1636 CZ ARG A 102 11.542 -18.410 -0.289 1.00 0.00 C ATOM 1637 NH1 ARG A 102 11.262 -18.392 1.008 1.00 0.00 N ATOM 1638 NH2 ARG A 102 12.803 -18.317 -0.690 1.00 0.00 N ATOM 1639 OXT ARG A 102 3.980 -19.520 -3.022 1.00 0.00 O ATOM 0 H ARG A 102 5.284 -16.991 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 102 6.798 -19.488 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.623 -17.333 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.634 -17.981 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.911 -20.159 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.970 -19.367 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.768 -17.647 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.040 -19.271 0.034 1.00 0.00 H new ATOM 0 HE ARG A 102 10.821 -18.530 -2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.294 -18.463 1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.015 -18.307 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.024 -18.331 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.552 -18.232 -0.003 1.00 0.00 H new TER 1653 ARG A 102