USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 936 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 90 LYS NZ :NH3+ 179:sc= 1.05 (180deg=0.0572) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.666 K(o=1.7,f=-7!) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -129:sc= 2.28 (180deg=-0.568) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= -0.221 USER MOD Set 3.1: A 37 HIS : no HE2:sc= 0.435 K(o=1.7,f=-7.9!) USER MOD Set 3.2: A 56 SER OG : rot -97:sc= 1.27 USER MOD Set 4.1: A 23 ASN : amide:sc= 1.25 K(o=2.4,f=-11!) USER MOD Set 4.2: A 105 LYS NZ :NH3+ -165:sc= 1.15 (180deg=-0.919) USER MOD Single : A 14 THR OG1 : rot 61:sc= 0.856 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -1.92! (180deg=-2.73!) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -0.012 (180deg=-1.69!) USER MOD Single : A 27 TYR OH : rot 120:sc= -0.189 USER MOD Single : A 29 CYS SG : rot 5:sc= 2.2 USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= 1.38 (180deg=-0.0874!) USER MOD Single : A 40 HIS : no HE2:sc= -1.28! C(o=-1.2!,f=-9.2!) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 1.1 (180deg=0.251) USER MOD Single : A 48 SER OG : rot -95:sc= 1.37 USER MOD Single : A 52 THR OG1 : rot 105:sc= 0.127 USER MOD Single : A 57 CYS SG : rot 66:sc= 0.125 USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.622 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0.949 (180deg=0.439) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.12) USER MOD Single : A 71 TYR OH : rot 100:sc= -0.408 USER MOD Single : A 73 GLN : amide:sc= -0.81 K(o=-0.81,f=-3!) USER MOD Single : A 75 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.5!) USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= 0.675 (180deg=-1.83!) USER MOD Single : A 85 SER OG : rot -70:sc= -0.495 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00788 USER MOD Single : A 92 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.29) USER MOD Single : A 93 ASN : amide:sc= -0.083 K(o=-0.083,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= 2.37 (180deg=-0.915!) USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.744 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= 0.455 (180deg=-0.321) USER MOD Single : A 113 HIS : no HE2:sc= -0.594 K(o=1.5,f=-9.8!) USER MOD Single : A 115 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 10 -18.313 5.064 7.997 1.00 0.00 N ATOM 2 CA GLU A 10 -17.585 4.616 6.770 1.00 0.00 C ATOM 3 C GLU A 10 -16.857 3.319 7.039 1.00 0.00 C ATOM 4 O GLU A 10 -16.552 2.574 6.114 1.00 0.00 O ATOM 5 CB GLU A 10 -16.587 5.677 6.217 1.00 0.00 C ATOM 6 CG GLU A 10 -15.429 5.998 7.130 1.00 0.00 C ATOM 7 CD GLU A 10 -15.873 6.567 8.439 1.00 0.00 C ATOM 8 OE1 GLU A 10 -16.025 7.770 8.533 1.00 0.00 O ATOM 9 OE2 GLU A 10 -16.190 5.760 9.338 1.00 0.00 O1- ATOM 0 HA GLU A 10 -18.344 4.470 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.192 5.322 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.134 6.597 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.850 5.092 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.766 6.708 6.635 1.00 0.00 H new ATOM 16 N GLU A 11 -16.642 3.062 8.314 1.00 0.00 N ATOM 17 CA GLU A 11 -16.032 1.870 8.889 1.00 0.00 C ATOM 18 C GLU A 11 -16.415 0.553 8.149 1.00 0.00 C ATOM 19 O GLU A 11 -15.524 -0.186 7.708 1.00 0.00 O ATOM 20 CB GLU A 11 -16.457 1.801 10.401 1.00 0.00 C ATOM 21 CG GLU A 11 -18.000 1.652 10.697 1.00 0.00 C ATOM 22 CD GLU A 11 -18.885 2.687 9.984 1.00 0.00 C ATOM 23 OE1 GLU A 11 -19.063 3.781 10.484 1.00 0.00 O ATOM 24 OE2 GLU A 11 -19.313 2.428 8.832 1.00 0.00 O1- ATOM 0 H GLU A 11 -16.909 3.732 9.035 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.950 1.952 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.939 0.960 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.101 2.704 10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.320 0.653 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.161 1.733 11.772 1.00 0.00 H new ATOM 31 N ASP A 12 -17.708 0.318 7.952 1.00 0.00 N ATOM 32 CA ASP A 12 -18.216 -0.915 7.313 1.00 0.00 C ATOM 33 C ASP A 12 -17.755 -1.019 5.856 1.00 0.00 C ATOM 34 O ASP A 12 -17.443 -2.094 5.349 1.00 0.00 O ATOM 35 CB ASP A 12 -19.754 -0.957 7.404 1.00 0.00 C ATOM 36 CG ASP A 12 -20.363 -2.157 6.711 1.00 0.00 C ATOM 37 OD1 ASP A 12 -20.259 -3.300 7.238 1.00 0.00 O1- ATOM 38 OD2 ASP A 12 -20.934 -2.008 5.599 1.00 0.00 O ATOM 0 H ASP A 12 -18.442 0.970 8.227 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.806 -1.772 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.049 -0.964 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.162 -0.047 6.964 1.00 0.00 H new ATOM 43 N LEU A 13 -17.627 0.119 5.233 1.00 0.00 N ATOM 44 CA LEU A 13 -17.235 0.231 3.836 1.00 0.00 C ATOM 45 C LEU A 13 -15.743 0.286 3.703 1.00 0.00 C ATOM 46 O LEU A 13 -15.259 0.270 2.627 1.00 0.00 O ATOM 47 CB LEU A 13 -17.850 1.457 3.087 1.00 0.00 C ATOM 48 CG LEU A 13 -19.394 1.658 3.119 1.00 0.00 C ATOM 49 CD1 LEU A 13 -19.910 2.030 4.506 1.00 0.00 C ATOM 50 CD2 LEU A 13 -19.803 2.716 2.111 1.00 0.00 C ATOM 0 H LEU A 13 -17.793 1.019 5.682 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.636 -0.666 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.391 2.357 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.547 1.391 2.042 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.846 0.702 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -20.992 2.158 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -19.662 1.237 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.445 2.961 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -20.884 2.849 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -19.315 3.659 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.504 2.401 1.111 1.00 0.00 H new ATOM 62 N THR A 14 -15.030 0.451 4.795 1.00 0.00 N ATOM 63 CA THR A 14 -13.598 0.644 4.714 1.00 0.00 C ATOM 64 C THR A 14 -12.758 -0.678 4.709 1.00 0.00 C ATOM 65 O THR A 14 -11.657 -0.703 4.155 1.00 0.00 O ATOM 66 CB THR A 14 -13.081 1.619 5.779 1.00 0.00 C ATOM 67 OG1 THR A 14 -13.948 2.751 5.823 1.00 0.00 O ATOM 68 CG2 THR A 14 -11.726 2.122 5.363 1.00 0.00 C ATOM 0 H THR A 14 -15.412 0.456 5.741 1.00 0.00 H new ATOM 0 HA THR A 14 -13.445 1.093 3.732 1.00 0.00 H new ATOM 0 HB THR A 14 -13.036 1.114 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.853 2.461 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.349 2.816 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.039 1.281 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.806 2.634 4.404 1.00 0.00 H new ATOM 76 N GLU A 15 -13.264 -1.771 5.314 1.00 0.00 N ATOM 77 CA GLU A 15 -12.483 -3.059 5.400 1.00 0.00 C ATOM 78 C GLU A 15 -12.058 -3.614 4.029 1.00 0.00 C ATOM 79 O GLU A 15 -11.148 -4.435 3.915 1.00 0.00 O ATOM 80 CB GLU A 15 -13.220 -4.109 6.181 1.00 0.00 C ATOM 81 CG GLU A 15 -12.446 -4.550 7.423 1.00 0.00 C ATOM 82 CD GLU A 15 -11.034 -5.022 7.075 1.00 0.00 C ATOM 83 OE1 GLU A 15 -10.874 -6.211 6.695 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -10.085 -4.188 7.119 1.00 0.00 O ATOM 0 H GLU A 15 -14.187 -1.807 5.747 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.569 -2.802 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.194 -3.721 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.403 -4.973 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.388 -3.721 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.986 -5.355 7.921 1.00 0.00 H new ATOM 91 N VAL A 16 -12.723 -3.140 3.019 1.00 0.00 N ATOM 92 CA VAL A 16 -12.392 -3.360 1.612 1.00 0.00 C ATOM 93 C VAL A 16 -10.935 -3.048 1.286 1.00 0.00 C ATOM 94 O VAL A 16 -10.444 -3.458 0.294 1.00 0.00 O ATOM 95 CB VAL A 16 -13.284 -2.599 0.692 1.00 0.00 C ATOM 96 CG1 VAL A 16 -14.663 -3.211 0.702 1.00 0.00 C ATOM 97 CG2 VAL A 16 -13.348 -1.249 1.202 1.00 0.00 C ATOM 0 H VAL A 16 -13.553 -2.560 3.141 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.552 -4.426 1.450 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.907 -2.618 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.314 -2.653 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.603 -4.248 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.070 -3.175 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.992 -0.648 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.753 -1.261 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.347 -0.818 1.217 1.00 0.00 H new ATOM 107 N LYS A 17 -10.340 -2.205 2.105 1.00 0.00 N ATOM 108 CA LYS A 17 -8.950 -1.722 2.045 1.00 0.00 C ATOM 109 C LYS A 17 -7.928 -2.807 1.569 1.00 0.00 C ATOM 110 O LYS A 17 -7.066 -2.511 0.744 1.00 0.00 O ATOM 111 CB LYS A 17 -8.661 -1.286 3.481 1.00 0.00 C ATOM 112 CG LYS A 17 -7.288 -0.770 3.844 1.00 0.00 C ATOM 113 CD LYS A 17 -7.274 -0.335 5.335 1.00 0.00 C ATOM 114 CE LYS A 17 -7.200 -1.506 6.379 1.00 0.00 C ATOM 115 NZ LYS A 17 -8.141 -2.647 6.140 1.00 0.00 N1+ ATOM 0 H LYS A 17 -10.843 -1.801 2.895 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.840 -0.923 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.380 -0.507 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.871 -2.137 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.540 -1.544 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.025 0.073 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.422 0.326 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.172 0.250 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.182 -1.895 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.397 -1.098 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.214 -3.224 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.080 -2.276 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.783 -3.234 5.360 1.00 0.00 H new ATOM 129 N LYS A 18 -8.071 -4.045 2.039 1.00 0.00 N ATOM 130 CA LYS A 18 -7.187 -5.147 1.612 1.00 0.00 C ATOM 131 C LYS A 18 -7.437 -5.477 0.115 1.00 0.00 C ATOM 132 O LYS A 18 -6.573 -5.980 -0.606 1.00 0.00 O ATOM 133 CB LYS A 18 -7.487 -6.404 2.470 1.00 0.00 C ATOM 134 CG LYS A 18 -6.579 -7.600 2.164 1.00 0.00 C ATOM 135 CD LYS A 18 -6.793 -8.770 3.126 1.00 0.00 C ATOM 136 CE LYS A 18 -6.318 -8.450 4.546 1.00 0.00 C ATOM 137 NZ LYS A 18 -6.448 -9.625 5.445 1.00 0.00 N1+ ATOM 0 H LYS A 18 -8.786 -4.317 2.714 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.148 -4.846 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.386 -6.144 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.524 -6.699 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.762 -7.937 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.538 -7.281 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.851 -9.029 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.259 -9.645 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.278 -8.126 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.899 -7.619 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.681 -9.611 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.366 -9.589 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.388 -10.499 4.885 1.00 0.00 H new ATOM 151 N ASP A 19 -8.656 -5.253 -0.312 1.00 0.00 N ATOM 152 CA ASP A 19 -9.122 -5.525 -1.676 1.00 0.00 C ATOM 153 C ASP A 19 -8.973 -4.302 -2.594 1.00 0.00 C ATOM 154 O ASP A 19 -8.930 -4.445 -3.814 1.00 0.00 O ATOM 155 CB ASP A 19 -10.573 -6.030 -1.667 1.00 0.00 C ATOM 156 CG ASP A 19 -10.746 -7.272 -0.815 1.00 0.00 C ATOM 157 OD1 ASP A 19 -10.178 -8.323 -1.168 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -11.379 -7.189 0.259 1.00 0.00 O ATOM 0 H ASP A 19 -9.384 -4.865 0.288 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.485 -6.310 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.227 -5.242 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.886 -6.247 -2.688 1.00 0.00 H new ATOM 163 N ALA A 20 -8.852 -3.096 -1.981 1.00 0.00 N ATOM 164 CA ALA A 20 -8.681 -1.779 -2.692 1.00 0.00 C ATOM 165 C ALA A 20 -7.481 -1.792 -3.627 1.00 0.00 C ATOM 166 O ALA A 20 -7.330 -0.932 -4.502 1.00 0.00 O ATOM 167 CB ALA A 20 -8.575 -0.628 -1.697 1.00 0.00 C ATOM 0 H ALA A 20 -8.869 -2.998 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.572 -1.626 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.452 0.310 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.482 -0.583 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.715 -0.787 -1.047 1.00 0.00 H new ATOM 173 N LEU A 21 -6.639 -2.779 -3.396 1.00 0.00 N ATOM 174 CA LEU A 21 -5.450 -3.138 -4.166 1.00 0.00 C ATOM 175 C LEU A 21 -5.664 -3.016 -5.698 1.00 0.00 C ATOM 176 O LEU A 21 -4.691 -2.734 -6.427 1.00 0.00 O ATOM 177 CB LEU A 21 -5.060 -4.592 -3.723 1.00 0.00 C ATOM 178 CG LEU A 21 -3.990 -5.417 -4.493 1.00 0.00 C ATOM 179 CD1 LEU A 21 -4.503 -5.985 -5.815 1.00 0.00 C ATOM 180 CD2 LEU A 21 -2.753 -4.613 -4.709 1.00 0.00 C ATOM 0 H LEU A 21 -6.774 -3.405 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.637 -2.442 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.726 -4.529 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.977 -5.181 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.752 -6.273 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.708 -6.549 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.350 -6.643 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.818 -5.168 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.020 -5.212 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.994 -3.723 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.339 -4.316 -3.745 1.00 0.00 H new ATOM 192 N GLU A 22 -6.928 -3.194 -6.135 1.00 0.00 N ATOM 193 CA GLU A 22 -7.389 -3.083 -7.536 1.00 0.00 C ATOM 194 C GLU A 22 -6.667 -1.938 -8.243 1.00 0.00 C ATOM 195 O GLU A 22 -6.016 -2.118 -9.275 1.00 0.00 O ATOM 196 CB GLU A 22 -8.898 -2.723 -7.496 1.00 0.00 C ATOM 197 CG GLU A 22 -9.583 -2.509 -8.855 1.00 0.00 C ATOM 198 CD GLU A 22 -10.864 -1.677 -8.732 1.00 0.00 C ATOM 199 OE1 GLU A 22 -11.737 -2.010 -7.917 1.00 0.00 O ATOM 200 OE2 GLU A 22 -10.997 -0.628 -9.429 1.00 0.00 O1- ATOM 0 H GLU A 22 -7.687 -3.429 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.195 -4.018 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.425 -3.518 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.018 -1.814 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.892 -2.010 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.821 -3.477 -9.297 1.00 0.00 H new ATOM 207 N ASN A 23 -6.749 -0.787 -7.643 1.00 0.00 N ATOM 208 CA ASN A 23 -6.224 0.408 -8.230 1.00 0.00 C ATOM 209 C ASN A 23 -4.784 0.648 -7.820 1.00 0.00 C ATOM 210 O ASN A 23 -3.928 0.914 -8.666 1.00 0.00 O ATOM 211 CB ASN A 23 -7.109 1.600 -7.845 1.00 0.00 C ATOM 212 CG ASN A 23 -8.572 1.285 -8.072 1.00 0.00 C ATOM 213 OD1 ASN A 23 -9.270 0.838 -7.148 1.00 0.00 O ATOM 214 ND2 ASN A 23 -9.043 1.454 -9.283 1.00 0.00 N ATOM 0 H ASN A 23 -7.183 -0.651 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.231 0.291 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.946 1.855 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.826 2.473 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.013 1.216 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.440 1.824 -10.018 1.00 0.00 H new ATOM 221 N LEU A 24 -4.519 0.506 -6.524 1.00 0.00 N ATOM 222 CA LEU A 24 -3.222 0.852 -5.892 1.00 0.00 C ATOM 223 C LEU A 24 -1.999 0.269 -6.559 1.00 0.00 C ATOM 224 O LEU A 24 -1.072 0.994 -6.889 1.00 0.00 O ATOM 225 CB LEU A 24 -3.212 0.516 -4.412 1.00 0.00 C ATOM 226 CG LEU A 24 -3.994 1.456 -3.493 1.00 0.00 C ATOM 227 CD1 LEU A 24 -5.455 1.402 -3.759 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.689 1.165 -2.061 1.00 0.00 C ATOM 0 H LEU A 24 -5.203 0.142 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.148 1.931 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.610 -0.491 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.176 0.493 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.672 2.475 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.973 2.084 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.648 1.695 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.817 0.387 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.255 1.844 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.966 0.136 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.623 1.302 -1.881 1.00 0.00 H new ATOM 240 N ARG A 25 -2.020 -1.017 -6.801 1.00 0.00 N ATOM 241 CA ARG A 25 -0.873 -1.728 -7.384 1.00 0.00 C ATOM 242 C ARG A 25 -0.574 -1.202 -8.803 1.00 0.00 C ATOM 243 O ARG A 25 0.546 -1.308 -9.298 1.00 0.00 O ATOM 244 CB ARG A 25 -1.233 -3.208 -7.423 1.00 0.00 C ATOM 245 CG ARG A 25 -0.181 -4.169 -7.931 1.00 0.00 C ATOM 246 CD ARG A 25 -0.722 -5.586 -7.822 1.00 0.00 C ATOM 247 NE ARG A 25 0.268 -6.615 -8.130 1.00 0.00 N ATOM 248 CZ ARG A 25 0.848 -7.403 -7.200 1.00 0.00 C ATOM 249 NH1 ARG A 25 0.634 -7.200 -5.901 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 1.636 -8.404 -7.561 1.00 0.00 N ATOM 0 H ARG A 25 -2.823 -1.614 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 25 0.024 -1.568 -6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.509 -3.514 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.121 -3.322 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.072 -3.940 -8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.735 -4.068 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.098 -5.746 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.570 -5.695 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 25 0.537 -6.746 -9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.025 -6.441 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.079 -7.804 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.810 -8.585 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.070 -8.994 -6.850 1.00 0.00 H new ATOM 264 N VAL A 26 -1.593 -0.648 -9.433 1.00 0.00 N ATOM 265 CA VAL A 26 -1.482 -0.122 -10.769 1.00 0.00 C ATOM 266 C VAL A 26 -1.104 1.380 -10.786 1.00 0.00 C ATOM 267 O VAL A 26 -0.024 1.748 -11.257 1.00 0.00 O ATOM 268 CB VAL A 26 -2.796 -0.344 -11.579 1.00 0.00 C ATOM 269 CG1 VAL A 26 -2.649 0.145 -13.018 1.00 0.00 C ATOM 270 CG2 VAL A 26 -3.206 -1.812 -11.554 1.00 0.00 C ATOM 0 H VAL A 26 -2.523 -0.553 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.673 -0.676 -11.245 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.581 0.243 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.582 -0.024 -13.557 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.417 1.210 -13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.843 -0.402 -13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.125 -1.943 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.415 -2.418 -11.995 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.372 -2.126 -10.523 1.00 0.00 H new ATOM 280 N TYR A 27 -2.004 2.239 -10.282 1.00 0.00 N ATOM 281 CA TYR A 27 -1.848 3.707 -10.423 1.00 0.00 C ATOM 282 C TYR A 27 -0.903 4.348 -9.392 1.00 0.00 C ATOM 283 O TYR A 27 -0.443 5.474 -9.593 1.00 0.00 O ATOM 284 CB TYR A 27 -3.225 4.442 -10.410 1.00 0.00 C ATOM 285 CG TYR A 27 -3.799 4.775 -9.025 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.866 3.830 -8.027 1.00 0.00 C ATOM 287 CD2 TYR A 27 -4.251 6.059 -8.731 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.361 4.124 -6.788 1.00 0.00 C ATOM 289 CE2 TYR A 27 -4.756 6.367 -7.479 1.00 0.00 C ATOM 290 CZ TYR A 27 -4.808 5.386 -6.510 1.00 0.00 C ATOM 291 OH TYR A 27 -5.296 5.667 -5.260 1.00 0.00 O ATOM 0 H TYR A 27 -2.842 1.952 -9.777 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.378 3.836 -11.398 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.124 5.370 -10.972 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.949 3.825 -10.942 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.518 2.828 -8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.207 6.826 -9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.399 3.359 -6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.106 7.366 -7.263 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.758 6.377 -4.851 1.00 0.00 H new ATOM 301 N LEU A 28 -0.652 3.668 -8.291 1.00 0.00 N ATOM 302 CA LEU A 28 0.122 4.258 -7.202 1.00 0.00 C ATOM 303 C LEU A 28 1.629 4.042 -7.338 1.00 0.00 C ATOM 304 O LEU A 28 2.392 4.760 -6.731 1.00 0.00 O ATOM 305 CB LEU A 28 -0.363 3.757 -5.809 1.00 0.00 C ATOM 306 CG LEU A 28 -1.584 4.403 -5.155 1.00 0.00 C ATOM 307 CD1 LEU A 28 -1.671 3.999 -3.698 1.00 0.00 C ATOM 308 CD2 LEU A 28 -1.541 5.893 -5.278 1.00 0.00 C ATOM 0 H LEU A 28 -0.967 2.713 -8.121 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.057 5.331 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.568 2.690 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.472 3.863 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.473 4.049 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.545 4.465 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.759 2.915 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.772 4.326 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.423 6.323 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.644 6.273 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.525 6.171 -6.332 1.00 0.00 H new ATOM 320 N CYS A 29 2.014 3.132 -8.208 1.00 0.00 N ATOM 321 CA CYS A 29 3.403 2.621 -8.358 1.00 0.00 C ATOM 322 C CYS A 29 4.569 3.654 -8.196 1.00 0.00 C ATOM 323 O CYS A 29 5.466 3.459 -7.379 1.00 0.00 O ATOM 324 CB CYS A 29 3.510 1.900 -9.693 1.00 0.00 C ATOM 325 SG CYS A 29 2.940 2.880 -11.118 1.00 0.00 S ATOM 0 H CYS A 29 1.363 2.699 -8.863 1.00 0.00 H new ATOM 0 HA CYS A 29 3.553 1.954 -7.509 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.549 1.613 -9.856 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.929 0.979 -9.644 1.00 0.00 H new ATOM 0 HG CYS A 29 2.632 4.080 -10.724 1.00 0.00 H new ATOM 331 N GLU A 30 4.544 4.714 -8.961 1.00 0.00 N ATOM 332 CA GLU A 30 5.617 5.712 -8.973 1.00 0.00 C ATOM 333 C GLU A 30 5.399 6.857 -7.980 1.00 0.00 C ATOM 334 O GLU A 30 6.275 7.690 -7.775 1.00 0.00 O ATOM 335 CB GLU A 30 5.900 6.243 -10.410 1.00 0.00 C ATOM 336 CG GLU A 30 4.750 6.094 -11.431 1.00 0.00 C ATOM 337 CD GLU A 30 3.426 6.643 -10.961 1.00 0.00 C ATOM 338 OE1 GLU A 30 3.166 7.835 -11.094 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 2.606 5.853 -10.415 1.00 0.00 O ATOM 0 H GLU A 30 3.779 4.924 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 30 6.509 5.187 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.161 7.299 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.775 5.724 -10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.032 6.600 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.627 5.038 -11.671 1.00 0.00 H new ATOM 346 N LYS A 31 4.251 6.877 -7.353 1.00 0.00 N ATOM 347 CA LYS A 31 3.911 7.936 -6.407 1.00 0.00 C ATOM 348 C LYS A 31 3.737 7.330 -5.029 1.00 0.00 C ATOM 349 O LYS A 31 3.177 7.941 -4.117 1.00 0.00 O ATOM 350 CB LYS A 31 2.613 8.630 -6.845 1.00 0.00 C ATOM 351 CG LYS A 31 2.703 9.318 -8.209 1.00 0.00 C ATOM 352 CD LYS A 31 1.348 9.856 -8.673 1.00 0.00 C ATOM 353 CE LYS A 31 0.349 8.730 -8.949 1.00 0.00 C ATOM 354 NZ LYS A 31 0.759 7.870 -10.078 1.00 0.00 N1+ ATOM 0 H LYS A 31 3.524 6.172 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 31 4.711 8.676 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.811 7.892 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.338 9.370 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.419 10.138 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.084 8.611 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.942 10.522 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.484 10.450 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.239 8.119 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.629 9.161 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.009 7.861 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.636 8.241 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.922 6.902 -9.735 1.00 0.00 H new ATOM 368 N ILE A 32 4.257 6.152 -4.881 1.00 0.00 N ATOM 369 CA ILE A 32 4.085 5.384 -3.696 1.00 0.00 C ATOM 370 C ILE A 32 5.439 5.061 -3.057 1.00 0.00 C ATOM 371 O ILE A 32 6.491 5.431 -3.565 1.00 0.00 O ATOM 372 CB ILE A 32 3.210 4.066 -3.926 1.00 0.00 C ATOM 373 CG1 ILE A 32 2.568 3.596 -2.607 1.00 0.00 C ATOM 374 CG2 ILE A 32 4.071 2.925 -4.494 1.00 0.00 C ATOM 375 CD1 ILE A 32 1.532 2.505 -2.729 1.00 0.00 C ATOM 0 H ILE A 32 4.822 5.692 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 32 3.516 6.000 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 32 2.427 4.318 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.360 3.246 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.106 4.457 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.452 2.040 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.498 3.232 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.875 2.693 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.149 2.255 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.712 2.851 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.986 1.621 -3.177 1.00 0.00 H new ATOM 387 N ILE A 33 5.325 4.464 -1.912 1.00 0.00 N ATOM 388 CA ILE A 33 6.327 3.877 -1.059 1.00 0.00 C ATOM 389 C ILE A 33 7.266 2.855 -1.856 1.00 0.00 C ATOM 390 O ILE A 33 7.463 3.012 -3.026 1.00 0.00 O ATOM 391 CB ILE A 33 5.656 3.291 0.223 1.00 0.00 C ATOM 392 CG1 ILE A 33 6.657 2.899 1.336 1.00 0.00 C ATOM 393 CG2 ILE A 33 4.698 2.172 -0.102 1.00 0.00 C ATOM 394 CD1 ILE A 33 7.502 4.053 1.829 1.00 0.00 C ATOM 0 H ILE A 33 4.401 4.360 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 33 7.014 4.651 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 33 5.072 4.110 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.105 2.479 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.314 2.114 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.254 1.794 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.911 2.545 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.236 1.367 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.179 3.702 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.082 4.459 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.855 4.831 2.235 1.00 0.00 H new ATOM 406 N ALA A 34 7.753 1.813 -1.201 1.00 0.00 N ATOM 407 CA ALA A 34 9.040 1.074 -1.329 1.00 0.00 C ATOM 408 C ALA A 34 9.900 1.094 -2.590 1.00 0.00 C ATOM 409 O ALA A 34 10.902 0.392 -2.605 1.00 0.00 O ATOM 410 CB ALA A 34 8.801 -0.345 -1.056 1.00 0.00 C ATOM 0 H ALA A 34 7.191 1.394 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 34 9.630 1.659 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.737 -0.896 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.409 -0.460 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.079 -0.737 -1.772 1.00 0.00 H new ATOM 416 N GLU A 35 9.612 1.793 -3.586 1.00 0.00 N ATOM 417 CA GLU A 35 10.720 2.091 -4.436 1.00 0.00 C ATOM 418 C GLU A 35 11.459 3.226 -3.674 1.00 0.00 C ATOM 419 O GLU A 35 12.662 3.238 -3.495 1.00 0.00 O ATOM 420 CB GLU A 35 10.322 2.456 -5.855 1.00 0.00 C ATOM 421 CG GLU A 35 11.493 3.011 -6.711 1.00 0.00 C ATOM 422 CD GLU A 35 12.728 2.098 -6.811 1.00 0.00 C ATOM 423 OE1 GLU A 35 13.287 1.689 -5.773 1.00 0.00 O1- ATOM 424 OE2 GLU A 35 13.163 1.784 -7.937 1.00 0.00 O ATOM 0 H GLU A 35 8.697 2.161 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 35 11.359 1.225 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.912 1.573 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.526 3.200 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.124 3.206 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.803 3.969 -6.294 1.00 0.00 H new ATOM 431 N ARG A 36 10.629 4.028 -3.046 1.00 0.00 N ATOM 432 CA ARG A 36 10.984 5.061 -2.083 1.00 0.00 C ATOM 433 C ARG A 36 11.613 4.488 -0.792 1.00 0.00 C ATOM 434 O ARG A 36 12.117 5.220 0.012 1.00 0.00 O ATOM 435 CB ARG A 36 9.786 5.923 -1.758 1.00 0.00 C ATOM 436 CG ARG A 36 9.422 6.845 -2.893 1.00 0.00 C ATOM 437 CD ARG A 36 8.268 7.727 -2.529 1.00 0.00 C ATOM 438 NE ARG A 36 8.505 8.437 -1.274 1.00 0.00 N ATOM 439 CZ ARG A 36 7.581 9.080 -0.572 1.00 0.00 C ATOM 440 NH1 ARG A 36 6.319 9.151 -0.988 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 7.907 9.644 0.551 1.00 0.00 N ATOM 0 H ARG A 36 9.622 3.978 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 36 11.748 5.679 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.934 5.284 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.997 6.513 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.283 7.459 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.169 6.257 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.095 8.448 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.363 7.125 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 36 9.457 8.438 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.045 8.705 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.626 9.651 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.868 9.591 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.202 10.140 1.096 1.00 0.00 H new ATOM 455 N HIS A 37 11.622 3.146 -0.683 1.00 0.00 N ATOM 456 CA HIS A 37 11.840 2.305 0.557 1.00 0.00 C ATOM 457 C HIS A 37 12.955 2.729 1.510 1.00 0.00 C ATOM 458 O HIS A 37 12.999 2.243 2.639 1.00 0.00 O ATOM 459 CB HIS A 37 12.172 0.842 0.128 1.00 0.00 C ATOM 460 CG HIS A 37 13.465 0.661 -0.691 1.00 0.00 C ATOM 461 ND1 HIS A 37 13.562 0.921 -2.049 1.00 0.00 N ATOM 462 CD2 HIS A 37 14.695 0.229 -0.325 1.00 0.00 C ATOM 463 CE1 HIS A 37 14.768 0.662 -2.469 1.00 0.00 C ATOM 464 NE2 HIS A 37 15.484 0.237 -1.450 1.00 0.00 N ATOM 0 H HIS A 37 11.469 2.560 -1.503 1.00 0.00 H new ATOM 0 HA HIS A 37 10.906 2.427 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.244 0.228 1.025 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.337 0.456 -0.457 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.801 1.265 -2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.000 -0.067 0.668 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.121 0.777 -3.483 1.00 0.00 H new ATOM 473 N PHE A 38 13.824 3.578 1.113 1.00 0.00 N ATOM 474 CA PHE A 38 14.866 3.946 1.989 1.00 0.00 C ATOM 475 C PHE A 38 14.458 5.169 2.835 1.00 0.00 C ATOM 476 O PHE A 38 15.108 5.471 3.832 1.00 0.00 O ATOM 477 CB PHE A 38 16.174 4.163 1.233 1.00 0.00 C ATOM 478 CG PHE A 38 17.382 4.039 2.116 1.00 0.00 C ATOM 479 CD1 PHE A 38 17.732 2.800 2.647 1.00 0.00 C ATOM 480 CD2 PHE A 38 18.156 5.144 2.432 1.00 0.00 C ATOM 481 CE1 PHE A 38 18.833 2.672 3.470 1.00 0.00 C ATOM 482 CE2 PHE A 38 19.258 5.021 3.257 1.00 0.00 C ATOM 483 CZ PHE A 38 19.598 3.783 3.776 1.00 0.00 C ATOM 0 H PHE A 38 13.836 4.027 0.197 1.00 0.00 H new ATOM 0 HA PHE A 38 15.045 3.124 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.245 3.437 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 38 16.164 5.152 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 38 17.136 1.930 2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 38 17.895 6.112 2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 38 19.097 1.706 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.853 5.890 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 38 20.460 3.685 4.419 1.00 0.00 H new ATOM 493 N ASP A 39 13.370 5.845 2.457 1.00 0.00 N ATOM 494 CA ASP A 39 12.924 7.028 3.199 1.00 0.00 C ATOM 495 C ASP A 39 11.901 6.704 4.339 1.00 0.00 C ATOM 496 O ASP A 39 12.226 6.788 5.521 1.00 0.00 O ATOM 497 CB ASP A 39 12.419 8.185 2.246 1.00 0.00 C ATOM 498 CG ASP A 39 10.990 8.052 1.689 1.00 0.00 C ATOM 499 OD1 ASP A 39 10.529 6.937 1.410 1.00 0.00 O1- ATOM 500 OD2 ASP A 39 10.275 9.076 1.625 1.00 0.00 O ATOM 0 H ASP A 39 12.790 5.599 1.655 1.00 0.00 H new ATOM 0 HA ASP A 39 13.813 7.404 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.485 9.127 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.107 8.255 1.403 1.00 0.00 H new ATOM 505 N HIS A 40 10.700 6.304 3.973 1.00 0.00 N ATOM 506 CA HIS A 40 9.584 6.144 4.915 1.00 0.00 C ATOM 507 C HIS A 40 9.406 4.772 5.572 1.00 0.00 C ATOM 508 O HIS A 40 8.768 4.706 6.589 1.00 0.00 O ATOM 509 CB HIS A 40 8.252 6.558 4.265 1.00 0.00 C ATOM 510 CG HIS A 40 7.914 8.026 4.313 1.00 0.00 C ATOM 511 ND1 HIS A 40 8.537 8.988 3.569 1.00 0.00 N ATOM 512 CD2 HIS A 40 6.958 8.672 5.011 1.00 0.00 C ATOM 513 CE1 HIS A 40 7.985 10.154 3.807 1.00 0.00 C ATOM 514 NE2 HIS A 40 7.016 9.993 4.672 1.00 0.00 N ATOM 0 H HIS A 40 10.458 6.076 3.009 1.00 0.00 H new ATOM 0 HA HIS A 40 9.869 6.809 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.269 6.245 3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.448 6.006 4.751 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.312 8.825 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.270 8.224 5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.281 11.093 3.362 1.00 0.00 H new ATOM 523 N LEU A 41 9.965 3.695 5.041 1.00 0.00 N ATOM 524 CA LEU A 41 9.605 2.324 5.544 1.00 0.00 C ATOM 525 C LEU A 41 9.771 1.987 7.036 1.00 0.00 C ATOM 526 O LEU A 41 9.158 1.027 7.523 1.00 0.00 O ATOM 527 CB LEU A 41 10.036 1.187 4.654 1.00 0.00 C ATOM 528 CG LEU A 41 9.099 0.875 3.490 1.00 0.00 C ATOM 529 CD1 LEU A 41 9.653 -0.261 2.718 1.00 0.00 C ATOM 530 CD2 LEU A 41 7.698 0.503 3.988 1.00 0.00 C ATOM 0 H LEU A 41 10.650 3.711 4.286 1.00 0.00 H new ATOM 0 HA LEU A 41 8.523 2.430 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.023 1.416 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.141 0.290 5.264 1.00 0.00 H new ATOM 0 HG LEU A 41 9.017 1.764 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.990 -0.492 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.639 0.005 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.738 -1.134 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.054 0.286 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.761 -0.377 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.281 1.335 4.555 1.00 0.00 H new ATOM 542 N ARG A 42 10.517 2.771 7.784 1.00 0.00 N ATOM 543 CA ARG A 42 10.601 2.534 9.236 1.00 0.00 C ATOM 544 C ARG A 42 9.339 3.044 9.931 1.00 0.00 C ATOM 545 O ARG A 42 9.197 2.958 11.150 1.00 0.00 O ATOM 546 CB ARG A 42 11.890 3.089 9.885 1.00 0.00 C ATOM 547 CG ARG A 42 13.149 2.277 9.605 1.00 0.00 C ATOM 548 CD ARG A 42 13.595 2.423 8.168 1.00 0.00 C ATOM 549 NE ARG A 42 13.982 3.810 7.870 1.00 0.00 N ATOM 550 CZ ARG A 42 14.448 4.242 6.699 1.00 0.00 C ATOM 551 NH1 ARG A 42 14.650 3.390 5.697 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 14.727 5.529 6.526 1.00 0.00 N ATOM 0 H ARG A 42 11.065 3.559 7.439 1.00 0.00 H new ATOM 0 HA ARG A 42 10.663 1.455 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.047 4.109 9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.742 3.143 10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.949 2.603 10.270 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.961 1.226 9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.437 1.758 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.789 2.116 7.501 1.00 0.00 H new ATOM 0 HE ARG A 42 13.886 4.496 8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.448 2.398 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.007 3.729 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.585 6.189 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.084 5.857 5.629 1.00 0.00 H new ATOM 566 N ALA A 43 8.436 3.580 9.132 1.00 0.00 N ATOM 567 CA ALA A 43 7.135 3.996 9.575 1.00 0.00 C ATOM 568 C ALA A 43 6.337 2.781 10.006 1.00 0.00 C ATOM 569 O ALA A 43 5.889 2.693 11.153 1.00 0.00 O ATOM 570 CB ALA A 43 6.413 4.643 8.403 1.00 0.00 C ATOM 0 H ALA A 43 8.598 3.738 8.137 1.00 0.00 H new ATOM 0 HA ALA A 43 7.234 4.693 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.421 4.966 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.982 5.506 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.317 3.922 7.592 1.00 0.00 H new ATOM 576 N LYS A 44 6.275 1.786 9.123 1.00 0.00 N ATOM 577 CA LYS A 44 5.420 0.640 9.366 1.00 0.00 C ATOM 578 C LYS A 44 6.172 -0.474 10.042 1.00 0.00 C ATOM 579 O LYS A 44 5.568 -1.258 10.749 1.00 0.00 O ATOM 580 CB LYS A 44 4.912 0.097 8.028 1.00 0.00 C ATOM 581 CG LYS A 44 4.159 1.070 7.115 1.00 0.00 C ATOM 582 CD LYS A 44 2.685 1.254 7.482 1.00 0.00 C ATOM 583 CE LYS A 44 2.435 2.093 8.726 1.00 0.00 C ATOM 584 NZ LYS A 44 0.989 2.292 8.935 1.00 0.00 N1+ ATOM 0 H LYS A 44 6.799 1.755 8.249 1.00 0.00 H new ATOM 0 HA LYS A 44 4.602 0.970 10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.767 -0.291 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.256 -0.748 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.655 2.040 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.225 0.713 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.171 1.717 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.236 0.271 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.870 1.601 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.930 3.059 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.794 3.305 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.467 1.945 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.685 1.767 9.780 1.00 0.00 H new ATOM 598 N LYS A 45 7.514 -0.492 9.866 1.00 0.00 N ATOM 599 CA LYS A 45 8.410 -1.524 10.469 1.00 0.00 C ATOM 600 C LYS A 45 7.901 -2.951 10.159 1.00 0.00 C ATOM 601 O LYS A 45 8.186 -3.896 10.872 1.00 0.00 O ATOM 602 CB LYS A 45 8.476 -1.307 11.970 1.00 0.00 C ATOM 603 CG LYS A 45 8.829 0.113 12.336 1.00 0.00 C ATOM 604 CD LYS A 45 8.743 0.311 13.825 1.00 0.00 C ATOM 605 CE LYS A 45 8.859 1.782 14.203 1.00 0.00 C ATOM 606 NZ LYS A 45 7.844 2.620 13.496 1.00 0.00 N1+ ATOM 0 H LYS A 45 8.010 0.201 9.306 1.00 0.00 H new ATOM 0 HA LYS A 45 9.406 -1.424 10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.514 -1.564 12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.215 -1.983 12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.837 0.344 11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.153 0.803 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.796 -0.086 14.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.536 -0.255 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.733 1.891 15.280 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.859 2.141 13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.682 3.496 14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.191 2.856 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.951 2.092 13.418 1.00 0.00 H new ATOM 620 N ILE A 46 7.207 -3.068 9.041 1.00 0.00 N ATOM 621 CA ILE A 46 6.510 -4.273 8.663 1.00 0.00 C ATOM 622 C ILE A 46 7.428 -5.351 8.059 1.00 0.00 C ATOM 623 O ILE A 46 7.081 -6.527 8.030 1.00 0.00 O ATOM 624 CB ILE A 46 5.291 -3.912 7.749 1.00 0.00 C ATOM 625 CG1 ILE A 46 4.516 -5.133 7.327 1.00 0.00 C ATOM 626 CG2 ILE A 46 5.667 -3.088 6.533 1.00 0.00 C ATOM 627 CD1 ILE A 46 3.232 -4.769 6.696 1.00 0.00 C ATOM 0 H ILE A 46 7.114 -2.312 8.362 1.00 0.00 H new ATOM 0 HA ILE A 46 6.127 -4.738 9.571 1.00 0.00 H new ATOM 0 HB ILE A 46 4.650 -3.289 8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.112 -5.720 6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.329 -5.765 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.773 -2.876 5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.121 -2.151 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.378 -3.644 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.700 -5.675 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.626 -4.204 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.421 -4.159 5.813 1.00 0.00 H new ATOM 639 N LEU A 47 8.626 -4.972 7.636 1.00 0.00 N ATOM 640 CA LEU A 47 9.522 -5.947 7.029 1.00 0.00 C ATOM 641 C LEU A 47 10.835 -5.967 7.753 1.00 0.00 C ATOM 642 O LEU A 47 11.131 -5.082 8.553 1.00 0.00 O ATOM 643 CB LEU A 47 9.845 -5.659 5.542 1.00 0.00 C ATOM 644 CG LEU A 47 8.705 -5.383 4.573 1.00 0.00 C ATOM 645 CD1 LEU A 47 7.516 -6.322 4.756 1.00 0.00 C ATOM 646 CD2 LEU A 47 8.327 -3.913 4.567 1.00 0.00 C ATOM 0 H LEU A 47 8.993 -4.023 7.699 1.00 0.00 H new ATOM 0 HA LEU A 47 8.993 -6.897 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.515 -4.800 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.403 -6.512 5.157 1.00 0.00 H new ATOM 0 HG LEU A 47 9.075 -5.611 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.739 -6.070 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.838 -7.351 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.121 -6.216 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.510 -3.750 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.011 -3.615 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.189 -3.317 4.266 1.00 0.00 H new ATOM 658 N SER A 48 11.623 -6.961 7.442 1.00 0.00 N ATOM 659 CA SER A 48 12.952 -7.059 7.937 1.00 0.00 C ATOM 660 C SER A 48 13.899 -6.713 6.776 1.00 0.00 C ATOM 661 O SER A 48 13.448 -6.487 5.649 1.00 0.00 O ATOM 662 CB SER A 48 13.228 -8.476 8.499 1.00 0.00 C ATOM 663 OG SER A 48 14.526 -8.568 9.097 1.00 0.00 O ATOM 0 H SER A 48 11.348 -7.730 6.830 1.00 0.00 H new ATOM 0 HA SER A 48 13.109 -6.366 8.764 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.468 -8.728 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 48 13.145 -9.208 7.696 1.00 0.00 H new ATOM 0 HG SER A 48 15.164 -8.921 8.442 1.00 0.00 H new ATOM 669 N ARG A 49 15.178 -6.747 7.052 1.00 0.00 N ATOM 670 CA ARG A 49 16.250 -6.355 6.124 1.00 0.00 C ATOM 671 C ARG A 49 16.194 -7.170 4.836 1.00 0.00 C ATOM 672 O ARG A 49 16.383 -6.649 3.738 1.00 0.00 O ATOM 673 CB ARG A 49 17.576 -6.713 6.751 1.00 0.00 C ATOM 674 CG ARG A 49 17.734 -6.390 8.221 1.00 0.00 C ATOM 675 CD ARG A 49 18.891 -7.191 8.785 1.00 0.00 C ATOM 676 NE ARG A 49 18.688 -8.648 8.578 1.00 0.00 N ATOM 677 CZ ARG A 49 19.539 -9.625 8.908 1.00 0.00 C ATOM 678 NH1 ARG A 49 20.646 -9.351 9.611 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 19.271 -10.878 8.545 1.00 0.00 N ATOM 0 H ARG A 49 15.531 -7.057 7.957 1.00 0.00 H new ATOM 0 HA ARG A 49 16.134 -5.291 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.740 -7.782 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.364 -6.198 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.915 -5.323 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.816 -6.627 8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.820 -6.879 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 49 18.995 -6.983 9.850 1.00 0.00 H new ATOM 0 HE ARG A 49 17.811 -8.931 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.844 -8.392 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.291 -10.101 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.422 -11.086 8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.915 -11.629 8.793 1.00 0.00 H new ATOM 693 N GLU A 50 15.918 -8.447 5.035 1.00 0.00 N ATOM 694 CA GLU A 50 16.024 -9.533 4.059 1.00 0.00 C ATOM 695 C GLU A 50 15.560 -9.167 2.642 1.00 0.00 C ATOM 696 O GLU A 50 16.390 -9.029 1.734 1.00 0.00 O ATOM 697 CB GLU A 50 15.273 -10.807 4.538 1.00 0.00 C ATOM 698 CG GLU A 50 15.124 -10.994 6.067 1.00 0.00 C ATOM 699 CD GLU A 50 16.375 -10.708 6.878 1.00 0.00 C ATOM 700 OE1 GLU A 50 17.315 -11.497 6.878 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 16.418 -9.629 7.522 1.00 0.00 O ATOM 0 H GLU A 50 15.591 -8.782 5.942 1.00 0.00 H new ATOM 0 HA GLU A 50 17.093 -9.733 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.276 -10.800 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 50 15.792 -11.678 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.324 -10.343 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.810 -12.019 6.263 1.00 0.00 H new ATOM 708 N ASP A 51 14.267 -8.977 2.454 1.00 0.00 N ATOM 709 CA ASP A 51 13.758 -8.752 1.102 1.00 0.00 C ATOM 710 C ASP A 51 13.836 -7.280 0.717 1.00 0.00 C ATOM 711 O ASP A 51 14.095 -6.966 -0.421 1.00 0.00 O ATOM 712 CB ASP A 51 12.338 -9.310 0.911 1.00 0.00 C ATOM 713 CG ASP A 51 11.926 -9.378 -0.565 1.00 0.00 C ATOM 714 OD1 ASP A 51 11.487 -8.375 -1.128 1.00 0.00 O1- ATOM 715 OD2 ASP A 51 12.026 -10.456 -1.193 1.00 0.00 O ATOM 0 H ASP A 51 13.563 -8.972 3.192 1.00 0.00 H new ATOM 0 HA ASP A 51 14.406 -9.308 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.282 -10.308 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.629 -8.685 1.454 1.00 0.00 H new ATOM 720 N THR A 52 13.699 -6.376 1.701 1.00 0.00 N ATOM 721 CA THR A 52 13.787 -4.919 1.460 1.00 0.00 C ATOM 722 C THR A 52 15.180 -4.560 0.854 1.00 0.00 C ATOM 723 O THR A 52 15.340 -3.573 0.105 1.00 0.00 O ATOM 724 CB THR A 52 13.526 -4.161 2.795 1.00 0.00 C ATOM 725 OG1 THR A 52 12.294 -4.655 3.341 1.00 0.00 O ATOM 726 CG2 THR A 52 13.397 -2.634 2.598 1.00 0.00 C ATOM 0 H THR A 52 13.526 -6.626 2.675 1.00 0.00 H new ATOM 0 HA THR A 52 13.028 -4.613 0.739 1.00 0.00 H new ATOM 0 HB THR A 52 14.374 -4.333 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.486 -5.246 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.216 -2.157 3.561 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.319 -2.244 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.565 -2.423 1.926 1.00 0.00 H new ATOM 734 N ARG A 53 16.166 -5.390 1.166 1.00 0.00 N ATOM 735 CA ARG A 53 17.480 -5.311 0.569 1.00 0.00 C ATOM 736 C ARG A 53 17.375 -5.739 -0.891 1.00 0.00 C ATOM 737 O ARG A 53 17.742 -5.006 -1.802 1.00 0.00 O ATOM 738 CB ARG A 53 18.411 -6.306 1.258 1.00 0.00 C ATOM 739 CG ARG A 53 19.833 -6.334 0.706 1.00 0.00 C ATOM 740 CD ARG A 53 20.457 -7.710 0.896 1.00 0.00 C ATOM 741 NE ARG A 53 19.810 -8.727 0.023 1.00 0.00 N ATOM 742 CZ ARG A 53 19.395 -9.956 0.400 1.00 0.00 C ATOM 743 NH1 ARG A 53 19.475 -10.333 1.684 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 18.896 -10.796 -0.509 1.00 0.00 N ATOM 0 H ARG A 53 16.069 -6.142 1.848 1.00 0.00 H new ATOM 0 HA ARG A 53 17.860 -4.294 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.453 -6.068 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 53 17.982 -7.304 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.822 -6.077 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.439 -5.581 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.523 -7.662 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.364 -8.012 1.939 1.00 0.00 H new ATOM 0 HE ARG A 53 19.666 -8.471 -0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.851 -9.691 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.160 -11.262 1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.829 -10.509 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.582 -11.725 -0.227 1.00 0.00 H new ATOM 758 N GLU A 54 16.798 -6.910 -1.077 1.00 0.00 N ATOM 759 CA GLU A 54 16.746 -7.601 -2.347 1.00 0.00 C ATOM 760 C GLU A 54 15.911 -6.859 -3.391 1.00 0.00 C ATOM 761 O GLU A 54 16.215 -6.918 -4.594 1.00 0.00 O ATOM 762 CB GLU A 54 16.238 -9.028 -2.133 1.00 0.00 C ATOM 763 CG GLU A 54 16.421 -9.918 -3.335 1.00 0.00 C ATOM 764 CD GLU A 54 17.835 -9.842 -3.835 1.00 0.00 C ATOM 765 OE1 GLU A 54 18.774 -10.261 -3.103 1.00 0.00 O ATOM 766 OE2 GLU A 54 18.050 -9.337 -4.940 1.00 0.00 O1- ATOM 0 H GLU A 54 16.338 -7.421 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 54 17.758 -7.637 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.760 -9.467 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.180 -8.993 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.176 -10.947 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.733 -9.618 -4.125 1.00 0.00 H new ATOM 773 N ILE A 55 14.889 -6.130 -2.943 1.00 0.00 N ATOM 774 CA ILE A 55 14.063 -5.345 -3.865 1.00 0.00 C ATOM 775 C ILE A 55 14.948 -4.313 -4.580 1.00 0.00 C ATOM 776 O ILE A 55 14.722 -3.970 -5.715 1.00 0.00 O ATOM 777 CB ILE A 55 12.846 -4.608 -3.162 1.00 0.00 C ATOM 778 CG1 ILE A 55 13.288 -3.367 -2.371 1.00 0.00 C ATOM 779 CG2 ILE A 55 12.131 -5.554 -2.258 1.00 0.00 C ATOM 780 CD1 ILE A 55 12.144 -2.554 -1.800 1.00 0.00 C ATOM 0 H ILE A 55 14.615 -6.065 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 55 13.627 -6.048 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 55 12.176 -4.269 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.937 -3.683 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.883 -2.728 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.297 -5.040 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.754 -6.396 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.819 -5.918 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.542 -1.697 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.505 -2.205 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.560 -3.175 -1.120 1.00 0.00 H new ATOM 792 N SER A 56 16.011 -3.908 -3.916 1.00 0.00 N ATOM 793 CA SER A 56 16.899 -2.912 -4.439 1.00 0.00 C ATOM 794 C SER A 56 17.892 -3.547 -5.424 1.00 0.00 C ATOM 795 O SER A 56 18.365 -2.890 -6.350 1.00 0.00 O ATOM 796 CB SER A 56 17.664 -2.277 -3.276 1.00 0.00 C ATOM 797 OG SER A 56 16.780 -1.974 -2.188 1.00 0.00 O ATOM 0 H SER A 56 16.277 -4.266 -2.998 1.00 0.00 H new ATOM 0 HA SER A 56 16.323 -2.153 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.446 -2.956 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.157 -1.366 -3.614 1.00 0.00 H new ATOM 0 HG SER A 56 16.511 -1.033 -2.238 1.00 0.00 H new ATOM 803 N CYS A 57 18.174 -4.824 -5.238 1.00 0.00 N ATOM 804 CA CYS A 57 19.185 -5.487 -6.024 1.00 0.00 C ATOM 805 C CYS A 57 18.616 -6.125 -7.302 1.00 0.00 C ATOM 806 O CYS A 57 18.849 -5.634 -8.402 1.00 0.00 O ATOM 807 CB CYS A 57 19.891 -6.539 -5.165 1.00 0.00 C ATOM 808 SG CYS A 57 20.587 -5.894 -3.623 1.00 0.00 S ATOM 0 H CYS A 57 17.714 -5.418 -4.548 1.00 0.00 H new ATOM 0 HA CYS A 57 19.902 -4.732 -6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 57 19.182 -7.332 -4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 57 20.691 -6.992 -5.750 1.00 0.00 H new ATOM 0 HG CYS A 57 19.624 -5.497 -2.845 1.00 0.00 H new ATOM 814 N ARG A 58 17.864 -7.204 -7.154 1.00 0.00 N ATOM 815 CA ARG A 58 17.342 -7.927 -8.315 1.00 0.00 C ATOM 816 C ARG A 58 15.966 -7.471 -8.778 1.00 0.00 C ATOM 817 O ARG A 58 15.471 -7.936 -9.796 1.00 0.00 O ATOM 818 CB ARG A 58 17.395 -9.451 -8.121 1.00 0.00 C ATOM 819 CG ARG A 58 18.684 -10.123 -8.628 1.00 0.00 C ATOM 820 CD ARG A 58 19.968 -9.577 -7.992 1.00 0.00 C ATOM 821 NE ARG A 58 20.032 -9.804 -6.546 1.00 0.00 N ATOM 822 CZ ARG A 58 21.132 -10.059 -5.834 1.00 0.00 C ATOM 823 NH1 ARG A 58 22.330 -10.111 -6.432 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 21.033 -10.249 -4.524 1.00 0.00 N ATOM 0 H ARG A 58 17.600 -7.600 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 58 18.020 -7.666 -9.127 1.00 0.00 H new ATOM 0 HB2 ARG A 58 17.280 -9.672 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.543 -9.898 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.623 -11.194 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.745 -9.997 -9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 58 20.830 -10.046 -8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 58 20.038 -8.507 -8.190 1.00 0.00 H new ATOM 0 HE ARG A 58 19.151 -9.763 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 58 22.405 -9.955 -7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 58 23.167 -10.306 -5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.121 -10.200 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 58 21.868 -10.444 -3.972 1.00 0.00 H new ATOM 838 N THR A 59 15.347 -6.579 -8.058 1.00 0.00 N ATOM 839 CA THR A 59 14.035 -6.134 -8.447 1.00 0.00 C ATOM 840 C THR A 59 14.126 -4.791 -9.209 1.00 0.00 C ATOM 841 O THR A 59 14.852 -3.881 -8.798 1.00 0.00 O ATOM 842 CB THR A 59 13.117 -6.027 -7.212 1.00 0.00 C ATOM 843 OG1 THR A 59 13.195 -7.262 -6.473 1.00 0.00 O ATOM 844 CG2 THR A 59 11.674 -5.797 -7.619 1.00 0.00 C ATOM 0 H THR A 59 15.720 -6.150 -7.211 1.00 0.00 H new ATOM 0 HA THR A 59 13.596 -6.868 -9.123 1.00 0.00 H new ATOM 0 HB THR A 59 13.446 -5.183 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.412 -7.344 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.051 -5.726 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.600 -4.870 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.332 -6.629 -8.234 1.00 0.00 H new ATOM 852 N SER A 60 13.434 -4.709 -10.341 1.00 0.00 N ATOM 853 CA SER A 60 13.411 -3.518 -11.172 1.00 0.00 C ATOM 854 C SER A 60 12.544 -2.420 -10.528 1.00 0.00 C ATOM 855 O SER A 60 11.558 -2.730 -9.877 1.00 0.00 O ATOM 856 CB SER A 60 12.855 -3.900 -12.531 1.00 0.00 C ATOM 857 OG SER A 60 13.535 -5.035 -13.031 1.00 0.00 O ATOM 0 H SER A 60 12.870 -5.476 -10.707 1.00 0.00 H new ATOM 0 HA SER A 60 14.421 -3.121 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.789 -4.111 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.963 -3.066 -13.225 1.00 0.00 H new ATOM 0 HG SER A 60 13.169 -5.276 -13.908 1.00 0.00 H new ATOM 863 N SER A 61 12.904 -1.162 -10.781 1.00 0.00 N ATOM 864 CA SER A 61 12.316 0.049 -10.180 1.00 0.00 C ATOM 865 C SER A 61 10.786 0.024 -9.934 1.00 0.00 C ATOM 866 O SER A 61 10.350 0.015 -8.787 1.00 0.00 O ATOM 867 CB SER A 61 12.712 1.236 -11.035 1.00 0.00 C ATOM 868 OG SER A 61 14.117 1.237 -11.205 1.00 0.00 O ATOM 0 H SER A 61 13.649 -0.942 -11.442 1.00 0.00 H new ATOM 0 HA SER A 61 12.722 0.116 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.216 1.183 -12.004 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.390 2.164 -10.562 1.00 0.00 H new ATOM 0 HG SER A 61 14.379 2.002 -11.759 1.00 0.00 H new ATOM 874 N ARG A 62 9.972 -0.035 -11.000 1.00 0.00 N ATOM 875 CA ARG A 62 8.508 0.022 -10.819 1.00 0.00 C ATOM 876 C ARG A 62 8.003 -1.198 -10.041 1.00 0.00 C ATOM 877 O ARG A 62 6.996 -1.138 -9.331 1.00 0.00 O ATOM 878 CB ARG A 62 7.759 0.148 -12.163 1.00 0.00 C ATOM 879 CG ARG A 62 6.265 0.429 -11.983 1.00 0.00 C ATOM 880 CD ARG A 62 5.499 0.468 -13.298 1.00 0.00 C ATOM 881 NE ARG A 62 4.083 0.820 -13.071 1.00 0.00 N ATOM 882 CZ ARG A 62 3.026 0.379 -13.772 1.00 0.00 C ATOM 883 NH1 ARG A 62 3.199 -0.442 -14.819 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 1.791 0.765 -13.420 1.00 0.00 N ATOM 0 H ARG A 62 10.286 -0.119 -11.967 1.00 0.00 H new ATOM 0 HA ARG A 62 8.297 0.921 -10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.207 0.950 -12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.885 -0.773 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.832 -0.338 -11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.141 1.382 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.956 1.196 -13.969 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.563 -0.503 -13.790 1.00 0.00 H new ATOM 0 HE ARG A 62 3.888 1.463 -12.304 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.138 -0.735 -15.087 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.391 -0.773 -15.347 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.659 1.390 -12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.983 0.434 -13.948 1.00 0.00 H new ATOM 898 N LYS A 63 8.723 -2.287 -10.150 1.00 0.00 N ATOM 899 CA LYS A 63 8.355 -3.474 -9.457 1.00 0.00 C ATOM 900 C LYS A 63 8.799 -3.417 -7.998 1.00 0.00 C ATOM 901 O LYS A 63 8.212 -4.045 -7.191 1.00 0.00 O ATOM 902 CB LYS A 63 8.797 -4.778 -10.183 1.00 0.00 C ATOM 903 CG LYS A 63 8.414 -6.081 -9.441 1.00 0.00 C ATOM 904 CD LYS A 63 6.914 -6.135 -9.096 1.00 0.00 C ATOM 905 CE LYS A 63 6.590 -7.268 -8.159 1.00 0.00 C ATOM 906 NZ LYS A 63 5.207 -7.170 -7.621 1.00 0.00 N1+ ATOM 0 H LYS A 63 9.568 -2.366 -10.716 1.00 0.00 H new ATOM 0 HA LYS A 63 7.266 -3.518 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.351 -4.795 -11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.878 -4.756 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.674 -6.939 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.999 -6.161 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.613 -5.191 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.335 -6.246 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.708 -8.216 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.301 -7.269 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.180 -7.564 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.914 -6.172 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.558 -7.705 -8.232 1.00 0.00 H new ATOM 920 N ARG A 64 9.844 -2.667 -7.684 1.00 0.00 N ATOM 921 CA ARG A 64 10.325 -2.550 -6.290 1.00 0.00 C ATOM 922 C ARG A 64 9.223 -2.088 -5.362 1.00 0.00 C ATOM 923 O ARG A 64 8.981 -2.706 -4.310 1.00 0.00 O ATOM 924 CB ARG A 64 11.497 -1.604 -6.174 1.00 0.00 C ATOM 925 CG ARG A 64 12.718 -2.045 -6.919 1.00 0.00 C ATOM 926 CD ARG A 64 13.835 -1.079 -6.693 1.00 0.00 C ATOM 927 NE ARG A 64 15.067 -1.447 -7.373 1.00 0.00 N ATOM 928 CZ ARG A 64 15.973 -0.561 -7.773 1.00 0.00 C ATOM 929 NH1 ARG A 64 15.665 0.743 -7.792 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 17.170 -0.976 -8.198 1.00 0.00 N ATOM 0 H ARG A 64 10.382 -2.127 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 64 10.650 -3.548 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.195 -0.623 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.751 -1.485 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.015 -3.040 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.498 -2.115 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.524 -0.091 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.029 -1.003 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 64 15.245 -2.435 -7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.738 1.052 -7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.358 1.426 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.388 -1.972 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.866 -0.296 -8.505 1.00 0.00 H new ATOM 944 N ALA A 65 8.524 -1.027 -5.759 1.00 0.00 N ATOM 945 CA ALA A 65 7.424 -0.543 -4.969 1.00 0.00 C ATOM 946 C ALA A 65 6.316 -1.588 -4.943 1.00 0.00 C ATOM 947 O ALA A 65 5.797 -1.937 -3.894 1.00 0.00 O ATOM 948 CB ALA A 65 6.885 0.779 -5.489 1.00 0.00 C ATOM 0 H ALA A 65 8.706 -0.500 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 65 7.791 -0.367 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.056 1.106 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.676 1.529 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.536 0.652 -6.514 1.00 0.00 H new ATOM 954 N GLY A 66 6.035 -2.142 -6.118 1.00 0.00 N ATOM 955 CA GLY A 66 4.987 -3.139 -6.288 1.00 0.00 C ATOM 956 C GLY A 66 5.298 -4.484 -5.627 1.00 0.00 C ATOM 957 O GLY A 66 4.422 -5.311 -5.480 1.00 0.00 O ATOM 0 H GLY A 66 6.529 -1.911 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.057 -2.749 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.820 -3.299 -7.353 1.00 0.00 H new ATOM 961 N LYS A 67 6.558 -4.718 -5.331 1.00 0.00 N ATOM 962 CA LYS A 67 7.042 -5.936 -4.676 1.00 0.00 C ATOM 963 C LYS A 67 6.686 -5.870 -3.220 1.00 0.00 C ATOM 964 O LYS A 67 6.280 -6.862 -2.622 1.00 0.00 O ATOM 965 CB LYS A 67 8.581 -6.042 -4.843 1.00 0.00 C ATOM 966 CG LYS A 67 9.262 -7.188 -4.090 1.00 0.00 C ATOM 967 CD LYS A 67 8.974 -8.564 -4.667 1.00 0.00 C ATOM 968 CE LYS A 67 9.556 -9.673 -3.771 1.00 0.00 C ATOM 969 NZ LYS A 67 10.998 -9.469 -3.446 1.00 0.00 N1+ ATOM 0 H LYS A 67 7.303 -4.054 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 67 6.581 -6.814 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.805 -6.148 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.027 -5.103 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.339 -7.022 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.940 -7.167 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.897 -8.701 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.400 -8.639 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.984 -9.720 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.435 -10.635 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.366 -10.310 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.534 -9.317 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.101 -8.638 -2.829 1.00 0.00 H new ATOM 983 N LEU A 68 6.833 -4.680 -2.666 1.00 0.00 N ATOM 984 CA LEU A 68 6.498 -4.415 -1.283 1.00 0.00 C ATOM 985 C LEU A 68 5.090 -4.739 -1.014 1.00 0.00 C ATOM 986 O LEU A 68 4.785 -5.429 -0.061 1.00 0.00 O ATOM 987 CB LEU A 68 6.718 -2.960 -0.962 1.00 0.00 C ATOM 988 CG LEU A 68 6.008 -2.420 0.293 1.00 0.00 C ATOM 989 CD1 LEU A 68 6.729 -2.755 1.530 1.00 0.00 C ATOM 990 CD2 LEU A 68 5.737 -0.958 0.221 1.00 0.00 C ATOM 0 H LEU A 68 7.190 -3.867 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 68 7.142 -5.039 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.789 -2.794 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.394 -2.369 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 68 5.043 -2.926 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.189 -2.352 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.805 -3.838 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.729 -2.323 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.235 -0.636 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.678 -0.418 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.099 -0.748 -0.637 1.00 0.00 H new ATOM 1002 N LEU A 69 4.247 -4.265 -1.898 1.00 0.00 N ATOM 1003 CA LEU A 69 2.825 -4.366 -1.751 1.00 0.00 C ATOM 1004 C LEU A 69 2.418 -5.851 -1.649 1.00 0.00 C ATOM 1005 O LEU A 69 1.442 -6.190 -0.970 1.00 0.00 O ATOM 1006 CB LEU A 69 2.112 -3.642 -2.930 1.00 0.00 C ATOM 1007 CG LEU A 69 2.723 -2.280 -3.401 1.00 0.00 C ATOM 1008 CD1 LEU A 69 1.829 -1.566 -4.397 1.00 0.00 C ATOM 1009 CD2 LEU A 69 3.128 -1.359 -2.233 1.00 0.00 C ATOM 0 H LEU A 69 4.540 -3.791 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 69 2.512 -3.872 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.096 -4.319 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.075 -3.467 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 69 3.647 -2.535 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.294 -0.626 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.688 -2.196 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.862 -1.362 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.544 -0.432 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.251 -1.133 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.876 -1.859 -1.618 1.00 0.00 H new ATOM 1021 N ASP A 70 3.231 -6.723 -2.279 1.00 0.00 N ATOM 1022 CA ASP A 70 3.038 -8.169 -2.219 1.00 0.00 C ATOM 1023 C ASP A 70 3.428 -8.700 -0.845 1.00 0.00 C ATOM 1024 O ASP A 70 2.606 -9.211 -0.091 1.00 0.00 O ATOM 1025 CB ASP A 70 3.905 -8.951 -3.254 1.00 0.00 C ATOM 1026 CG ASP A 70 3.561 -8.748 -4.709 1.00 0.00 C ATOM 1027 OD1 ASP A 70 2.424 -9.034 -5.115 1.00 0.00 O1- ATOM 1028 OD2 ASP A 70 4.444 -8.317 -5.492 1.00 0.00 O ATOM 0 H ASP A 70 4.034 -6.437 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 70 1.982 -8.326 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.948 -8.670 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.827 -10.015 -3.030 1.00 0.00 H new ATOM 1033 N TYR A 71 4.683 -8.519 -0.517 1.00 0.00 N ATOM 1034 CA TYR A 71 5.304 -9.133 0.653 1.00 0.00 C ATOM 1035 C TYR A 71 4.758 -8.738 2.040 1.00 0.00 C ATOM 1036 O TYR A 71 5.049 -9.414 3.008 1.00 0.00 O ATOM 1037 CB TYR A 71 6.867 -9.129 0.601 1.00 0.00 C ATOM 1038 CG TYR A 71 7.626 -7.784 0.447 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.534 -6.771 1.379 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.534 -7.597 -0.592 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.305 -5.636 1.280 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.291 -6.435 -0.697 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.170 -5.473 0.249 1.00 0.00 C ATOM 1044 OH TYR A 71 9.935 -4.328 0.174 1.00 0.00 O ATOM 0 H TYR A 71 5.320 -7.934 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 71 4.969 -10.166 0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.225 -9.602 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.167 -9.770 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.843 -6.871 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.653 -8.373 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.220 -4.866 2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.970 -6.301 -1.526 1.00 0.00 H new ATOM 0 HH TYR A 71 10.838 -4.515 0.507 1.00 0.00 H new ATOM 1054 N LEU A 72 3.991 -7.667 2.118 1.00 0.00 N ATOM 1055 CA LEU A 72 3.678 -7.032 3.411 1.00 0.00 C ATOM 1056 C LEU A 72 3.016 -7.871 4.541 1.00 0.00 C ATOM 1057 O LEU A 72 3.701 -8.274 5.467 1.00 0.00 O ATOM 1058 CB LEU A 72 2.676 -5.941 3.108 1.00 0.00 C ATOM 1059 CG LEU A 72 3.156 -4.818 2.269 1.00 0.00 C ATOM 1060 CD1 LEU A 72 1.998 -4.066 1.708 1.00 0.00 C ATOM 1061 CD2 LEU A 72 3.949 -3.911 3.107 1.00 0.00 C ATOM 0 H LEU A 72 3.568 -7.210 1.310 1.00 0.00 H new ATOM 0 HA LEU A 72 4.656 -6.754 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.817 -6.394 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.320 -5.533 4.054 1.00 0.00 H new ATOM 0 HG LEU A 72 3.759 -5.210 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.362 -3.243 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.391 -4.735 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.392 -3.670 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.309 -3.079 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.329 -3.529 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.799 -4.451 3.524 1.00 0.00 H new ATOM 1073 N GLN A 73 1.688 -8.098 4.497 1.00 0.00 N ATOM 1074 CA GLN A 73 1.105 -8.749 5.677 1.00 0.00 C ATOM 1075 C GLN A 73 0.785 -10.256 5.629 1.00 0.00 C ATOM 1076 O GLN A 73 1.323 -11.058 6.372 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.151 -7.949 6.116 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.086 -7.673 4.955 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.217 -6.818 5.195 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -2.236 -5.983 6.087 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -3.112 -6.923 4.294 1.00 0.00 N ATOM 0 H GLN A 73 1.053 -7.865 3.734 1.00 0.00 H new ATOM 0 HA GLN A 73 1.919 -8.724 6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.684 -8.506 6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.159 -7.005 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.499 -7.233 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.460 -8.630 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.033 -7.645 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.908 -6.285 4.289 1.00 0.00 H new ATOM 1090 N GLU A 74 -0.122 -10.585 4.735 1.00 0.00 N ATOM 1091 CA GLU A 74 -0.736 -11.910 4.684 1.00 0.00 C ATOM 1092 C GLU A 74 -0.773 -12.538 3.286 1.00 0.00 C ATOM 1093 O GLU A 74 -0.438 -13.686 3.040 1.00 0.00 O ATOM 1094 CB GLU A 74 -2.175 -11.605 5.141 1.00 0.00 C ATOM 1095 CG GLU A 74 -3.224 -12.686 5.065 1.00 0.00 C ATOM 1096 CD GLU A 74 -4.597 -12.046 5.198 1.00 0.00 C ATOM 1097 OE1 GLU A 74 -5.055 -11.795 6.316 1.00 0.00 O1- ATOM 1098 OE2 GLU A 74 -5.206 -11.667 4.161 1.00 0.00 O ATOM 0 H GLU A 74 -0.461 -9.945 4.017 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.179 -12.629 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.125 -11.271 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.533 -10.761 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.147 -13.221 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.070 -13.418 5.858 1.00 0.00 H new ATOM 1105 N ASN A 75 -1.163 -11.673 2.413 1.00 0.00 N ATOM 1106 CA ASN A 75 -1.798 -11.966 1.158 1.00 0.00 C ATOM 1107 C ASN A 75 -1.489 -10.847 0.223 1.00 0.00 C ATOM 1108 O ASN A 75 -2.070 -9.822 0.445 1.00 0.00 O ATOM 1109 CB ASN A 75 -3.323 -12.129 1.341 1.00 0.00 C ATOM 1110 CG ASN A 75 -4.064 -12.625 0.097 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -3.682 -12.366 -1.038 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -5.140 -13.341 0.317 1.00 0.00 N ATOM 0 H ASN A 75 -1.041 -10.671 2.561 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.424 -12.907 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.505 -12.826 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.744 -11.169 1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.684 -13.699 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.433 -13.540 1.273 1.00 0.00 H new ATOM 1119 N PRO A 76 -0.419 -10.956 -0.640 1.00 0.00 N ATOM 1120 CA PRO A 76 0.206 -9.879 -1.545 1.00 0.00 C ATOM 1121 C PRO A 76 -0.644 -8.622 -2.014 1.00 0.00 C ATOM 1122 O PRO A 76 -0.143 -7.730 -2.693 1.00 0.00 O ATOM 1123 CB PRO A 76 0.601 -10.721 -2.741 1.00 0.00 C ATOM 1124 CG PRO A 76 1.118 -11.983 -2.133 1.00 0.00 C ATOM 1125 CD PRO A 76 0.318 -12.225 -0.858 1.00 0.00 C ATOM 0 HA PRO A 76 0.977 -9.353 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.250 -10.911 -3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.362 -10.227 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.004 -12.818 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.181 -11.896 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.365 -13.067 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.971 -12.455 -0.016 1.00 0.00 H new ATOM 1133 N LYS A 77 -1.869 -8.617 -1.715 1.00 0.00 N ATOM 1134 CA LYS A 77 -2.734 -7.464 -1.776 1.00 0.00 C ATOM 1135 C LYS A 77 -2.690 -6.791 -0.337 1.00 0.00 C ATOM 1136 O LYS A 77 -3.642 -6.205 0.132 1.00 0.00 O ATOM 1137 CB LYS A 77 -4.146 -7.966 -2.168 1.00 0.00 C ATOM 1138 CG LYS A 77 -4.698 -9.073 -1.268 1.00 0.00 C ATOM 1139 CD LYS A 77 -5.801 -9.888 -1.951 1.00 0.00 C ATOM 1140 CE LYS A 77 -7.036 -9.074 -2.272 1.00 0.00 C ATOM 1141 NZ LYS A 77 -7.623 -8.500 -1.061 1.00 0.00 N1+ ATOM 0 H LYS A 77 -2.353 -9.457 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.432 -6.721 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.836 -7.122 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.116 -8.331 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.886 -9.739 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.091 -8.631 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.408 -10.318 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.081 -10.720 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.777 -8.275 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.771 -9.706 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.615 -8.247 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.579 -9.197 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.092 -7.648 -0.788 1.00 0.00 H new ATOM 1155 N GLY A 78 -1.477 -6.846 0.262 1.00 0.00 N ATOM 1156 CA GLY A 78 -1.151 -6.484 1.671 1.00 0.00 C ATOM 1157 C GLY A 78 -1.148 -5.009 2.049 1.00 0.00 C ATOM 1158 O GLY A 78 -0.832 -4.668 3.187 1.00 0.00 O ATOM 0 H GLY A 78 -0.652 -7.161 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.864 -6.993 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.165 -6.889 1.900 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.426 -4.176 1.108 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.259 -2.705 1.175 1.00 0.00 C ATOM 1164 C LEU A 79 -1.913 -2.007 2.366 1.00 0.00 C ATOM 1165 O LEU A 79 -1.517 -0.895 2.692 1.00 0.00 O ATOM 1166 CB LEU A 79 -1.691 -2.024 -0.133 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.922 -2.419 -1.401 1.00 0.00 C ATOM 1168 CD1 LEU A 79 -1.183 -3.845 -1.789 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.254 -1.515 -2.542 1.00 0.00 C ATOM 0 H LEU A 79 -1.798 -4.485 0.210 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.186 -2.584 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.748 -2.237 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.600 -0.946 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 79 0.138 -2.316 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.620 -4.085 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.871 -4.505 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.248 -3.982 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.693 -1.822 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.322 -1.572 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.990 -0.490 -2.283 1.00 0.00 H new ATOM 1181 N ASP A 80 -2.876 -2.664 2.993 1.00 0.00 N ATOM 1182 CA ASP A 80 -3.707 -2.137 4.107 1.00 0.00 C ATOM 1183 C ASP A 80 -3.004 -1.132 5.031 1.00 0.00 C ATOM 1184 O ASP A 80 -3.456 0.001 5.191 1.00 0.00 O ATOM 1185 CB ASP A 80 -4.228 -3.275 4.996 1.00 0.00 C ATOM 1186 CG ASP A 80 -5.259 -4.153 4.363 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -4.876 -5.091 3.659 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -6.472 -3.937 4.607 1.00 0.00 O1- ATOM 0 H ASP A 80 -3.124 -3.621 2.742 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.513 -1.612 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.383 -3.894 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.649 -2.842 5.904 1.00 0.00 H new ATOM 1193 N THR A 81 -1.913 -1.546 5.632 1.00 0.00 N ATOM 1194 CA THR A 81 -1.225 -0.724 6.615 1.00 0.00 C ATOM 1195 C THR A 81 -0.510 0.496 5.974 1.00 0.00 C ATOM 1196 O THR A 81 -0.389 1.567 6.603 1.00 0.00 O ATOM 1197 CB THR A 81 -0.223 -1.569 7.478 1.00 0.00 C ATOM 1198 OG1 THR A 81 0.290 -0.790 8.582 1.00 0.00 O ATOM 1199 CG2 THR A 81 0.948 -2.083 6.636 1.00 0.00 C ATOM 0 H THR A 81 -1.476 -2.452 5.460 1.00 0.00 H new ATOM 0 HA THR A 81 -1.996 -0.333 7.279 1.00 0.00 H new ATOM 0 HB THR A 81 -0.778 -2.424 7.865 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.911 -1.337 9.107 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.622 -2.664 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.569 -2.714 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.488 -1.238 6.210 1.00 0.00 H new ATOM 1207 N LEU A 82 -0.090 0.352 4.721 1.00 0.00 N ATOM 1208 CA LEU A 82 0.730 1.361 4.033 1.00 0.00 C ATOM 1209 C LEU A 82 -0.033 2.589 3.782 1.00 0.00 C ATOM 1210 O LEU A 82 0.505 3.692 3.816 1.00 0.00 O ATOM 1211 CB LEU A 82 1.121 0.896 2.664 1.00 0.00 C ATOM 1212 CG LEU A 82 1.837 -0.458 2.552 1.00 0.00 C ATOM 1213 CD1 LEU A 82 2.352 -0.610 1.149 1.00 0.00 C ATOM 1214 CD2 LEU A 82 2.973 -0.598 3.590 1.00 0.00 C ATOM 0 H LEU A 82 -0.305 -0.464 4.149 1.00 0.00 H new ATOM 0 HA LEU A 82 1.589 1.529 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.219 0.851 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.767 1.655 2.223 1.00 0.00 H new ATOM 0 HG LEU A 82 1.129 -1.257 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.864 -1.567 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.517 -0.572 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.049 0.198 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.453 -1.570 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.709 0.191 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.560 -0.513 4.595 1.00 0.00 H new ATOM 1226 N VAL A 83 -1.285 2.394 3.528 1.00 0.00 N ATOM 1227 CA VAL A 83 -2.142 3.431 3.069 1.00 0.00 C ATOM 1228 C VAL A 83 -2.305 4.550 4.126 1.00 0.00 C ATOM 1229 O VAL A 83 -2.605 5.691 3.801 1.00 0.00 O ATOM 1230 CB VAL A 83 -3.499 2.849 2.590 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -3.320 1.569 1.776 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -4.554 2.717 3.683 1.00 0.00 C ATOM 0 H VAL A 83 -1.747 1.491 3.637 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.675 3.904 2.205 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.909 3.601 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.296 1.198 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.712 1.779 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.825 0.815 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.468 2.303 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.185 2.055 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.764 3.699 4.107 1.00 0.00 H new ATOM 1242 N GLU A 84 -2.030 4.199 5.372 1.00 0.00 N ATOM 1243 CA GLU A 84 -2.039 5.133 6.479 1.00 0.00 C ATOM 1244 C GLU A 84 -0.838 6.076 6.368 1.00 0.00 C ATOM 1245 O GLU A 84 -0.948 7.252 6.638 1.00 0.00 O ATOM 1246 CB GLU A 84 -2.047 4.324 7.812 1.00 0.00 C ATOM 1247 CG GLU A 84 -1.901 5.110 9.133 1.00 0.00 C ATOM 1248 CD GLU A 84 -0.483 5.596 9.399 1.00 0.00 C ATOM 1249 OE1 GLU A 84 0.431 4.746 9.479 1.00 0.00 O1- ATOM 1250 OE2 GLU A 84 -0.273 6.822 9.493 1.00 0.00 O ATOM 0 H GLU A 84 -1.792 3.245 5.643 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.933 5.756 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.981 3.763 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.239 3.594 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.572 5.968 9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.220 4.476 9.960 1.00 0.00 H new ATOM 1257 N SER A 85 0.274 5.566 5.899 1.00 0.00 N ATOM 1258 CA SER A 85 1.492 6.338 5.839 1.00 0.00 C ATOM 1259 C SER A 85 1.452 7.393 4.735 1.00 0.00 C ATOM 1260 O SER A 85 2.183 8.386 4.793 1.00 0.00 O ATOM 1261 CB SER A 85 2.677 5.408 5.716 1.00 0.00 C ATOM 1262 OG SER A 85 2.666 4.506 6.812 1.00 0.00 O ATOM 0 H SER A 85 0.361 4.611 5.550 1.00 0.00 H new ATOM 0 HA SER A 85 1.597 6.898 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.630 4.859 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.605 5.979 5.706 1.00 0.00 H new ATOM 0 HG SER A 85 2.886 4.989 7.636 1.00 0.00 H new ATOM 1268 N ILE A 86 0.549 7.210 3.759 1.00 0.00 N ATOM 1269 CA ILE A 86 0.351 8.211 2.718 1.00 0.00 C ATOM 1270 C ILE A 86 -0.218 9.525 3.349 1.00 0.00 C ATOM 1271 O ILE A 86 -0.064 10.607 2.823 1.00 0.00 O ATOM 1272 CB ILE A 86 -0.520 7.676 1.492 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.264 6.595 0.689 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.962 8.796 0.565 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.373 6.196 -0.662 1.00 0.00 C ATOM 0 H ILE A 86 -0.046 6.386 3.675 1.00 0.00 H new ATOM 0 HA ILE A 86 1.322 8.440 2.279 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.419 7.227 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.273 6.962 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.359 5.702 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.551 8.380 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.567 9.511 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.085 9.301 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.244 5.439 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.371 5.794 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.442 7.073 -1.305 1.00 0.00 H new ATOM 1287 N ARG A 87 -0.782 9.404 4.541 1.00 0.00 N ATOM 1288 CA ARG A 87 -1.341 10.532 5.305 1.00 0.00 C ATOM 1289 C ARG A 87 -0.273 11.644 5.607 1.00 0.00 C ATOM 1290 O ARG A 87 -0.625 12.802 5.914 1.00 0.00 O ATOM 1291 CB ARG A 87 -1.944 9.976 6.606 1.00 0.00 C ATOM 1292 CG ARG A 87 -2.545 10.960 7.562 1.00 0.00 C ATOM 1293 CD ARG A 87 -3.155 10.224 8.747 1.00 0.00 C ATOM 1294 NE ARG A 87 -2.174 9.362 9.458 1.00 0.00 N ATOM 1295 CZ ARG A 87 -1.984 9.322 10.791 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -2.662 10.148 11.605 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -1.130 8.451 11.301 1.00 0.00 N ATOM 0 H ARG A 87 -0.870 8.508 5.021 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.111 11.017 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.714 9.253 6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.162 9.429 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.781 11.656 7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.309 11.551 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.567 10.951 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.986 9.610 8.399 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.594 8.747 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.329 10.814 11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.510 10.109 12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.621 7.816 10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.980 8.414 12.309 1.00 0.00 H new ATOM 1311 N ARG A 88 1.010 11.290 5.583 1.00 0.00 N ATOM 1312 CA ARG A 88 2.097 12.267 5.818 1.00 0.00 C ATOM 1313 C ARG A 88 2.607 12.893 4.525 1.00 0.00 C ATOM 1314 O ARG A 88 3.282 13.913 4.536 1.00 0.00 O ATOM 1315 CB ARG A 88 3.246 11.635 6.622 1.00 0.00 C ATOM 1316 CG ARG A 88 2.860 11.154 8.034 1.00 0.00 C ATOM 1317 CD ARG A 88 2.419 12.305 8.965 1.00 0.00 C ATOM 1318 NE ARG A 88 1.203 12.996 8.482 1.00 0.00 N ATOM 1319 CZ ARG A 88 0.782 14.210 8.856 1.00 0.00 C ATOM 1320 NH1 ARG A 88 1.388 14.863 9.858 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 -0.251 14.769 8.215 1.00 0.00 N ATOM 0 H ARG A 88 1.333 10.339 5.405 1.00 0.00 H new ATOM 0 HA ARG A 88 1.671 13.076 6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.640 10.788 6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.053 12.363 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.051 10.427 7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.710 10.638 8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.234 11.909 9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.231 13.027 9.054 1.00 0.00 H new ATOM 0 HE ARG A 88 0.631 12.500 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.177 14.435 10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.060 15.788 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.708 14.270 7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.582 15.694 8.490 1.00 0.00 H new ATOM 1335 N GLU A 89 2.199 12.307 3.447 1.00 0.00 N ATOM 1336 CA GLU A 89 2.662 12.605 2.105 1.00 0.00 C ATOM 1337 C GLU A 89 2.099 13.896 1.494 1.00 0.00 C ATOM 1338 O GLU A 89 2.490 14.248 0.397 1.00 0.00 O ATOM 1339 CB GLU A 89 2.549 11.398 1.182 1.00 0.00 C ATOM 1340 CG GLU A 89 3.181 10.140 1.780 1.00 0.00 C ATOM 1341 CD GLU A 89 4.597 10.346 2.273 1.00 0.00 C ATOM 1342 OE1 GLU A 89 5.535 10.260 1.468 1.00 0.00 O ATOM 1343 OE2 GLU A 89 4.793 10.561 3.492 1.00 0.00 O1- ATOM 0 H GLU A 89 1.497 11.567 3.465 1.00 0.00 H new ATOM 0 HA GLU A 89 3.724 12.824 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.498 11.206 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.031 11.626 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.564 9.793 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.179 9.350 1.028 1.00 0.00 H new ATOM 1350 N LYS A 90 1.063 14.486 2.161 1.00 0.00 N ATOM 1351 CA LYS A 90 0.259 15.721 1.739 1.00 0.00 C ATOM 1352 C LYS A 90 0.956 16.854 0.912 1.00 0.00 C ATOM 1353 O LYS A 90 0.268 17.793 0.509 1.00 0.00 O ATOM 1354 CB LYS A 90 -0.481 16.356 2.946 1.00 0.00 C ATOM 1355 CG LYS A 90 -1.864 15.769 3.278 1.00 0.00 C ATOM 1356 CD LYS A 90 -2.900 16.106 2.188 1.00 0.00 C ATOM 1357 CE LYS A 90 -4.295 15.553 2.511 1.00 0.00 C ATOM 1358 NZ LYS A 90 -5.249 15.732 1.368 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.734 14.112 3.051 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.420 15.270 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.153 16.259 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.598 17.423 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.785 14.687 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.205 16.159 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.960 17.188 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.564 15.700 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.217 14.494 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.689 16.056 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.174 15.330 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.357 16.746 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.879 15.245 0.527 1.00 0.00 H new ATOM 1372 N THR A 91 2.246 16.775 0.648 1.00 0.00 N ATOM 1373 CA THR A 91 2.886 17.678 -0.283 1.00 0.00 C ATOM 1374 C THR A 91 2.368 17.324 -1.694 1.00 0.00 C ATOM 1375 O THR A 91 2.337 18.149 -2.607 1.00 0.00 O ATOM 1376 CB THR A 91 4.423 17.544 -0.205 1.00 0.00 C ATOM 1377 OG1 THR A 91 4.788 16.155 -0.236 1.00 0.00 O ATOM 1378 CG2 THR A 91 4.957 18.181 1.071 1.00 0.00 C ATOM 0 H THR A 91 2.873 16.089 1.069 1.00 0.00 H new ATOM 0 HA THR A 91 2.647 18.714 -0.041 1.00 0.00 H new ATOM 0 HB THR A 91 4.859 18.060 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.763 16.072 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.041 18.075 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.695 19.239 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.517 17.686 1.937 1.00 0.00 H new ATOM 1386 N GLN A 92 1.982 16.062 -1.841 1.00 0.00 N ATOM 1387 CA GLN A 92 1.249 15.578 -2.981 1.00 0.00 C ATOM 1388 C GLN A 92 -0.150 15.253 -2.491 1.00 0.00 C ATOM 1389 O GLN A 92 -0.504 14.104 -2.231 1.00 0.00 O ATOM 1390 CB GLN A 92 1.926 14.367 -3.630 1.00 0.00 C ATOM 1391 CG GLN A 92 3.255 14.698 -4.293 1.00 0.00 C ATOM 1392 CD GLN A 92 3.094 15.654 -5.468 1.00 0.00 C ATOM 1393 OE1 GLN A 92 2.918 15.231 -6.600 1.00 0.00 O ATOM 1394 NE2 GLN A 92 3.119 16.940 -5.205 1.00 0.00 N ATOM 0 H GLN A 92 2.180 15.339 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 92 1.216 16.335 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.088 13.601 -2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.254 13.941 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.925 15.141 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.725 13.777 -4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.268 17.262 -4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.989 17.617 -5.957 1.00 0.00 H new ATOM 1403 N ASN A 93 -0.912 16.307 -2.316 1.00 0.00 N ATOM 1404 CA ASN A 93 -2.230 16.296 -1.661 1.00 0.00 C ATOM 1405 C ASN A 93 -3.263 15.371 -2.303 1.00 0.00 C ATOM 1406 O ASN A 93 -4.194 14.907 -1.605 1.00 0.00 O ATOM 1407 CB ASN A 93 -2.804 17.732 -1.547 1.00 0.00 C ATOM 1408 CG ASN A 93 -3.106 18.387 -2.902 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -2.473 18.092 -3.905 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -4.061 19.287 -2.929 1.00 0.00 N ATOM 0 H ASN A 93 -0.635 17.237 -2.632 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.041 15.885 -0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.720 17.702 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.094 18.355 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.291 19.760 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.573 19.513 -2.076 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.103 15.109 -3.589 1.00 0.00 N ATOM 1418 CA PHE A 94 -4.031 14.292 -4.367 1.00 0.00 C ATOM 1419 C PHE A 94 -4.161 12.864 -3.826 1.00 0.00 C ATOM 1420 O PHE A 94 -5.259 12.439 -3.475 1.00 0.00 O ATOM 1421 CB PHE A 94 -3.616 14.274 -5.852 1.00 0.00 C ATOM 1422 CG PHE A 94 -4.509 13.430 -6.734 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -5.746 13.901 -7.145 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -4.104 12.167 -7.152 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -6.563 13.132 -7.952 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -4.918 11.394 -7.958 1.00 0.00 C ATOM 1427 CZ PHE A 94 -6.148 11.877 -8.358 1.00 0.00 C ATOM 0 H PHE A 94 -2.315 15.461 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.014 14.753 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.613 15.297 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.594 13.903 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.075 14.880 -6.831 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.142 11.786 -6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.525 13.511 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.593 10.414 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.786 11.275 -8.988 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.030 12.159 -3.716 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.004 10.728 -3.311 1.00 0.00 C ATOM 1439 C LEU A 95 -3.715 10.506 -2.010 1.00 0.00 C ATOM 1440 O LEU A 95 -4.508 9.594 -1.866 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.561 10.199 -3.140 1.00 0.00 C ATOM 1442 CG LEU A 95 -0.687 10.024 -4.390 1.00 0.00 C ATOM 1443 CD1 LEU A 95 -1.396 9.220 -5.435 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -0.211 11.332 -4.945 1.00 0.00 C ATOM 0 H LEU A 95 -2.107 12.551 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.507 10.191 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.039 10.876 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.620 9.232 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 95 0.201 9.473 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.754 9.112 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.635 8.234 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.317 9.728 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.403 11.151 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.070 11.945 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.381 11.853 -4.192 1.00 0.00 H new ATOM 1456 N ILE A 96 -3.465 11.407 -1.109 1.00 0.00 N ATOM 1457 CA ILE A 96 -3.923 11.321 0.263 1.00 0.00 C ATOM 1458 C ILE A 96 -5.437 11.428 0.332 1.00 0.00 C ATOM 1459 O ILE A 96 -6.067 10.915 1.237 1.00 0.00 O ATOM 1460 CB ILE A 96 -3.362 12.477 1.117 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -2.070 13.108 0.527 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -3.135 12.014 2.549 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -0.882 12.205 0.370 1.00 0.00 C ATOM 0 H ILE A 96 -2.923 12.249 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.577 10.360 0.643 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.114 13.266 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.312 13.523 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.779 13.943 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.739 12.840 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.080 11.681 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.423 11.189 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.050 12.769 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.596 11.808 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.137 11.381 -0.297 1.00 0.00 H new ATOM 1475 N GLN A 97 -6.001 12.125 -0.620 1.00 0.00 N ATOM 1476 CA GLN A 97 -7.415 12.359 -0.627 1.00 0.00 C ATOM 1477 C GLN A 97 -8.085 11.202 -1.353 1.00 0.00 C ATOM 1478 O GLN A 97 -9.075 10.641 -0.880 1.00 0.00 O ATOM 1479 CB GLN A 97 -7.705 13.677 -1.342 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.014 14.308 -0.934 1.00 0.00 C ATOM 1481 CD GLN A 97 -8.990 14.747 0.522 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -7.923 15.122 1.071 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -10.121 14.697 1.161 1.00 0.00 N ATOM 0 H GLN A 97 -5.496 12.541 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.800 12.425 0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.895 14.377 -1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.714 13.503 -2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.219 15.168 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.826 13.597 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.965 14.387 0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.164 14.968 2.143 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.447 10.818 -2.454 1.00 0.00 N ATOM 1493 CA LYS A 98 -7.875 9.758 -3.365 1.00 0.00 C ATOM 1494 C LYS A 98 -7.954 8.360 -2.680 1.00 0.00 C ATOM 1495 O LYS A 98 -8.584 7.432 -3.202 1.00 0.00 O ATOM 1496 CB LYS A 98 -6.938 9.808 -4.624 1.00 0.00 C ATOM 1497 CG LYS A 98 -6.955 8.615 -5.580 1.00 0.00 C ATOM 1498 CD LYS A 98 -8.341 8.241 -6.070 1.00 0.00 C ATOM 1499 CE LYS A 98 -8.971 9.222 -7.032 1.00 0.00 C ATOM 1500 NZ LYS A 98 -10.361 8.805 -7.336 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.576 11.257 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.903 9.929 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.196 10.699 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.914 9.940 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.325 8.842 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.513 7.754 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.287 7.266 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.997 8.132 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.968 10.222 -6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.387 9.270 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.489 8.749 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.544 7.873 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.026 9.501 -6.942 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.340 8.224 -1.513 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.427 6.980 -0.739 1.00 0.00 C ATOM 1516 C ILE A 99 -8.904 6.668 -0.430 1.00 0.00 C ATOM 1517 O ILE A 99 -9.351 5.525 -0.544 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.648 7.089 0.611 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.177 7.437 0.360 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -6.757 5.782 1.410 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -4.371 7.664 1.622 1.00 0.00 C ATOM 0 H ILE A 99 -6.776 8.954 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.981 6.185 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.099 7.890 1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.717 6.631 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.127 8.335 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.207 5.881 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.805 5.573 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.336 4.963 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.341 7.905 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.804 8.490 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.387 6.760 2.231 1.00 0.00 H new ATOM 1533 N THR A 100 -9.648 7.712 -0.107 1.00 0.00 N ATOM 1534 CA THR A 100 -11.045 7.617 0.268 1.00 0.00 C ATOM 1535 C THR A 100 -11.872 7.007 -0.880 1.00 0.00 C ATOM 1536 O THR A 100 -12.589 6.009 -0.691 1.00 0.00 O ATOM 1537 CB THR A 100 -11.582 9.031 0.562 1.00 0.00 C ATOM 1538 OG1 THR A 100 -10.613 9.751 1.346 1.00 0.00 O ATOM 1539 CG2 THR A 100 -12.898 8.964 1.331 1.00 0.00 C ATOM 0 H THR A 100 -9.289 8.667 -0.098 1.00 0.00 H new ATOM 0 HA THR A 100 -11.130 6.981 1.149 1.00 0.00 H new ATOM 0 HB THR A 100 -11.758 9.541 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.016 10.250 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.257 9.974 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.638 8.424 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.741 8.445 2.277 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.716 7.605 -2.053 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.433 7.260 -3.284 1.00 0.00 C ATOM 1549 C ASP A 101 -12.383 5.783 -3.570 1.00 0.00 C ATOM 1550 O ASP A 101 -13.413 5.101 -3.616 1.00 0.00 O ATOM 1551 CB ASP A 101 -11.751 7.912 -4.483 1.00 0.00 C ATOM 1552 CG ASP A 101 -11.590 9.404 -4.439 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -11.140 9.936 -3.414 1.00 0.00 O1- ATOM 1554 OD2 ASP A 101 -11.831 10.037 -5.493 1.00 0.00 O ATOM 0 H ASP A 101 -11.061 8.376 -2.184 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.459 7.597 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.763 7.466 -4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.319 7.657 -5.378 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.172 5.284 -3.731 1.00 0.00 N ATOM 1560 CA GLU A 102 -10.966 3.935 -4.186 1.00 0.00 C ATOM 1561 C GLU A 102 -11.410 2.919 -3.148 1.00 0.00 C ATOM 1562 O GLU A 102 -12.000 1.901 -3.495 1.00 0.00 O ATOM 1563 CB GLU A 102 -9.515 3.700 -4.610 1.00 0.00 C ATOM 1564 CG GLU A 102 -8.962 4.763 -5.575 1.00 0.00 C ATOM 1565 CD GLU A 102 -9.832 5.001 -6.814 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -9.968 4.091 -7.625 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -10.351 6.142 -6.992 1.00 0.00 O1- ATOM 0 H GLU A 102 -10.313 5.804 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.592 3.794 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.888 3.672 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.440 2.721 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.852 5.704 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.965 4.461 -5.897 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.177 3.217 -1.879 1.00 0.00 N ATOM 1575 CA VAL A 103 -11.572 2.312 -0.814 1.00 0.00 C ATOM 1576 C VAL A 103 -13.104 2.187 -0.741 1.00 0.00 C ATOM 1577 O VAL A 103 -13.637 1.086 -0.836 1.00 0.00 O ATOM 1578 CB VAL A 103 -10.963 2.712 0.565 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -11.484 1.818 1.675 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -9.446 2.610 0.515 1.00 0.00 C ATOM 0 H VAL A 103 -10.720 4.073 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.163 1.331 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.260 3.740 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.042 2.121 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.569 1.907 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -11.216 0.783 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.030 2.891 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.158 1.585 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.061 3.280 -0.254 1.00 0.00 H new ATOM 1590 N LEU A 104 -13.803 3.314 -0.671 1.00 0.00 N ATOM 1591 CA LEU A 104 -15.272 3.302 -0.599 1.00 0.00 C ATOM 1592 C LEU A 104 -15.903 2.774 -1.903 1.00 0.00 C ATOM 1593 O LEU A 104 -17.064 2.381 -1.921 1.00 0.00 O ATOM 1594 CB LEU A 104 -15.840 4.693 -0.235 1.00 0.00 C ATOM 1595 CG LEU A 104 -15.817 5.091 1.268 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -14.410 5.131 1.848 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -16.512 6.426 1.472 1.00 0.00 C ATOM 0 H LEU A 104 -13.386 4.245 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.542 2.614 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.281 5.444 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -16.872 4.740 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.358 4.314 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.458 5.415 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.951 4.146 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.812 5.861 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.488 6.691 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.000 7.195 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -17.548 6.351 1.140 1.00 0.00 H new ATOM 1609 N LYS A 105 -15.128 2.772 -2.989 1.00 0.00 N ATOM 1610 CA LYS A 105 -15.563 2.195 -4.266 1.00 0.00 C ATOM 1611 C LYS A 105 -15.678 0.671 -4.154 1.00 0.00 C ATOM 1612 O LYS A 105 -16.631 0.066 -4.649 1.00 0.00 O ATOM 1613 CB LYS A 105 -14.586 2.585 -5.406 1.00 0.00 C ATOM 1614 CG LYS A 105 -14.835 1.871 -6.745 1.00 0.00 C ATOM 1615 CD LYS A 105 -13.930 2.396 -7.874 1.00 0.00 C ATOM 1616 CE LYS A 105 -12.434 2.245 -7.576 1.00 0.00 C ATOM 1617 NZ LYS A 105 -11.983 0.839 -7.464 1.00 0.00 N1+ ATOM 0 H LYS A 105 -14.188 3.167 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.546 2.599 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.650 3.661 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.568 2.372 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.668 0.801 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.879 1.999 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.165 1.863 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.154 3.448 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.865 2.737 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.205 2.765 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.043 0.810 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.658 0.303 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.930 0.415 -8.412 1.00 0.00 H new ATOM 1631 N LEU A 106 -14.733 0.076 -3.449 1.00 0.00 N ATOM 1632 CA LEU A 106 -14.663 -1.378 -3.265 1.00 0.00 C ATOM 1633 C LEU A 106 -15.763 -1.941 -2.373 1.00 0.00 C ATOM 1634 O LEU A 106 -15.907 -3.140 -2.302 1.00 0.00 O ATOM 1635 CB LEU A 106 -13.283 -1.854 -2.761 1.00 0.00 C ATOM 1636 CG LEU A 106 -12.189 -2.174 -3.803 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -12.616 -3.309 -4.721 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -11.796 -0.960 -4.610 1.00 0.00 C ATOM 0 H LEU A 106 -13.983 0.584 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 106 -14.821 -1.777 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.891 -1.087 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.440 -2.749 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.310 -2.494 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.825 -3.510 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -12.804 -4.205 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.526 -3.026 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.024 -1.235 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.668 -0.579 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.412 -0.188 -3.943 1.00 0.00 H new ATOM 1650 N ARG A 107 -16.534 -1.065 -1.709 1.00 0.00 N ATOM 1651 CA ARG A 107 -17.585 -1.426 -0.693 1.00 0.00 C ATOM 1652 C ARG A 107 -18.428 -2.697 -1.008 1.00 0.00 C ATOM 1653 O ARG A 107 -18.900 -3.360 -0.089 1.00 0.00 O ATOM 1654 CB ARG A 107 -18.527 -0.240 -0.463 1.00 0.00 C ATOM 1655 CG ARG A 107 -19.265 0.222 -1.712 1.00 0.00 C ATOM 1656 CD ARG A 107 -20.137 1.428 -1.422 1.00 0.00 C ATOM 1657 NE ARG A 107 -20.775 1.960 -2.640 1.00 0.00 N ATOM 1658 CZ ARG A 107 -21.641 2.989 -2.668 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -22.015 3.583 -1.525 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -22.126 3.426 -3.838 1.00 0.00 N ATOM 0 H ARG A 107 -16.457 -0.058 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.019 -1.671 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -19.259 -0.514 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.951 0.595 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.545 0.470 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.881 -0.592 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.907 1.153 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.533 2.209 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.542 1.515 -3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -21.643 3.255 -0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -22.672 4.363 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -21.839 2.978 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.783 4.206 -3.858 1.00 0.00 H new ATOM 1674 N ASN A 108 -18.598 -3.030 -2.278 1.00 0.00 N ATOM 1675 CA ASN A 108 -19.345 -4.231 -2.670 1.00 0.00 C ATOM 1676 C ASN A 108 -18.609 -5.519 -2.263 1.00 0.00 C ATOM 1677 O ASN A 108 -19.220 -6.440 -1.724 1.00 0.00 O ATOM 1678 CB ASN A 108 -19.647 -4.224 -4.182 1.00 0.00 C ATOM 1679 CG ASN A 108 -20.234 -5.543 -4.691 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -19.512 -6.418 -5.129 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -21.538 -5.685 -4.633 1.00 0.00 N ATOM 0 H ASN A 108 -18.231 -2.489 -3.061 1.00 0.00 H new ATOM 0 HA ASN A 108 -20.293 -4.214 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -20.344 -3.416 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -18.728 -4.009 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -21.972 -6.548 -4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.117 -4.932 -4.260 1.00 0.00 H new ATOM 1688 N ILE A 109 -17.281 -5.528 -2.431 1.00 0.00 N ATOM 1689 CA ILE A 109 -16.456 -6.719 -2.168 1.00 0.00 C ATOM 1690 C ILE A 109 -16.513 -7.124 -0.694 1.00 0.00 C ATOM 1691 O ILE A 109 -16.336 -8.281 -0.347 1.00 0.00 O ATOM 1692 CB ILE A 109 -14.973 -6.608 -2.695 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -14.267 -7.977 -2.685 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -14.162 -5.623 -1.881 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -14.897 -9.011 -3.601 1.00 0.00 C ATOM 0 H ILE A 109 -16.749 -4.718 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 109 -16.903 -7.521 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 109 -15.036 -6.248 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -13.226 -7.838 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -14.265 -8.364 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -13.147 -5.575 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.622 -4.636 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -14.133 -5.948 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -14.339 -9.945 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -15.930 -9.183 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -14.875 -8.648 -4.629 1.00 0.00 H new ATOM 1707 N LYS A 110 -16.768 -6.141 0.160 1.00 0.00 N ATOM 1708 CA LYS A 110 -16.847 -6.323 1.603 1.00 0.00 C ATOM 1709 C LYS A 110 -17.841 -7.435 1.989 1.00 0.00 C ATOM 1710 O LYS A 110 -17.669 -8.086 3.013 1.00 0.00 O ATOM 1711 CB LYS A 110 -17.207 -4.979 2.258 1.00 0.00 C ATOM 1712 CG LYS A 110 -17.098 -4.909 3.787 1.00 0.00 C ATOM 1713 CD LYS A 110 -18.376 -5.328 4.513 1.00 0.00 C ATOM 1714 CE LYS A 110 -19.539 -4.425 4.134 1.00 0.00 C ATOM 1715 NZ LYS A 110 -20.691 -4.596 5.026 1.00 0.00 N1+ ATOM 0 H LYS A 110 -16.928 -5.178 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 110 -15.875 -6.649 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -16.561 -4.210 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.229 -4.726 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.278 -5.549 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.842 -3.890 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -18.617 -6.361 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -18.216 -5.288 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.213 -3.385 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -19.842 -4.637 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -21.382 -3.839 4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -21.135 -5.519 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -20.374 -4.552 6.015 1.00 0.00 H new ATOM 1729 N LEU A 111 -18.836 -7.673 1.146 1.00 0.00 N ATOM 1730 CA LEU A 111 -19.827 -8.712 1.397 1.00 0.00 C ATOM 1731 C LEU A 111 -19.182 -10.097 1.308 1.00 0.00 C ATOM 1732 O LEU A 111 -19.475 -10.969 2.103 1.00 0.00 O ATOM 1733 CB LEU A 111 -20.982 -8.600 0.397 1.00 0.00 C ATOM 1734 CG LEU A 111 -21.738 -7.262 0.384 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -22.816 -7.269 -0.687 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -22.345 -6.961 1.750 1.00 0.00 C ATOM 0 H LEU A 111 -18.979 -7.158 0.277 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.223 -8.576 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.589 -8.781 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -21.697 -9.396 0.608 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.022 -6.474 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.341 -6.314 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -22.358 -7.426 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.524 -8.073 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -22.874 -6.009 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -23.043 -7.753 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -21.552 -6.906 2.496 1.00 0.00 H new ATOM 1748 N GLU A 112 -18.259 -10.248 0.375 1.00 0.00 N ATOM 1749 CA GLU A 112 -17.566 -11.514 0.149 1.00 0.00 C ATOM 1750 C GLU A 112 -16.288 -11.569 1.019 1.00 0.00 C ATOM 1751 O GLU A 112 -15.651 -12.594 1.154 1.00 0.00 O ATOM 1752 CB GLU A 112 -17.175 -11.623 -1.336 1.00 0.00 C ATOM 1753 CG GLU A 112 -18.327 -11.422 -2.335 1.00 0.00 C ATOM 1754 CD GLU A 112 -19.429 -12.456 -2.216 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -19.256 -13.608 -2.689 1.00 0.00 O1- ATOM 1756 OE2 GLU A 112 -20.505 -12.161 -1.631 1.00 0.00 O ATOM 0 H GLU A 112 -17.965 -9.498 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 112 -18.224 -12.340 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -16.401 -10.885 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -16.734 -12.605 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -18.755 -10.430 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -17.925 -11.448 -3.348 1.00 0.00 H new ATOM 1763 N HIS A 113 -15.952 -10.432 1.605 1.00 0.00 N ATOM 1764 CA HIS A 113 -14.733 -10.257 2.421 1.00 0.00 C ATOM 1765 C HIS A 113 -14.885 -10.907 3.809 1.00 0.00 C ATOM 1766 O HIS A 113 -13.899 -11.159 4.498 1.00 0.00 O ATOM 1767 CB HIS A 113 -14.428 -8.733 2.549 1.00 0.00 C ATOM 1768 CG HIS A 113 -13.165 -8.333 3.299 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -12.034 -7.865 2.674 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -12.894 -8.268 4.632 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -11.137 -7.541 3.576 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -11.628 -7.770 4.768 1.00 0.00 N ATOM 0 H HIS A 113 -16.517 -9.586 1.535 1.00 0.00 H new ATOM 0 HA HIS A 113 -13.899 -10.757 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -14.370 -8.315 1.544 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -15.277 -8.260 3.042 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -11.911 -7.782 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.557 -8.557 5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -10.152 -7.149 3.368 1.00 0.00 H new ATOM 1781 N LEU A 114 -16.108 -11.148 4.207 1.00 0.00 N ATOM 1782 CA LEU A 114 -16.412 -11.686 5.535 1.00 0.00 C ATOM 1783 C LEU A 114 -17.366 -12.856 5.422 1.00 0.00 C ATOM 1784 O LEU A 114 -18.059 -13.203 6.376 1.00 0.00 O ATOM 1785 CB LEU A 114 -17.012 -10.550 6.414 1.00 0.00 C ATOM 1786 CG LEU A 114 -18.158 -9.681 5.800 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -19.457 -10.462 5.565 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -18.420 -8.467 6.676 1.00 0.00 C ATOM 0 H LEU A 114 -16.931 -10.981 3.629 1.00 0.00 H new ATOM 0 HA LEU A 114 -15.499 -12.052 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -17.389 -11.001 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -16.199 -9.881 6.697 1.00 0.00 H new ATOM 0 HG LEU A 114 -17.813 -9.360 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -20.209 -9.798 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -19.267 -11.286 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -19.820 -10.858 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -19.220 -7.869 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -18.715 -8.795 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -17.513 -7.866 6.745 1.00 0.00 H new ATOM 1800 N LYS A 115 -17.349 -13.461 4.283 1.00 0.00 N ATOM 1801 CA LYS A 115 -18.310 -14.448 3.927 1.00 0.00 C ATOM 1802 C LYS A 115 -17.697 -15.844 4.025 1.00 0.00 C ATOM 1803 O LYS A 115 -16.950 -16.223 3.098 1.00 0.00 O ATOM 1804 CB LYS A 115 -18.736 -14.144 2.509 1.00 0.00 C ATOM 1805 CG LYS A 115 -19.814 -15.008 1.917 1.00 0.00 C ATOM 1806 CD LYS A 115 -20.064 -14.515 0.524 1.00 0.00 C ATOM 1807 CE LYS A 115 -21.142 -15.260 -0.202 1.00 0.00 C ATOM 1808 NZ LYS A 115 -21.334 -14.670 -1.542 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -17.977 -16.548 5.006 1.00 0.00 O1- ATOM 0 H LYS A 115 -16.653 -13.280 3.560 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.167 -14.428 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -19.074 -13.108 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.856 -14.215 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -19.506 -16.053 1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.724 -14.951 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.331 -13.459 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.139 -14.587 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.874 -16.313 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.073 -15.215 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.094 -15.177 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.592 -13.667 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -20.451 -14.750 -2.086 1.00 0.00 H new TER 1823 LYS A 115