USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HD1:sc= -6.41! C(o=-9.9!,f=-14!) USER MOD Set 1.2: A 81 SER OG : rot 132:sc= -3.48! USER MOD Set 2.1: A 29 ASN : amide:sc= -0.661 K(o=-13,f=-11!) USER MOD Set 2.2: A 74 GLN : amide:sc= -12! C(o=-13!,f=-11!) USER MOD Set 3.1: A 72 LYS NZ :NH3+ -131:sc= -0.0456 (180deg=-0.341) USER MOD Set 3.2: A 86 HIS : no HE2:sc= -3.64! C(o=-3.7!,f=-8.5!) USER MOD Set 4.1: A 61 MET CE :methyl -129:sc= -0.0169 (180deg=0) USER MOD Set 4.2: A 65 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.97) USER MOD Set 5.1: A 45 HIS : no HE2:sc= -0.205 K(o=-9.9,f=-8.8!) USER MOD Set 5.2: A 49 GLN : amide:sc= -9.7! C(o=-9.9!,f=-5.6!) USER MOD Set 6.1: A 6 ASN : amide:sc= 0 X(o=-0.53,f=-0.88) USER MOD Set 6.2: A 48 MET CE :methyl -163:sc= -0.535 (180deg=-1.27) USER MOD Single : A 1 MET CE :methyl -123:sc= -0.0583 (180deg=-0.558) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 20 ASN : amide:sc= -0.0633 K(o=-0.063,f=-1.4) USER MOD Single : A 21 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 24 GLN : amide:sc= -5.17! C(o=-5.2!,f=-4.1!) USER MOD Single : A 27 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.87! C(o=-4.9!,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.559 (180deg=-2.28!) USER MOD Single : A 35 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.058) USER MOD Single : A 36 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-4.9!) USER MOD Single : A 38 GLN : amide:sc= -1.08! K(o=-1.1!,f=-0.012) USER MOD Single : A 39 ASN : amide:sc= -2.56! K(o=-2.6!,f=-0.7) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.033 (180deg=-0.376) USER MOD Single : A 58 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.68) USER MOD Single : A 60 MET CE :methyl 154:sc= -3.53 (180deg=-5.98!) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0435) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 76 GLN : amide:sc= -0.0551 K(o=-0.055,f=-0.72) USER MOD Single : A 80 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) USER MOD Single : A 83 HIS : no HD1:sc= -0.765 K(o=-0.76,f=-1.5) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.931 K(o=-0.93,f=-5.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.74) USER MOD Single : A 95 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-4.2) USER MOD Single : A 101 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.188 -18.879 -9.498 1.00 0.00 N ATOM 2 CA MET A 1 5.287 -17.396 -9.608 1.00 0.00 C ATOM 3 C MET A 1 4.403 -16.910 -10.758 1.00 0.00 C ATOM 4 O MET A 1 4.840 -16.794 -11.886 1.00 0.00 O ATOM 5 CB MET A 1 6.741 -17.001 -9.881 1.00 0.00 C ATOM 6 CG MET A 1 6.930 -15.513 -9.581 1.00 0.00 C ATOM 7 SD MET A 1 8.529 -14.965 -10.232 1.00 0.00 S ATOM 8 CE MET A 1 8.047 -14.871 -11.975 1.00 0.00 C ATOM 0 H1 MET A 1 5.789 -19.210 -8.716 1.00 0.00 H new ATOM 0 H2 MET A 1 4.201 -19.148 -9.314 1.00 0.00 H new ATOM 0 H3 MET A 1 5.506 -19.315 -10.387 1.00 0.00 H new ATOM 0 HA MET A 1 4.955 -16.939 -8.676 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.413 -17.596 -9.262 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.997 -17.209 -10.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.124 -14.935 -10.032 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.884 -15.339 -8.506 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.704 -15.506 -12.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.017 -15.209 -12.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.130 -13.840 -12.320 1.00 0.00 H new ATOM 20 N TYR A 2 3.161 -16.621 -10.481 1.00 0.00 N ATOM 21 CA TYR A 2 2.250 -16.141 -11.559 1.00 0.00 C ATOM 22 C TYR A 2 2.710 -14.763 -12.033 1.00 0.00 C ATOM 23 O TYR A 2 3.333 -14.627 -13.067 1.00 0.00 O ATOM 24 CB TYR A 2 0.822 -16.045 -11.018 1.00 0.00 C ATOM 25 CG TYR A 2 0.785 -16.549 -9.597 1.00 0.00 C ATOM 26 CD1 TYR A 2 1.259 -17.832 -9.297 1.00 0.00 C ATOM 27 CD2 TYR A 2 0.272 -15.736 -8.580 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.221 -18.300 -7.979 1.00 0.00 C ATOM 29 CE2 TYR A 2 0.233 -16.205 -7.263 1.00 0.00 C ATOM 30 CZ TYR A 2 0.708 -17.486 -6.961 1.00 0.00 C ATOM 31 OH TYR A 2 0.668 -17.949 -5.663 1.00 0.00 O ATOM 0 H TYR A 2 2.738 -16.696 -9.556 1.00 0.00 H new ATOM 0 HA TYR A 2 2.273 -16.841 -12.394 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.476 -15.012 -11.057 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.146 -16.632 -11.640 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.654 -18.460 -10.082 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.094 -14.747 -8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.587 -19.289 -7.746 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.164 -15.578 -6.478 1.00 0.00 H new ATOM 0 HH TYR A 2 0.284 -17.260 -5.081 1.00 0.00 H new ATOM 41 N GLY A 3 2.413 -13.737 -11.283 1.00 0.00 N ATOM 42 CA GLY A 3 2.838 -12.370 -11.697 1.00 0.00 C ATOM 43 C GLY A 3 1.782 -11.348 -11.268 1.00 0.00 C ATOM 44 O GLY A 3 2.087 -10.203 -11.003 1.00 0.00 O ATOM 0 H GLY A 3 1.896 -13.786 -10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.799 -12.125 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.975 -12.333 -12.778 1.00 0.00 H new ATOM 48 N LYS A 4 0.544 -11.752 -11.201 1.00 0.00 N ATOM 49 CA LYS A 4 -0.529 -10.802 -10.792 1.00 0.00 C ATOM 50 C LYS A 4 0.015 -9.836 -9.739 1.00 0.00 C ATOM 51 O LYS A 4 -0.082 -8.633 -9.882 1.00 0.00 O ATOM 52 CB LYS A 4 -1.700 -11.581 -10.202 1.00 0.00 C ATOM 53 CG LYS A 4 -2.057 -12.748 -11.126 1.00 0.00 C ATOM 54 CD LYS A 4 -3.560 -13.022 -11.042 1.00 0.00 C ATOM 55 CE LYS A 4 -3.874 -14.363 -11.710 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.229 -14.819 -11.293 1.00 0.00 N ATOM 0 H LYS A 4 0.228 -12.699 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.864 -10.240 -11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.440 -11.954 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.561 -10.925 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.776 -12.512 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.497 -13.638 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.879 -13.039 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.114 -12.221 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.831 -14.260 -12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.126 -15.105 -11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.443 -15.730 -11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.254 -14.932 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.937 -14.114 -11.582 1.00 0.00 H new ATOM 70 N LEU A 5 0.585 -10.348 -8.678 1.00 0.00 N ATOM 71 CA LEU A 5 1.132 -9.446 -7.625 1.00 0.00 C ATOM 72 C LEU A 5 1.741 -8.222 -8.301 1.00 0.00 C ATOM 73 O LEU A 5 1.372 -7.099 -8.024 1.00 0.00 O ATOM 74 CB LEU A 5 2.217 -10.170 -6.823 1.00 0.00 C ATOM 75 CG LEU A 5 1.608 -11.320 -6.014 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.381 -10.832 -5.236 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.196 -12.449 -6.958 1.00 0.00 C ATOM 0 H LEU A 5 0.694 -11.346 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 5 0.331 -9.148 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.980 -10.557 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.712 -9.468 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 5 2.353 -11.686 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.041 -11.660 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.676 -10.035 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.366 -10.454 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.763 -13.266 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.459 -12.077 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.072 -12.810 -7.497 1.00 0.00 H new ATOM 89 N ASN A 6 2.665 -8.426 -9.200 1.00 0.00 N ATOM 90 CA ASN A 6 3.276 -7.267 -9.900 1.00 0.00 C ATOM 91 C ASN A 6 2.172 -6.251 -10.194 1.00 0.00 C ATOM 92 O ASN A 6 2.357 -5.058 -10.058 1.00 0.00 O ATOM 93 CB ASN A 6 3.908 -7.736 -11.213 1.00 0.00 C ATOM 94 CG ASN A 6 5.322 -7.164 -11.333 1.00 0.00 C ATOM 95 OD1 ASN A 6 5.502 -6.047 -11.775 1.00 0.00 O ATOM 96 ND2 ASN A 6 6.341 -7.887 -10.955 1.00 0.00 N ATOM 0 H ASN A 6 3.020 -9.341 -9.477 1.00 0.00 H new ATOM 0 HA ASN A 6 4.049 -6.814 -9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.941 -8.825 -11.244 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.300 -7.411 -12.058 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.287 -7.514 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.191 -8.825 -10.584 1.00 0.00 H new ATOM 103 N ASP A 7 1.014 -6.721 -10.577 1.00 0.00 N ATOM 104 CA ASP A 7 -0.108 -5.785 -10.855 1.00 0.00 C ATOM 105 C ASP A 7 -0.483 -5.089 -9.549 1.00 0.00 C ATOM 106 O ASP A 7 -0.799 -3.916 -9.522 1.00 0.00 O ATOM 107 CB ASP A 7 -1.311 -6.565 -11.388 1.00 0.00 C ATOM 108 CG ASP A 7 -2.209 -5.629 -12.196 1.00 0.00 C ATOM 109 OD1 ASP A 7 -2.394 -4.502 -11.768 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.696 -6.053 -13.231 1.00 0.00 O ATOM 0 H ASP A 7 0.800 -7.710 -10.708 1.00 0.00 H new ATOM 0 HA ASP A 7 0.191 -5.050 -11.602 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.974 -7.392 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.872 -6.999 -10.560 1.00 0.00 H new ATOM 115 N LEU A 8 -0.427 -5.808 -8.461 1.00 0.00 N ATOM 116 CA LEU A 8 -0.753 -5.202 -7.143 1.00 0.00 C ATOM 117 C LEU A 8 0.485 -4.462 -6.635 1.00 0.00 C ATOM 118 O LEU A 8 0.443 -3.285 -6.332 1.00 0.00 O ATOM 119 CB LEU A 8 -1.122 -6.311 -6.151 1.00 0.00 C ATOM 120 CG LEU A 8 -2.639 -6.366 -5.961 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.144 -5.011 -5.469 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.311 -6.713 -7.293 1.00 0.00 C ATOM 0 H LEU A 8 -0.168 -6.794 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.592 -4.513 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.759 -7.272 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.634 -6.129 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.883 -7.131 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.225 -5.053 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.669 -4.769 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.899 -4.243 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.392 -6.752 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.066 -5.951 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.954 -7.683 -7.639 1.00 0.00 H new ATOM 134 N LEU A 9 1.589 -5.151 -6.546 1.00 0.00 N ATOM 135 CA LEU A 9 2.844 -4.510 -6.066 1.00 0.00 C ATOM 136 C LEU A 9 3.147 -3.269 -6.910 1.00 0.00 C ATOM 137 O LEU A 9 3.323 -2.183 -6.396 1.00 0.00 O ATOM 138 CB LEU A 9 4.001 -5.505 -6.202 1.00 0.00 C ATOM 139 CG LEU A 9 5.323 -4.803 -5.893 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.234 -5.753 -5.113 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.005 -4.404 -7.202 1.00 0.00 C ATOM 0 H LEU A 9 1.675 -6.138 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 9 2.725 -4.218 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.855 -6.343 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.023 -5.916 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 9 5.131 -3.911 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.177 -5.253 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.748 -6.039 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.427 -6.644 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.948 -3.903 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.198 -5.296 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.356 -3.728 -7.759 1.00 0.00 H new ATOM 153 N GLU A 10 3.217 -3.427 -8.202 1.00 0.00 N ATOM 154 CA GLU A 10 3.518 -2.264 -9.083 1.00 0.00 C ATOM 155 C GLU A 10 2.443 -1.188 -8.910 1.00 0.00 C ATOM 156 O GLU A 10 2.734 -0.059 -8.570 1.00 0.00 O ATOM 157 CB GLU A 10 3.544 -2.730 -10.540 1.00 0.00 C ATOM 158 CG GLU A 10 4.214 -1.665 -11.409 1.00 0.00 C ATOM 159 CD GLU A 10 4.645 -2.290 -12.738 1.00 0.00 C ATOM 160 OE1 GLU A 10 3.990 -3.222 -13.172 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.624 -1.824 -13.299 1.00 0.00 O ATOM 0 H GLU A 10 3.078 -4.313 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 10 4.488 -1.846 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.085 -3.673 -10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.529 -2.914 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.524 -0.840 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.079 -1.250 -10.892 1.00 0.00 H new ATOM 168 N ASP A 11 1.205 -1.527 -9.142 1.00 0.00 N ATOM 169 CA ASP A 11 0.115 -0.519 -8.993 1.00 0.00 C ATOM 170 C ASP A 11 0.167 0.082 -7.588 1.00 0.00 C ATOM 171 O ASP A 11 -0.279 1.188 -7.356 1.00 0.00 O ATOM 172 CB ASP A 11 -1.239 -1.199 -9.208 1.00 0.00 C ATOM 173 CG ASP A 11 -1.320 -1.735 -10.638 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.405 -1.473 -11.401 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.296 -2.399 -10.947 1.00 0.00 O ATOM 0 H ASP A 11 0.900 -2.457 -9.428 1.00 0.00 H new ATOM 0 HA ASP A 11 0.246 0.272 -9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.366 -2.014 -8.495 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.047 -0.490 -9.028 1.00 0.00 H new ATOM 180 N LEU A 12 0.707 -0.642 -6.650 1.00 0.00 N ATOM 181 CA LEU A 12 0.793 -0.123 -5.257 1.00 0.00 C ATOM 182 C LEU A 12 1.981 0.830 -5.143 1.00 0.00 C ATOM 183 O LEU A 12 1.820 2.023 -4.974 1.00 0.00 O ATOM 184 CB LEU A 12 0.983 -1.304 -4.300 1.00 0.00 C ATOM 185 CG LEU A 12 1.610 -0.826 -2.989 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.748 0.279 -2.373 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.689 -2.005 -2.021 1.00 0.00 C ATOM 0 H LEU A 12 1.095 -1.575 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.121 0.413 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.022 -1.778 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.620 -2.058 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 12 2.608 -0.433 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.200 0.615 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.681 1.117 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.251 -0.108 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.135 -1.676 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.686 -2.388 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.303 -2.793 -2.457 1.00 0.00 H new ATOM 199 N GLN A 13 3.176 0.315 -5.233 1.00 0.00 N ATOM 200 CA GLN A 13 4.371 1.196 -5.127 1.00 0.00 C ATOM 201 C GLN A 13 4.159 2.432 -6.003 1.00 0.00 C ATOM 202 O GLN A 13 4.873 3.409 -5.899 1.00 0.00 O ATOM 203 CB GLN A 13 5.617 0.428 -5.583 1.00 0.00 C ATOM 204 CG GLN A 13 5.826 0.607 -7.088 1.00 0.00 C ATOM 205 CD GLN A 13 7.006 -0.256 -7.535 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.103 -0.625 -8.689 1.00 0.00 O ATOM 207 NE2 GLN A 13 7.915 -0.592 -6.662 1.00 0.00 N ATOM 0 H GLN A 13 3.376 -0.675 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 13 4.512 1.509 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.493 0.786 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.507 -0.630 -5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.924 0.321 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.018 1.655 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.832 -0.281 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.709 -1.165 -6.947 1.00 0.00 H new ATOM 216 N GLU A 14 3.169 2.402 -6.853 1.00 0.00 N ATOM 217 CA GLU A 14 2.898 3.580 -7.721 1.00 0.00 C ATOM 218 C GLU A 14 2.134 4.620 -6.902 1.00 0.00 C ATOM 219 O GLU A 14 2.614 5.710 -6.661 1.00 0.00 O ATOM 220 CB GLU A 14 2.049 3.153 -8.918 1.00 0.00 C ATOM 221 CG GLU A 14 2.863 2.220 -9.817 1.00 0.00 C ATOM 222 CD GLU A 14 3.369 2.996 -11.035 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.577 3.230 -11.933 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.539 3.341 -11.050 1.00 0.00 O ATOM 0 H GLU A 14 2.537 1.612 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 14 3.837 4.000 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.146 2.648 -8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.729 4.030 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.704 1.806 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.248 1.379 -10.138 1.00 0.00 H new ATOM 231 N VAL A 15 0.955 4.283 -6.455 1.00 0.00 N ATOM 232 CA VAL A 15 0.173 5.245 -5.636 1.00 0.00 C ATOM 233 C VAL A 15 1.093 5.797 -4.546 1.00 0.00 C ATOM 234 O VAL A 15 0.948 6.917 -4.097 1.00 0.00 O ATOM 235 CB VAL A 15 -1.032 4.516 -5.018 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.174 3.137 -5.662 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.841 4.347 -3.506 1.00 0.00 C ATOM 0 H VAL A 15 0.502 3.384 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.200 6.068 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.929 5.109 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.027 2.618 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.328 3.251 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.268 2.558 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.703 3.829 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.060 3.764 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.744 5.327 -3.040 1.00 0.00 H new ATOM 247 N LEU A 16 2.047 5.010 -4.129 1.00 0.00 N ATOM 248 CA LEU A 16 2.998 5.466 -3.080 1.00 0.00 C ATOM 249 C LEU A 16 3.985 6.458 -3.697 1.00 0.00 C ATOM 250 O LEU A 16 4.469 7.357 -3.039 1.00 0.00 O ATOM 251 CB LEU A 16 3.753 4.248 -2.534 1.00 0.00 C ATOM 252 CG LEU A 16 5.021 4.692 -1.796 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.642 5.595 -0.621 1.00 0.00 C ATOM 254 CD2 LEU A 16 5.756 3.455 -1.275 1.00 0.00 C ATOM 0 H LEU A 16 2.208 4.064 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 16 2.460 5.954 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.109 3.686 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.017 3.579 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 16 5.668 5.244 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.545 5.909 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.114 6.473 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.997 5.047 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.659 3.763 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.107 2.907 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.026 2.812 -2.113 1.00 0.00 H new ATOM 266 N LYS A 17 4.289 6.299 -4.958 1.00 0.00 N ATOM 267 CA LYS A 17 5.246 7.234 -5.615 1.00 0.00 C ATOM 268 C LYS A 17 4.545 8.564 -5.899 1.00 0.00 C ATOM 269 O LYS A 17 5.018 9.617 -5.521 1.00 0.00 O ATOM 270 CB LYS A 17 5.740 6.622 -6.928 1.00 0.00 C ATOM 271 CG LYS A 17 7.189 7.047 -7.176 1.00 0.00 C ATOM 272 CD LYS A 17 8.136 6.115 -6.416 1.00 0.00 C ATOM 273 CE LYS A 17 9.555 6.264 -6.967 1.00 0.00 C ATOM 274 NZ LYS A 17 10.147 7.540 -6.478 1.00 0.00 N ATOM 0 H LYS A 17 3.917 5.564 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 17 6.097 7.407 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.671 5.535 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.108 6.948 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.410 7.015 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.337 8.077 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.121 6.354 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.803 5.082 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.170 5.421 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.536 6.254 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.112 7.641 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.565 8.339 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.178 7.532 -5.439 1.00 0.00 H new ATOM 288 N HIS A 18 3.419 8.525 -6.559 1.00 0.00 N ATOM 289 CA HIS A 18 2.693 9.791 -6.857 1.00 0.00 C ATOM 290 C HIS A 18 2.182 10.399 -5.550 1.00 0.00 C ATOM 291 O HIS A 18 1.596 11.463 -5.535 1.00 0.00 O ATOM 292 CB HIS A 18 1.510 9.499 -7.778 1.00 0.00 C ATOM 293 CG HIS A 18 1.989 9.398 -9.201 1.00 0.00 C ATOM 294 ND1 HIS A 18 2.363 10.515 -9.938 1.00 0.00 N ATOM 295 CD2 HIS A 18 2.159 8.323 -10.037 1.00 0.00 C ATOM 296 CE1 HIS A 18 2.735 10.088 -11.160 1.00 0.00 C ATOM 297 NE2 HIS A 18 2.629 8.763 -11.268 1.00 0.00 N ATOM 0 H HIS A 18 2.973 7.675 -6.903 1.00 0.00 H new ATOM 0 HA HIS A 18 3.369 10.491 -7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.026 8.569 -7.480 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.764 10.289 -7.690 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.958 7.294 -9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.076 10.737 -11.953 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.847 8.192 -12.084 1.00 0.00 H new ATOM 306 N VAL A 19 2.399 9.726 -4.452 1.00 0.00 N ATOM 307 CA VAL A 19 1.925 10.258 -3.143 1.00 0.00 C ATOM 308 C VAL A 19 3.081 10.968 -2.432 1.00 0.00 C ATOM 309 O VAL A 19 2.873 11.802 -1.573 1.00 0.00 O ATOM 310 CB VAL A 19 1.421 9.096 -2.279 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.656 9.408 -0.799 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.075 8.890 -2.521 1.00 0.00 C ATOM 0 H VAL A 19 2.884 8.830 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 19 1.114 10.968 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 19 1.964 8.190 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.296 8.578 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.722 9.551 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.118 10.317 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.433 8.064 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.615 9.799 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.245 8.660 -3.573 1.00 0.00 H new ATOM 322 N ASN A 20 4.296 10.643 -2.778 1.00 0.00 N ATOM 323 CA ASN A 20 5.458 11.298 -2.116 1.00 0.00 C ATOM 324 C ASN A 20 5.570 12.749 -2.590 1.00 0.00 C ATOM 325 O ASN A 20 5.903 13.635 -1.827 1.00 0.00 O ATOM 326 CB ASN A 20 6.742 10.545 -2.473 1.00 0.00 C ATOM 327 CG ASN A 20 6.668 9.118 -1.928 1.00 0.00 C ATOM 328 OD1 ASN A 20 6.012 8.868 -0.936 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.317 8.166 -2.540 1.00 0.00 N ATOM 0 H ASN A 20 4.534 9.953 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 20 5.314 11.280 -1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.875 10.526 -3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.606 11.061 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.274 7.210 -2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.867 8.377 -3.373 1.00 0.00 H new ATOM 336 N GLN A 21 5.298 13.001 -3.840 1.00 0.00 N ATOM 337 CA GLN A 21 5.395 14.398 -4.354 1.00 0.00 C ATOM 338 C GLN A 21 4.082 15.136 -4.094 1.00 0.00 C ATOM 339 O GLN A 21 3.975 16.327 -4.311 1.00 0.00 O ATOM 340 CB GLN A 21 5.675 14.371 -5.857 1.00 0.00 C ATOM 341 CG GLN A 21 7.125 13.948 -6.097 1.00 0.00 C ATOM 342 CD GLN A 21 7.319 13.608 -7.575 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.129 12.770 -7.916 1.00 0.00 O ATOM 344 NE2 GLN A 21 6.605 14.228 -8.473 1.00 0.00 N ATOM 0 H GLN A 21 5.013 12.303 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 21 6.207 14.914 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.996 13.677 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.496 15.356 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.802 14.751 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.370 13.084 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.925 14.932 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.727 14.009 -9.462 1.00 0.00 H new ATOM 353 N HIS A 22 3.081 14.441 -3.631 1.00 0.00 N ATOM 354 CA HIS A 22 1.777 15.108 -3.359 1.00 0.00 C ATOM 355 C HIS A 22 1.441 14.982 -1.874 1.00 0.00 C ATOM 356 O HIS A 22 0.313 15.173 -1.464 1.00 0.00 O ATOM 357 CB HIS A 22 0.679 14.443 -4.189 1.00 0.00 C ATOM 358 CG HIS A 22 0.576 15.133 -5.521 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.068 16.354 -5.674 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.034 14.791 -6.768 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.021 16.698 -6.972 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.682 15.781 -7.679 1.00 0.00 N ATOM 0 H HIS A 22 3.109 13.442 -3.429 1.00 0.00 H new ATOM 0 HA HIS A 22 1.846 16.162 -3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.904 13.386 -4.331 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.274 14.498 -3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.583 13.892 -7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.392 17.605 -7.389 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.887 15.801 -8.678 1.00 0.00 H new ATOM 371 N TRP A 23 2.411 14.664 -1.062 1.00 0.00 N ATOM 372 CA TRP A 23 2.139 14.532 0.394 1.00 0.00 C ATOM 373 C TRP A 23 2.034 15.918 1.019 1.00 0.00 C ATOM 374 O TRP A 23 2.684 16.854 0.600 1.00 0.00 O ATOM 375 CB TRP A 23 3.271 13.766 1.072 1.00 0.00 C ATOM 376 CG TRP A 23 2.809 13.313 2.421 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.663 14.107 3.505 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.427 11.976 2.840 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.213 13.335 4.564 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.056 12.014 4.202 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.370 10.748 2.172 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.643 10.868 4.880 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.955 9.589 2.846 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.593 9.649 4.200 1.00 0.00 C ATOM 0 H TRP A 23 3.376 14.491 -1.344 1.00 0.00 H new ATOM 0 HA TRP A 23 1.203 13.990 0.530 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.562 12.908 0.466 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.151 14.401 1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.864 15.168 3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.021 13.699 5.497 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.647 10.692 1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.364 10.922 5.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.914 8.647 2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.276 8.754 4.716 1.00 0.00 H new ATOM 395 N GLN A 24 1.221 16.052 2.025 1.00 0.00 N ATOM 396 CA GLN A 24 1.073 17.378 2.688 1.00 0.00 C ATOM 397 C GLN A 24 0.674 17.172 4.149 1.00 0.00 C ATOM 398 O GLN A 24 0.788 16.088 4.687 1.00 0.00 O ATOM 399 CB GLN A 24 -0.002 18.196 1.968 1.00 0.00 C ATOM 400 CG GLN A 24 0.523 19.608 1.703 1.00 0.00 C ATOM 401 CD GLN A 24 0.976 20.238 3.020 1.00 0.00 C ATOM 402 OE1 GLN A 24 2.136 20.170 3.374 1.00 0.00 O ATOM 403 NE2 GLN A 24 0.102 20.856 3.768 1.00 0.00 N ATOM 0 H GLN A 24 0.652 15.303 2.419 1.00 0.00 H new ATOM 0 HA GLN A 24 2.020 17.916 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.272 17.715 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.907 18.241 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.355 19.572 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.256 20.217 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.872 20.914 3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.394 21.281 4.648 1.00 0.00 H new ATOM 412 N GLY A 25 0.202 18.202 4.797 1.00 0.00 N ATOM 413 CA GLY A 25 -0.206 18.060 6.222 1.00 0.00 C ATOM 414 C GLY A 25 1.032 17.846 7.094 1.00 0.00 C ATOM 415 O GLY A 25 1.183 18.453 8.135 1.00 0.00 O ATOM 0 H GLY A 25 0.082 19.134 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.742 18.952 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.890 17.219 6.332 1.00 0.00 H new ATOM 419 N GLY A 26 1.921 16.984 6.678 1.00 0.00 N ATOM 420 CA GLY A 26 3.148 16.732 7.485 1.00 0.00 C ATOM 421 C GLY A 26 4.148 15.916 6.663 1.00 0.00 C ATOM 422 O GLY A 26 4.066 14.706 6.593 1.00 0.00 O ATOM 0 H GLY A 26 1.850 16.445 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.597 17.678 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.890 16.196 8.398 1.00 0.00 H new ATOM 426 N GLN A 27 5.092 16.568 6.042 1.00 0.00 N ATOM 427 CA GLN A 27 6.096 15.829 5.225 1.00 0.00 C ATOM 428 C GLN A 27 6.926 14.920 6.135 1.00 0.00 C ATOM 429 O GLN A 27 7.742 14.145 5.678 1.00 0.00 O ATOM 430 CB GLN A 27 7.019 16.830 4.525 1.00 0.00 C ATOM 431 CG GLN A 27 7.853 16.105 3.467 1.00 0.00 C ATOM 432 CD GLN A 27 6.925 15.507 2.407 1.00 0.00 C ATOM 433 OE1 GLN A 27 6.845 14.304 2.261 1.00 0.00 O ATOM 434 NE2 GLN A 27 6.217 16.303 1.654 1.00 0.00 N ATOM 0 H GLN A 27 5.212 17.581 6.065 1.00 0.00 H new ATOM 0 HA GLN A 27 5.582 15.223 4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.429 17.620 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.673 17.308 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.554 16.799 3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.446 15.318 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.284 17.313 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.597 15.915 0.943 1.00 0.00 H new ATOM 443 N LYS A 28 6.721 15.004 7.421 1.00 0.00 N ATOM 444 CA LYS A 28 7.496 14.140 8.355 1.00 0.00 C ATOM 445 C LYS A 28 6.880 12.743 8.365 1.00 0.00 C ATOM 446 O LYS A 28 7.454 11.802 8.875 1.00 0.00 O ATOM 447 CB LYS A 28 7.447 14.734 9.765 1.00 0.00 C ATOM 448 CG LYS A 28 6.050 14.536 10.356 1.00 0.00 C ATOM 449 CD LYS A 28 5.904 15.393 11.615 1.00 0.00 C ATOM 450 CE LYS A 28 7.042 15.073 12.587 1.00 0.00 C ATOM 451 NZ LYS A 28 6.601 15.359 13.981 1.00 0.00 N ATOM 0 H LYS A 28 6.051 15.633 7.865 1.00 0.00 H new ATOM 0 HA LYS A 28 8.534 14.082 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.193 14.254 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.692 15.796 9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.291 14.813 9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.891 13.485 10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.923 16.451 11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.942 15.200 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.331 14.026 12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.921 15.669 12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.374 15.141 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.346 16.364 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.774 14.772 14.211 1.00 0.00 H new ATOM 465 N ASN A 29 5.712 12.602 7.801 1.00 0.00 N ATOM 466 CA ASN A 29 5.055 11.268 7.773 1.00 0.00 C ATOM 467 C ASN A 29 5.552 10.485 6.556 1.00 0.00 C ATOM 468 O ASN A 29 5.608 9.271 6.567 1.00 0.00 O ATOM 469 CB ASN A 29 3.539 11.448 7.678 1.00 0.00 C ATOM 470 CG ASN A 29 3.063 12.369 8.804 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.791 12.627 9.742 1.00 0.00 O ATOM 472 ND2 ASN A 29 1.863 12.879 8.751 1.00 0.00 N ATOM 0 H ASN A 29 5.185 13.355 7.358 1.00 0.00 H new ATOM 0 HA ASN A 29 5.299 10.722 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.272 11.872 6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.042 10.481 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.537 13.494 9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.251 12.663 7.964 1.00 0.00 H new ATOM 479 N MET A 30 5.913 11.171 5.507 1.00 0.00 N ATOM 480 CA MET A 30 6.407 10.470 4.289 1.00 0.00 C ATOM 481 C MET A 30 7.531 9.506 4.675 1.00 0.00 C ATOM 482 O MET A 30 7.581 8.381 4.217 1.00 0.00 O ATOM 483 CB MET A 30 6.938 11.499 3.288 1.00 0.00 C ATOM 484 CG MET A 30 6.838 10.933 1.871 1.00 0.00 C ATOM 485 SD MET A 30 8.084 9.639 1.649 1.00 0.00 S ATOM 486 CE MET A 30 9.323 10.657 0.809 1.00 0.00 C ATOM 0 H MET A 30 5.887 12.189 5.441 1.00 0.00 H new ATOM 0 HA MET A 30 5.589 9.910 3.835 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.365 12.423 3.363 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.974 11.746 3.520 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.841 10.526 1.700 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.988 11.727 1.139 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.196 10.048 0.574 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.901 11.057 -0.113 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.620 11.480 1.460 1.00 0.00 H new ATOM 496 N ASN A 31 8.433 9.935 5.515 1.00 0.00 N ATOM 497 CA ASN A 31 9.551 9.041 5.931 1.00 0.00 C ATOM 498 C ASN A 31 9.010 7.945 6.851 1.00 0.00 C ATOM 499 O ASN A 31 9.416 6.803 6.778 1.00 0.00 O ATOM 500 CB ASN A 31 10.607 9.858 6.679 1.00 0.00 C ATOM 501 CG ASN A 31 10.711 11.253 6.058 1.00 0.00 C ATOM 502 OD1 ASN A 31 11.261 12.157 6.657 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.203 11.468 4.876 1.00 0.00 N ATOM 0 H ASN A 31 8.444 10.866 5.931 1.00 0.00 H new ATOM 0 HA ASN A 31 10.001 8.587 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.341 9.937 7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.573 9.354 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.267 12.394 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.742 10.710 4.374 1.00 0.00 H new ATOM 510 N LYS A 32 8.098 8.285 7.719 1.00 0.00 N ATOM 511 CA LYS A 32 7.535 7.262 8.644 1.00 0.00 C ATOM 512 C LYS A 32 6.669 6.278 7.856 1.00 0.00 C ATOM 513 O LYS A 32 6.870 5.081 7.908 1.00 0.00 O ATOM 514 CB LYS A 32 6.686 7.955 9.712 1.00 0.00 C ATOM 515 CG LYS A 32 7.576 8.335 10.898 1.00 0.00 C ATOM 516 CD LYS A 32 6.708 8.844 12.048 1.00 0.00 C ATOM 517 CE LYS A 32 7.186 8.221 13.362 1.00 0.00 C ATOM 518 NZ LYS A 32 8.672 8.094 13.341 1.00 0.00 N ATOM 0 H LYS A 32 7.719 9.226 7.828 1.00 0.00 H new ATOM 0 HA LYS A 32 8.349 6.719 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.214 8.846 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.884 7.294 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.156 7.471 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.289 9.104 10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.764 9.931 12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.663 8.588 11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.875 8.839 14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.729 7.241 13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.036 8.119 14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.937 7.192 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.080 8.882 12.798 1.00 0.00 H new ATOM 532 N VAL A 33 5.707 6.770 7.124 1.00 0.00 N ATOM 533 CA VAL A 33 4.834 5.856 6.335 1.00 0.00 C ATOM 534 C VAL A 33 5.672 5.141 5.271 1.00 0.00 C ATOM 535 O VAL A 33 5.428 3.996 4.945 1.00 0.00 O ATOM 536 CB VAL A 33 3.731 6.667 5.651 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.205 7.734 6.616 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.299 7.344 4.402 1.00 0.00 C ATOM 0 H VAL A 33 5.488 7.763 7.038 1.00 0.00 H new ATOM 0 HA VAL A 33 4.385 5.120 7.001 1.00 0.00 H new ATOM 0 HB VAL A 33 2.915 6.003 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.420 8.311 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.801 7.252 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.020 8.400 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.515 7.922 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.115 8.008 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.672 6.585 3.715 1.00 0.00 H new ATOM 548 N ASP A 34 6.658 5.804 4.728 1.00 0.00 N ATOM 549 CA ASP A 34 7.505 5.156 3.688 1.00 0.00 C ATOM 550 C ASP A 34 8.057 3.838 4.234 1.00 0.00 C ATOM 551 O ASP A 34 8.119 2.844 3.538 1.00 0.00 O ATOM 552 CB ASP A 34 8.666 6.083 3.323 1.00 0.00 C ATOM 553 CG ASP A 34 9.831 5.254 2.777 1.00 0.00 C ATOM 554 OD1 ASP A 34 10.371 4.458 3.528 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.161 5.427 1.615 1.00 0.00 O ATOM 0 H ASP A 34 6.912 6.764 4.960 1.00 0.00 H new ATOM 0 HA ASP A 34 6.905 4.961 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.344 6.811 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.986 6.645 4.200 1.00 0.00 H new ATOM 560 N HIS A 35 8.452 3.823 5.476 1.00 0.00 N ATOM 561 CA HIS A 35 8.994 2.570 6.071 1.00 0.00 C ATOM 562 C HIS A 35 7.851 1.575 6.275 1.00 0.00 C ATOM 563 O HIS A 35 8.054 0.378 6.314 1.00 0.00 O ATOM 564 CB HIS A 35 9.643 2.886 7.420 1.00 0.00 C ATOM 565 CG HIS A 35 9.931 1.604 8.153 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.071 0.852 7.910 1.00 0.00 N ATOM 567 CD2 HIS A 35 9.237 0.929 9.129 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.031 -0.220 8.722 1.00 0.00 C ATOM 569 NE2 HIS A 35 9.936 -0.219 9.483 1.00 0.00 N ATOM 0 H HIS A 35 8.423 4.625 6.105 1.00 0.00 H new ATOM 0 HA HIS A 35 9.740 2.139 5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.566 3.446 7.269 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.982 3.516 8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.295 1.242 9.555 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.791 -0.986 8.754 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.668 -0.915 10.179 1.00 0.00 H new ATOM 578 N HIS A 36 6.647 2.065 6.405 1.00 0.00 N ATOM 579 CA HIS A 36 5.488 1.154 6.606 1.00 0.00 C ATOM 580 C HIS A 36 5.171 0.437 5.292 1.00 0.00 C ATOM 581 O HIS A 36 5.063 -0.773 5.245 1.00 0.00 O ATOM 582 CB HIS A 36 4.273 1.970 7.052 1.00 0.00 C ATOM 583 CG HIS A 36 4.340 2.189 8.539 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.879 1.245 9.401 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.944 3.239 9.331 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.794 1.740 10.650 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.232 2.950 10.660 1.00 0.00 N ATOM 0 H HIS A 36 6.418 3.059 6.380 1.00 0.00 H new ATOM 0 HA HIS A 36 5.730 0.416 7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.253 2.928 6.532 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.353 1.447 6.791 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.481 4.148 8.976 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.138 1.222 11.533 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.051 3.540 11.473 1.00 0.00 H new ATOM 596 N LEU A 37 5.026 1.170 4.222 1.00 0.00 N ATOM 597 CA LEU A 37 4.722 0.523 2.915 1.00 0.00 C ATOM 598 C LEU A 37 5.940 -0.278 2.457 1.00 0.00 C ATOM 599 O LEU A 37 5.837 -1.437 2.103 1.00 0.00 O ATOM 600 CB LEU A 37 4.400 1.599 1.875 1.00 0.00 C ATOM 601 CG LEU A 37 2.886 1.680 1.671 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.498 3.109 1.296 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.469 0.730 0.546 1.00 0.00 C ATOM 0 H LEU A 37 5.105 2.187 4.197 1.00 0.00 H new ATOM 0 HA LEU A 37 3.865 -0.141 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.785 2.564 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.892 1.365 0.931 1.00 0.00 H new ATOM 0 HG LEU A 37 2.381 1.395 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.419 3.167 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.793 3.788 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.004 3.393 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.390 0.788 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.975 1.015 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.745 -0.291 0.811 1.00 0.00 H new ATOM 615 N GLN A 38 7.096 0.326 2.467 1.00 0.00 N ATOM 616 CA GLN A 38 8.319 -0.405 2.037 1.00 0.00 C ATOM 617 C GLN A 38 8.285 -1.820 2.617 1.00 0.00 C ATOM 618 O GLN A 38 8.795 -2.755 2.032 1.00 0.00 O ATOM 619 CB GLN A 38 9.558 0.333 2.547 1.00 0.00 C ATOM 620 CG GLN A 38 10.108 1.231 1.436 1.00 0.00 C ATOM 621 CD GLN A 38 11.452 1.818 1.872 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.769 2.945 1.547 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.262 1.095 2.594 1.00 0.00 N ATOM 0 H GLN A 38 7.246 1.293 2.754 1.00 0.00 H new ATOM 0 HA GLN A 38 8.356 -0.458 0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.304 0.932 3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.318 -0.383 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.231 0.657 0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.402 2.033 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.995 0.149 2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.162 1.476 2.886 1.00 0.00 H new ATOM 632 N ASN A 39 7.682 -1.986 3.762 1.00 0.00 N ATOM 633 CA ASN A 39 7.607 -3.340 4.375 1.00 0.00 C ATOM 634 C ASN A 39 6.498 -4.143 3.693 1.00 0.00 C ATOM 635 O ASN A 39 6.565 -5.350 3.591 1.00 0.00 O ATOM 636 CB ASN A 39 7.298 -3.211 5.868 1.00 0.00 C ATOM 637 CG ASN A 39 7.139 -4.606 6.477 1.00 0.00 C ATOM 638 OD1 ASN A 39 6.543 -4.760 7.525 1.00 0.00 O ATOM 639 ND2 ASN A 39 7.649 -5.635 5.860 1.00 0.00 N ATOM 0 H ASN A 39 7.238 -1.241 4.299 1.00 0.00 H new ATOM 0 HA ASN A 39 8.561 -3.851 4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.100 -2.672 6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.386 -2.633 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.548 -6.569 6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.149 -5.506 4.980 1.00 0.00 H new ATOM 646 N VAL A 40 5.478 -3.478 3.220 1.00 0.00 N ATOM 647 CA VAL A 40 4.369 -4.203 2.541 1.00 0.00 C ATOM 648 C VAL A 40 4.777 -4.508 1.097 1.00 0.00 C ATOM 649 O VAL A 40 4.934 -5.651 0.720 1.00 0.00 O ATOM 650 CB VAL A 40 3.103 -3.340 2.555 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.905 -4.172 2.091 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.843 -2.846 3.980 1.00 0.00 C ATOM 0 H VAL A 40 5.366 -2.466 3.275 1.00 0.00 H new ATOM 0 HA VAL A 40 4.166 -5.137 3.065 1.00 0.00 H new ATOM 0 HB VAL A 40 3.240 -2.491 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.007 -3.555 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.084 -4.534 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.770 -5.021 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.943 -2.232 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.709 -3.701 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.692 -2.253 4.320 1.00 0.00 H new ATOM 662 N ILE A 41 4.963 -3.498 0.287 1.00 0.00 N ATOM 663 CA ILE A 41 5.371 -3.752 -1.125 1.00 0.00 C ATOM 664 C ILE A 41 6.358 -4.919 -1.157 1.00 0.00 C ATOM 665 O ILE A 41 6.405 -5.681 -2.102 1.00 0.00 O ATOM 666 CB ILE A 41 6.042 -2.504 -1.708 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.260 -1.254 -1.285 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.061 -2.610 -3.234 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.358 -0.185 -2.378 1.00 0.00 C ATOM 0 H ILE A 41 4.851 -2.516 0.540 1.00 0.00 H new ATOM 0 HA ILE A 41 4.489 -3.993 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 41 7.064 -2.429 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.216 -1.510 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.657 -0.866 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.537 -1.724 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.620 -3.498 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.039 -2.684 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.801 0.700 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.404 0.080 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.940 -0.574 -3.306 1.00 0.00 H new ATOM 681 N GLU A 42 7.144 -5.069 -0.126 1.00 0.00 N ATOM 682 CA GLU A 42 8.122 -6.192 -0.094 1.00 0.00 C ATOM 683 C GLU A 42 7.382 -7.491 0.218 1.00 0.00 C ATOM 684 O GLU A 42 7.695 -8.541 -0.308 1.00 0.00 O ATOM 685 CB GLU A 42 9.166 -5.927 0.993 1.00 0.00 C ATOM 686 CG GLU A 42 10.553 -6.315 0.478 1.00 0.00 C ATOM 687 CD GLU A 42 11.611 -5.904 1.504 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.685 -6.545 2.539 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.327 -4.953 1.239 1.00 0.00 O ATOM 0 H GLU A 42 7.151 -4.463 0.694 1.00 0.00 H new ATOM 0 HA GLU A 42 8.619 -6.275 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.153 -4.874 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.926 -6.500 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.600 -7.390 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.748 -5.827 -0.477 1.00 0.00 H new ATOM 696 N ASP A 43 6.396 -7.427 1.069 1.00 0.00 N ATOM 697 CA ASP A 43 5.630 -8.655 1.414 1.00 0.00 C ATOM 698 C ASP A 43 4.799 -9.084 0.203 1.00 0.00 C ATOM 699 O ASP A 43 4.400 -10.226 0.083 1.00 0.00 O ATOM 700 CB ASP A 43 4.707 -8.359 2.597 1.00 0.00 C ATOM 701 CG ASP A 43 3.969 -9.636 3.003 1.00 0.00 C ATOM 702 OD1 ASP A 43 4.306 -10.685 2.479 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.080 -9.545 3.833 1.00 0.00 O ATOM 0 H ASP A 43 6.088 -6.576 1.540 1.00 0.00 H new ATOM 0 HA ASP A 43 6.316 -9.457 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.287 -7.979 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.991 -7.583 2.327 1.00 0.00 H new ATOM 708 N ILE A 44 4.548 -8.178 -0.703 1.00 0.00 N ATOM 709 CA ILE A 44 3.754 -8.532 -1.913 1.00 0.00 C ATOM 710 C ILE A 44 4.665 -9.245 -2.910 1.00 0.00 C ATOM 711 O ILE A 44 4.372 -10.333 -3.367 1.00 0.00 O ATOM 712 CB ILE A 44 3.194 -7.257 -2.546 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.582 -6.381 -1.452 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.118 -7.619 -3.570 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.011 -5.109 -2.075 1.00 0.00 C ATOM 0 H ILE A 44 4.859 -7.208 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 44 2.927 -9.187 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 44 3.997 -6.716 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.796 -6.928 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.339 -6.127 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.722 -6.708 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.552 -8.247 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.312 -8.160 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.575 -4.486 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.808 -4.559 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.241 -5.373 -2.800 1.00 0.00 H new ATOM 727 N HIS A 45 5.776 -8.648 -3.241 1.00 0.00 N ATOM 728 CA HIS A 45 6.712 -9.301 -4.197 1.00 0.00 C ATOM 729 C HIS A 45 7.034 -10.705 -3.686 1.00 0.00 C ATOM 730 O HIS A 45 7.305 -11.610 -4.449 1.00 0.00 O ATOM 731 CB HIS A 45 8.001 -8.483 -4.291 1.00 0.00 C ATOM 732 CG HIS A 45 8.556 -8.574 -5.686 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.961 -9.777 -6.245 1.00 0.00 N ATOM 734 CD2 HIS A 45 8.781 -7.618 -6.647 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.404 -9.517 -7.490 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.316 -8.218 -7.780 1.00 0.00 N ATOM 0 H HIS A 45 6.076 -7.738 -2.891 1.00 0.00 H new ATOM 0 HA HIS A 45 6.254 -9.360 -5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.803 -7.442 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.732 -8.854 -3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 45 8.929 -10.692 -5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 45 8.574 -6.564 -6.538 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.783 -10.267 -8.169 1.00 0.00 H new ATOM 745 N ASP A 46 7.003 -10.890 -2.395 1.00 0.00 N ATOM 746 CA ASP A 46 7.301 -12.234 -1.827 1.00 0.00 C ATOM 747 C ASP A 46 6.023 -13.076 -1.812 1.00 0.00 C ATOM 748 O ASP A 46 6.026 -14.211 -1.378 1.00 0.00 O ATOM 749 CB ASP A 46 7.827 -12.079 -0.398 1.00 0.00 C ATOM 750 CG ASP A 46 8.622 -13.326 -0.008 1.00 0.00 C ATOM 751 OD1 ASP A 46 8.052 -14.405 -0.045 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.788 -13.184 0.322 1.00 0.00 O ATOM 0 H ASP A 46 6.784 -10.168 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 46 8.055 -12.729 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.460 -11.194 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.996 -11.934 0.293 1.00 0.00 H new ATOM 757 N PHE A 47 4.928 -12.534 -2.279 1.00 0.00 N ATOM 758 CA PHE A 47 3.659 -13.317 -2.282 1.00 0.00 C ATOM 759 C PHE A 47 3.607 -14.192 -3.534 1.00 0.00 C ATOM 760 O PHE A 47 3.098 -15.295 -3.510 1.00 0.00 O ATOM 761 CB PHE A 47 2.465 -12.359 -2.269 1.00 0.00 C ATOM 762 CG PHE A 47 1.182 -13.154 -2.208 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.623 -13.675 -3.382 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.552 -13.372 -0.977 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.564 -14.413 -3.323 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.636 -14.111 -0.919 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.194 -14.631 -2.092 1.00 0.00 C ATOM 0 H PHE A 47 4.859 -11.589 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 47 3.618 -13.951 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.532 -11.690 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.476 -11.735 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.108 -13.507 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.982 -12.970 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.995 -14.815 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.121 -14.280 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.111 -15.200 -2.048 1.00 0.00 H new ATOM 777 N MET A 48 4.134 -13.715 -4.628 1.00 0.00 N ATOM 778 CA MET A 48 4.116 -14.532 -5.875 1.00 0.00 C ATOM 779 C MET A 48 5.077 -15.711 -5.718 1.00 0.00 C ATOM 780 O MET A 48 4.732 -16.846 -5.978 1.00 0.00 O ATOM 781 CB MET A 48 4.556 -13.677 -7.066 1.00 0.00 C ATOM 782 CG MET A 48 5.381 -12.489 -6.571 1.00 0.00 C ATOM 783 SD MET A 48 6.490 -11.932 -7.890 1.00 0.00 S ATOM 784 CE MET A 48 5.243 -11.117 -8.917 1.00 0.00 C ATOM 0 H MET A 48 4.575 -12.799 -4.713 1.00 0.00 H new ATOM 0 HA MET A 48 3.104 -14.898 -6.051 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.145 -14.278 -7.759 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.683 -13.323 -7.614 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.722 -11.676 -6.268 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.959 -12.775 -5.692 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.641 -10.964 -9.920 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.352 -11.742 -8.972 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.984 -10.153 -8.478 1.00 0.00 H new ATOM 794 N GLN A 49 6.284 -15.450 -5.293 1.00 0.00 N ATOM 795 CA GLN A 49 7.269 -16.554 -5.118 1.00 0.00 C ATOM 796 C GLN A 49 7.087 -17.186 -3.740 1.00 0.00 C ATOM 797 O GLN A 49 7.375 -18.348 -3.537 1.00 0.00 O ATOM 798 CB GLN A 49 8.688 -15.998 -5.236 1.00 0.00 C ATOM 799 CG GLN A 49 8.865 -14.834 -4.258 1.00 0.00 C ATOM 800 CD GLN A 49 8.970 -13.523 -5.037 1.00 0.00 C ATOM 801 OE1 GLN A 49 9.809 -12.694 -4.744 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.148 -13.300 -6.024 1.00 0.00 N ATOM 0 H GLN A 49 6.630 -14.519 -5.060 1.00 0.00 H new ATOM 0 HA GLN A 49 7.108 -17.307 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.415 -16.781 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.874 -15.661 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.021 -14.793 -3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.761 -14.984 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.444 -13.997 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.209 -12.429 -6.551 1.00 0.00 H new ATOM 811 N GLY A 50 6.607 -16.432 -2.789 1.00 0.00 N ATOM 812 CA GLY A 50 6.405 -16.998 -1.426 1.00 0.00 C ATOM 813 C GLY A 50 5.721 -18.360 -1.541 1.00 0.00 C ATOM 814 O GLY A 50 5.581 -19.080 -0.572 1.00 0.00 O ATOM 0 H GLY A 50 6.347 -15.452 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.363 -17.101 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.796 -16.322 -0.826 1.00 0.00 H new ATOM 818 N GLY A 51 5.296 -18.721 -2.722 1.00 0.00 N ATOM 819 CA GLY A 51 4.624 -20.038 -2.903 1.00 0.00 C ATOM 820 C GLY A 51 3.114 -19.872 -2.724 1.00 0.00 C ATOM 821 O GLY A 51 2.329 -20.331 -3.531 1.00 0.00 O ATOM 0 H GLY A 51 5.386 -18.160 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.841 -20.435 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.009 -20.757 -2.180 1.00 0.00 H new ATOM 825 N GLY A 52 2.699 -19.222 -1.672 1.00 0.00 N ATOM 826 CA GLY A 52 1.240 -19.030 -1.443 1.00 0.00 C ATOM 827 C GLY A 52 0.963 -18.995 0.060 1.00 0.00 C ATOM 828 O GLY A 52 0.028 -19.602 0.544 1.00 0.00 O ATOM 0 H GLY A 52 3.307 -18.816 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.907 -18.102 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.678 -19.839 -1.909 1.00 0.00 H new ATOM 832 N SER A 53 1.772 -18.291 0.803 1.00 0.00 N ATOM 833 CA SER A 53 1.558 -18.219 2.275 1.00 0.00 C ATOM 834 C SER A 53 0.464 -17.196 2.584 1.00 0.00 C ATOM 835 O SER A 53 0.717 -16.160 3.166 1.00 0.00 O ATOM 836 CB SER A 53 2.858 -17.794 2.958 1.00 0.00 C ATOM 837 OG SER A 53 3.962 -18.204 2.162 1.00 0.00 O ATOM 0 H SER A 53 2.572 -17.763 0.454 1.00 0.00 H new ATOM 0 HA SER A 53 1.254 -19.198 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.874 -16.713 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.924 -18.241 3.950 1.00 0.00 H new ATOM 0 HG SER A 53 4.797 -17.932 2.596 1.00 0.00 H new ATOM 843 N GLY A 54 -0.751 -17.478 2.203 1.00 0.00 N ATOM 844 CA GLY A 54 -1.858 -16.519 2.480 1.00 0.00 C ATOM 845 C GLY A 54 -1.770 -16.052 3.933 1.00 0.00 C ATOM 846 O GLY A 54 -2.460 -15.143 4.348 1.00 0.00 O ATOM 0 H GLY A 54 -1.025 -18.329 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.791 -15.664 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.821 -16.995 2.297 1.00 0.00 H new ATOM 850 N GLY A 55 -0.921 -16.667 4.710 1.00 0.00 N ATOM 851 CA GLY A 55 -0.784 -16.260 6.136 1.00 0.00 C ATOM 852 C GLY A 55 0.243 -15.132 6.247 1.00 0.00 C ATOM 853 O GLY A 55 0.173 -14.301 7.130 1.00 0.00 O ATOM 0 H GLY A 55 -0.316 -17.434 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.747 -15.929 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.472 -17.112 6.740 1.00 0.00 H new ATOM 857 N LYS A 56 1.193 -15.094 5.355 1.00 0.00 N ATOM 858 CA LYS A 56 2.221 -14.016 5.409 1.00 0.00 C ATOM 859 C LYS A 56 1.589 -12.695 4.969 1.00 0.00 C ATOM 860 O LYS A 56 1.961 -11.634 5.429 1.00 0.00 O ATOM 861 CB LYS A 56 3.384 -14.367 4.477 1.00 0.00 C ATOM 862 CG LYS A 56 4.579 -13.459 4.784 1.00 0.00 C ATOM 863 CD LYS A 56 5.795 -14.314 5.148 1.00 0.00 C ATOM 864 CE LYS A 56 5.611 -14.893 6.553 1.00 0.00 C ATOM 865 NZ LYS A 56 5.763 -13.806 7.562 1.00 0.00 N ATOM 0 H LYS A 56 1.303 -15.762 4.592 1.00 0.00 H new ATOM 0 HA LYS A 56 2.596 -13.919 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.665 -15.412 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.080 -14.246 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.806 -12.836 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.336 -12.787 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.916 -15.120 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.702 -13.711 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.626 -15.352 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.346 -15.677 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.010 -14.220 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.517 -13.156 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.868 -13.283 7.646 1.00 0.00 H new ATOM 879 N LEU A 57 0.631 -12.752 4.083 1.00 0.00 N ATOM 880 CA LEU A 57 -0.028 -11.499 3.620 1.00 0.00 C ATOM 881 C LEU A 57 -0.730 -10.832 4.803 1.00 0.00 C ATOM 882 O LEU A 57 -0.425 -9.716 5.172 1.00 0.00 O ATOM 883 CB LEU A 57 -1.058 -11.834 2.541 1.00 0.00 C ATOM 884 CG LEU A 57 -1.452 -10.556 1.797 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.452 -10.897 0.692 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.096 -9.570 2.776 1.00 0.00 C ATOM 0 H LEU A 57 0.278 -13.611 3.661 1.00 0.00 H new ATOM 0 HA LEU A 57 0.721 -10.822 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.645 -12.562 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.939 -12.290 2.993 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.562 -10.105 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.733 -9.987 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.997 -11.598 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.341 -11.349 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.376 -8.660 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.985 -10.022 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.386 -9.325 3.566 1.00 0.00 H new ATOM 898 N GLN A 58 -1.669 -11.507 5.405 1.00 0.00 N ATOM 899 CA GLN A 58 -2.382 -10.907 6.564 1.00 0.00 C ATOM 900 C GLN A 58 -1.354 -10.280 7.510 1.00 0.00 C ATOM 901 O GLN A 58 -1.697 -9.575 8.437 1.00 0.00 O ATOM 902 CB GLN A 58 -3.173 -11.993 7.297 1.00 0.00 C ATOM 903 CG GLN A 58 -4.114 -12.695 6.312 1.00 0.00 C ATOM 904 CD GLN A 58 -4.766 -11.658 5.392 1.00 0.00 C ATOM 905 OE1 GLN A 58 -5.536 -10.831 5.839 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.487 -11.666 4.116 1.00 0.00 N ATOM 0 H GLN A 58 -1.972 -12.445 5.145 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.074 -10.139 6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.490 -12.717 7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.746 -11.552 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.559 -13.423 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.881 -13.246 6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.841 -12.360 3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.915 -10.979 3.496 1.00 0.00 H new ATOM 915 N GLU A 59 -0.093 -10.524 7.272 1.00 0.00 N ATOM 916 CA GLU A 59 0.959 -9.933 8.147 1.00 0.00 C ATOM 917 C GLU A 59 1.193 -8.481 7.729 1.00 0.00 C ATOM 918 O GLU A 59 1.014 -7.567 8.509 1.00 0.00 O ATOM 919 CB GLU A 59 2.258 -10.727 8.001 1.00 0.00 C ATOM 920 CG GLU A 59 2.980 -10.772 9.348 1.00 0.00 C ATOM 921 CD GLU A 59 4.484 -10.924 9.118 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.992 -10.284 8.213 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.102 -11.679 9.851 1.00 0.00 O ATOM 0 H GLU A 59 0.253 -11.107 6.510 1.00 0.00 H new ATOM 0 HA GLU A 59 0.636 -9.970 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.042 -11.739 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.897 -10.265 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.778 -9.861 9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.607 -11.605 9.945 1.00 0.00 H new ATOM 930 N MET A 60 1.572 -8.254 6.500 1.00 0.00 N ATOM 931 CA MET A 60 1.791 -6.853 6.046 1.00 0.00 C ATOM 932 C MET A 60 0.447 -6.126 6.085 1.00 0.00 C ATOM 933 O MET A 60 0.382 -4.916 6.178 1.00 0.00 O ATOM 934 CB MET A 60 2.344 -6.847 4.618 1.00 0.00 C ATOM 935 CG MET A 60 1.378 -7.588 3.694 1.00 0.00 C ATOM 936 SD MET A 60 -0.090 -6.571 3.413 1.00 0.00 S ATOM 937 CE MET A 60 -0.338 -7.030 1.682 1.00 0.00 C ATOM 0 H MET A 60 1.738 -8.973 5.796 1.00 0.00 H new ATOM 0 HA MET A 60 2.510 -6.355 6.696 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.479 -5.822 4.273 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.324 -7.323 4.594 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.865 -7.811 2.745 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.093 -8.542 4.138 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.390 -6.914 1.422 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.266 -6.385 1.044 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.040 -8.068 1.534 1.00 0.00 H new ATOM 947 N MET A 61 -0.628 -6.867 6.026 1.00 0.00 N ATOM 948 CA MET A 61 -1.976 -6.239 6.073 1.00 0.00 C ATOM 949 C MET A 61 -2.000 -5.212 7.204 1.00 0.00 C ATOM 950 O MET A 61 -2.279 -4.048 6.995 1.00 0.00 O ATOM 951 CB MET A 61 -3.027 -7.325 6.330 1.00 0.00 C ATOM 952 CG MET A 61 -4.207 -6.742 7.112 1.00 0.00 C ATOM 953 SD MET A 61 -5.705 -7.683 6.727 1.00 0.00 S ATOM 954 CE MET A 61 -6.888 -6.549 7.493 1.00 0.00 C ATOM 0 H MET A 61 -0.628 -7.884 5.947 1.00 0.00 H new ATOM 0 HA MET A 61 -2.197 -5.744 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.376 -7.735 5.382 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.581 -8.148 6.889 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.004 -6.782 8.182 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.347 -5.692 6.853 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.542 -7.105 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.349 -5.788 8.058 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.487 -6.070 6.718 1.00 0.00 H new ATOM 964 N LYS A 62 -1.697 -5.631 8.402 1.00 0.00 N ATOM 965 CA LYS A 62 -1.692 -4.671 9.538 1.00 0.00 C ATOM 966 C LYS A 62 -0.894 -3.436 9.129 1.00 0.00 C ATOM 967 O LYS A 62 -1.316 -2.315 9.334 1.00 0.00 O ATOM 968 CB LYS A 62 -1.041 -5.324 10.760 1.00 0.00 C ATOM 969 CG LYS A 62 -2.105 -6.072 11.568 1.00 0.00 C ATOM 970 CD LYS A 62 -1.506 -6.537 12.899 1.00 0.00 C ATOM 971 CE LYS A 62 -1.671 -8.053 13.034 1.00 0.00 C ATOM 972 NZ LYS A 62 -0.768 -8.738 12.066 1.00 0.00 N ATOM 0 H LYS A 62 -1.454 -6.592 8.641 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.714 -4.387 9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.258 -6.014 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.565 -4.565 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.961 -5.423 11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.470 -6.929 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.450 -6.270 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.001 -6.032 13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.436 -8.366 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.707 -8.335 12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.698 -9.746 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.152 -8.641 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.177 -8.305 12.107 1.00 0.00 H new ATOM 986 N GLU A 63 0.252 -3.632 8.535 1.00 0.00 N ATOM 987 CA GLU A 63 1.066 -2.467 8.098 1.00 0.00 C ATOM 988 C GLU A 63 0.361 -1.788 6.923 1.00 0.00 C ATOM 989 O GLU A 63 0.448 -0.589 6.744 1.00 0.00 O ATOM 990 CB GLU A 63 2.457 -2.942 7.668 1.00 0.00 C ATOM 991 CG GLU A 63 3.423 -1.756 7.666 1.00 0.00 C ATOM 992 CD GLU A 63 4.054 -1.610 9.052 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.465 -0.938 9.883 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.117 -2.172 9.260 1.00 0.00 O ATOM 0 H GLU A 63 0.657 -4.547 8.335 1.00 0.00 H new ATOM 0 HA GLU A 63 1.175 -1.760 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.815 -3.715 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.410 -3.388 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.199 -1.907 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.893 -0.842 7.398 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.355 -2.542 6.128 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.078 -1.931 4.979 1.00 0.00 C ATOM 1003 C PHE A 64 -2.209 -1.057 5.531 1.00 0.00 C ATOM 1004 O PHE A 64 -2.245 0.140 5.323 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.672 -3.030 4.090 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.449 -2.692 2.630 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.514 -1.361 2.192 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.171 -3.713 1.711 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.300 -1.056 0.843 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.959 -3.406 0.361 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.023 -2.077 -0.071 1.00 0.00 C ATOM 0 H PHE A 64 -0.468 -3.551 6.227 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.389 -1.331 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.209 -3.989 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.739 -3.133 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.729 -0.571 2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.120 -4.739 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.349 -0.031 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.746 -4.194 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.858 -1.839 -1.112 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.131 -1.653 6.243 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.261 -0.873 6.825 1.00 0.00 C ATOM 1023 C GLN A 65 -3.713 0.188 7.781 1.00 0.00 C ATOM 1024 O GLN A 65 -4.446 1.014 8.291 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.174 -1.823 7.603 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.582 -1.227 7.712 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.570 -2.106 6.943 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.555 -1.621 6.422 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -7.346 -3.388 6.849 1.00 0.00 N ATOM 0 H GLN A 65 -3.148 -2.652 6.447 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.820 -0.388 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.218 -2.790 7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.766 -1.998 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.879 -1.158 8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.591 -0.214 7.310 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.519 -3.795 7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.998 -3.983 6.338 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.433 0.178 8.028 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.849 1.192 8.947 1.00 0.00 C ATOM 1040 C GLN A 66 -1.567 2.458 8.151 1.00 0.00 C ATOM 1041 O GLN A 66 -1.638 3.559 8.657 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.543 0.660 9.539 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.850 -0.192 10.771 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.640 0.644 12.035 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.227 1.697 12.187 1.00 0.00 O ATOM 1046 NE2 GLN A 66 0.178 0.217 12.959 1.00 0.00 N ATOM 0 H GLN A 66 -1.768 -0.487 7.634 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.545 1.405 9.758 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.010 0.066 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.110 1.490 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.877 -0.555 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.203 -1.069 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.672 -0.667 12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.323 0.767 13.806 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.257 2.300 6.897 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.978 3.478 6.040 1.00 0.00 C ATOM 1057 C VAL A 67 -2.298 3.993 5.468 1.00 0.00 C ATOM 1058 O VAL A 67 -2.571 5.176 5.472 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.055 3.055 4.898 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.966 4.162 4.625 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.680 1.774 5.291 1.00 0.00 C ATOM 0 H VAL A 67 -1.185 1.398 6.427 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.498 4.264 6.623 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.647 2.879 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.623 3.858 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.444 5.078 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.559 4.340 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.340 1.469 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.270 1.954 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.045 0.984 5.486 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.118 3.105 4.981 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.426 3.525 4.409 1.00 0.00 C ATOM 1073 C LEU A 68 -5.082 4.561 5.326 1.00 0.00 C ATOM 1074 O LEU A 68 -5.593 5.567 4.876 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.340 2.301 4.288 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.708 2.716 3.735 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.513 3.435 4.822 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.516 3.651 2.539 1.00 0.00 C ATOM 0 H LEU A 68 -2.937 2.101 4.955 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.267 3.965 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.883 1.560 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.461 1.830 5.264 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.250 1.825 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.484 3.727 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.656 2.766 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.972 4.324 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.490 3.945 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.969 4.539 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.952 3.136 1.761 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.080 4.316 6.608 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.715 5.280 7.553 1.00 0.00 C ATOM 1092 C ASP A 69 -4.744 6.423 7.861 1.00 0.00 C ATOM 1093 O ASP A 69 -5.147 7.506 8.234 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.078 4.559 8.853 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.942 5.477 9.721 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -6.712 6.675 9.691 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.816 4.966 10.400 1.00 0.00 O ATOM 0 H ASP A 69 -4.667 3.491 7.042 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.617 5.687 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.616 3.637 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.172 4.278 9.391 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.469 6.189 7.715 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.480 7.265 8.005 1.00 0.00 C ATOM 1104 C GLU A 70 -2.612 8.379 6.967 1.00 0.00 C ATOM 1105 O GLU A 70 -2.766 9.535 7.303 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.064 6.689 7.956 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.178 7.438 8.951 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.489 6.958 10.370 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.535 6.358 10.554 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.323 7.198 11.248 1.00 0.00 O ATOM 0 H GLU A 70 -3.070 5.302 7.408 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.673 7.671 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.083 5.626 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.657 6.780 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.873 7.266 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.351 8.511 8.872 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.554 8.043 5.708 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.677 9.096 4.662 1.00 0.00 C ATOM 1119 C ILE A 71 -4.080 9.700 4.718 1.00 0.00 C ATOM 1120 O ILE A 71 -4.247 10.904 4.704 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.432 8.493 3.276 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.888 7.067 3.418 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.413 9.353 2.527 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.225 6.640 2.106 1.00 0.00 C ATOM 0 H ILE A 71 -2.428 7.092 5.360 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.934 9.872 4.845 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.370 8.465 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.167 7.021 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.697 6.381 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.235 8.928 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.800 10.367 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.477 9.378 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.838 5.626 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.959 6.670 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.405 7.320 1.875 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.092 8.878 4.791 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.476 9.420 4.858 1.00 0.00 C ATOM 1138 C LYS A 72 -6.493 10.602 5.825 1.00 0.00 C ATOM 1139 O LYS A 72 -7.207 11.566 5.635 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.430 8.333 5.357 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.870 8.725 5.019 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.837 7.875 5.843 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.125 7.651 5.051 1.00 0.00 C ATOM 1144 NZ LYS A 72 -10.870 6.680 3.949 1.00 0.00 N ATOM 0 H LYS A 72 -5.020 7.861 4.807 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.796 9.746 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.184 7.377 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.320 8.204 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.029 9.783 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.057 8.580 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.377 6.917 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.060 8.372 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.908 7.273 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.482 8.596 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.245 7.061 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.846 6.522 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.341 5.778 4.165 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.701 10.536 6.861 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.657 11.655 7.840 1.00 0.00 C ATOM 1160 C GLN A 73 -4.972 12.858 7.191 1.00 0.00 C ATOM 1161 O GLN A 73 -5.324 13.994 7.438 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.866 11.219 9.074 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.731 10.298 9.940 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.998 10.965 11.291 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -5.078 11.294 12.012 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -7.230 11.180 11.664 1.00 0.00 N ATOM 0 H GLN A 73 -5.082 9.753 7.070 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.670 11.926 8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.956 10.701 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.559 12.093 9.649 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.673 10.087 9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.227 9.343 10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.002 10.903 11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.421 11.625 12.562 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.999 12.613 6.355 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.294 13.740 5.682 1.00 0.00 C ATOM 1177 C GLN A 74 -4.309 14.570 4.896 1.00 0.00 C ATOM 1178 O GLN A 74 -4.122 15.749 4.670 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.240 13.182 4.725 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.270 12.290 5.501 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.328 13.163 6.331 1.00 0.00 C ATOM 1182 OE1 GLN A 74 -0.210 12.984 7.527 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.354 14.108 5.743 1.00 0.00 N ATOM 0 H GLN A 74 -3.663 11.682 6.110 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.808 14.368 6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.720 12.611 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.698 13.998 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.823 11.613 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.696 11.671 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.255 14.259 4.739 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.985 14.696 6.287 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.386 13.960 4.479 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.418 14.710 3.709 1.00 0.00 C ATOM 1194 C LEU A 75 -7.054 15.773 4.606 1.00 0.00 C ATOM 1195 O LEU A 75 -8.148 16.238 4.354 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.499 13.740 3.227 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.005 12.991 1.987 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.717 13.991 0.865 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.724 12.226 2.328 1.00 0.00 C ATOM 0 H LEU A 75 -5.595 12.975 4.639 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.950 15.192 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.744 13.031 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.413 14.286 2.994 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.772 12.289 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.365 13.456 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.629 14.535 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.951 14.694 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.373 11.693 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.958 12.928 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.928 11.512 3.126 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.380 16.161 5.654 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.948 17.195 6.565 1.00 0.00 C ATOM 1213 C GLN A 76 -7.117 18.510 5.802 1.00 0.00 C ATOM 1214 O GLN A 76 -7.707 19.452 6.292 1.00 0.00 O ATOM 1215 CB GLN A 76 -5.997 17.407 7.746 1.00 0.00 C ATOM 1216 CG GLN A 76 -6.789 17.395 9.056 1.00 0.00 C ATOM 1217 CD GLN A 76 -5.827 17.225 10.233 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -4.914 16.425 10.176 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -5.993 17.950 11.305 1.00 0.00 N ATOM 0 H GLN A 76 -5.461 15.807 5.919 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.919 16.864 6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.240 16.623 7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.472 18.356 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.350 18.323 9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.516 16.583 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.759 18.622 11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.356 17.845 12.095 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.603 18.581 4.605 1.00 0.00 N ATOM 1229 CA GLY A 77 -6.735 19.835 3.810 1.00 0.00 C ATOM 1230 C GLY A 77 -5.381 20.199 3.200 1.00 0.00 C ATOM 1231 O GLY A 77 -4.460 20.583 3.894 1.00 0.00 O ATOM 0 H GLY A 77 -6.097 17.825 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.476 19.702 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.088 20.646 4.447 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.251 20.081 1.906 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.954 20.421 1.252 1.00 0.00 C ATOM 1237 C GLY A 78 -3.572 19.314 0.267 1.00 0.00 C ATOM 1238 O GLY A 78 -3.500 19.531 -0.927 1.00 0.00 O ATOM 0 H GLY A 78 -5.986 19.764 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.037 21.374 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.174 20.537 2.005 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.325 18.131 0.757 1.00 0.00 N ATOM 1243 CA ASP A 79 -2.945 17.011 -0.151 1.00 0.00 C ATOM 1244 C ASP A 79 -4.159 16.590 -0.984 1.00 0.00 C ATOM 1245 O ASP A 79 -4.415 15.418 -1.175 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.467 15.818 0.681 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.145 15.850 2.052 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -2.979 16.837 2.750 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -3.817 14.886 2.380 1.00 0.00 O ATOM 0 H ASP A 79 -3.370 17.891 1.747 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.145 17.341 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.703 14.885 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.384 15.853 0.798 1.00 0.00 H new ATOM 1254 N ASN A 80 -4.909 17.534 -1.485 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.101 17.177 -2.303 1.00 0.00 C ATOM 1256 C ASN A 80 -5.682 16.208 -3.410 1.00 0.00 C ATOM 1257 O ASN A 80 -6.506 15.677 -4.127 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.694 18.444 -2.925 1.00 0.00 C ATOM 1259 CG ASN A 80 -7.582 19.147 -1.896 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -8.103 18.521 -0.996 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -7.776 20.435 -1.993 1.00 0.00 N ATOM 0 H ASN A 80 -4.748 18.534 -1.363 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.851 16.703 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.895 19.111 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.276 18.190 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.365 20.915 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.338 20.961 -2.749 1.00 0.00 H new ATOM 1268 N SER A 81 -4.409 15.958 -3.540 1.00 0.00 N ATOM 1269 CA SER A 81 -3.942 15.006 -4.581 1.00 0.00 C ATOM 1270 C SER A 81 -4.113 13.597 -4.030 1.00 0.00 C ATOM 1271 O SER A 81 -4.509 12.684 -4.727 1.00 0.00 O ATOM 1272 CB SER A 81 -2.469 15.264 -4.897 1.00 0.00 C ATOM 1273 OG SER A 81 -2.372 16.059 -6.072 1.00 0.00 O ATOM 0 H SER A 81 -3.673 16.373 -2.969 1.00 0.00 H new ATOM 0 HA SER A 81 -4.518 15.130 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.989 15.772 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.945 14.319 -5.039 1.00 0.00 H new ATOM 0 HG SER A 81 -1.751 16.801 -5.915 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.842 13.425 -2.765 1.00 0.00 N ATOM 1280 CA LEU A 82 -4.012 12.088 -2.147 1.00 0.00 C ATOM 1281 C LEU A 82 -5.482 11.704 -2.252 1.00 0.00 C ATOM 1282 O LEU A 82 -5.826 10.576 -2.542 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.604 12.148 -0.683 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.093 11.986 -0.588 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.412 12.920 -1.587 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.637 12.333 0.823 1.00 0.00 C ATOM 0 H LEU A 82 -3.510 14.156 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.390 11.352 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.910 13.098 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.104 11.361 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.823 10.955 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.331 12.802 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.739 12.673 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.680 13.952 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.555 12.218 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.908 13.364 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.121 11.666 1.536 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.353 12.650 -2.034 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.804 12.356 -2.138 1.00 0.00 C ATOM 1300 C HIS A 83 -8.028 11.525 -3.399 1.00 0.00 C ATOM 1301 O HIS A 83 -8.992 10.794 -3.518 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.591 13.666 -2.236 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.651 13.694 -1.167 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -9.874 14.812 -0.376 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.554 12.749 -0.747 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -10.876 14.513 0.472 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.323 13.271 0.285 1.00 0.00 N ATOM 0 H HIS A 83 -6.120 13.612 -1.789 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.144 11.810 -1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.919 14.516 -2.120 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -9.050 13.755 -3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.651 11.754 -1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.269 15.195 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.073 12.802 0.793 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.128 11.631 -4.339 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.264 10.849 -5.598 1.00 0.00 C ATOM 1318 C ASN A 84 -6.359 9.617 -5.526 1.00 0.00 C ATOM 1319 O ASN A 84 -6.701 8.556 -6.010 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.850 11.719 -6.788 1.00 0.00 C ATOM 1321 CG ASN A 84 -8.101 12.219 -7.516 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.286 11.945 -8.685 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -8.972 12.944 -6.870 1.00 0.00 N ATOM 0 H ASN A 84 -6.302 12.228 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.300 10.535 -5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.254 12.565 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.224 11.145 -7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.809 13.281 -7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.816 13.174 -5.888 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.206 9.746 -4.924 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.282 8.587 -4.818 1.00 0.00 C ATOM 1332 C VAL A 85 -4.612 7.786 -3.558 1.00 0.00 C ATOM 1333 O VAL A 85 -4.692 6.574 -3.584 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.847 9.102 -4.738 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.881 7.959 -5.032 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.647 10.215 -5.768 1.00 0.00 C ATOM 0 H VAL A 85 -4.866 10.609 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.393 7.944 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.656 9.493 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.856 8.325 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.024 7.165 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.072 7.569 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.623 10.583 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.838 9.824 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.338 11.032 -5.560 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.810 8.453 -2.453 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.141 7.726 -1.196 1.00 0.00 C ATOM 1348 C HIS A 86 -6.316 6.782 -1.461 1.00 0.00 C ATOM 1349 O HIS A 86 -6.493 5.790 -0.783 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.516 8.737 -0.104 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.509 8.121 0.845 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.852 7.984 0.523 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.371 7.606 2.110 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.464 7.409 1.576 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.605 7.159 2.566 1.00 0.00 N ATOM 0 H HIS A 86 -4.757 9.468 -2.367 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.279 7.148 -0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.623 9.046 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.940 9.634 -0.556 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.295 8.267 -0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.446 7.556 2.665 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.519 7.179 1.614 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.115 7.081 -2.449 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.271 6.199 -2.764 1.00 0.00 C ATOM 1366 C GLU A 87 -7.756 4.923 -3.431 1.00 0.00 C ATOM 1367 O GLU A 87 -8.447 3.926 -3.507 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.225 6.923 -3.717 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.027 7.969 -2.942 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.346 7.356 -2.470 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.313 6.247 -1.964 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.368 8.005 -2.626 1.00 0.00 O ATOM 0 H GLU A 87 -7.016 7.898 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.803 5.948 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.661 7.402 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.900 6.207 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.452 8.323 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.222 8.835 -3.575 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.545 4.950 -3.914 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.978 3.743 -4.574 1.00 0.00 C ATOM 1381 C ASN A 88 -5.731 2.660 -3.525 1.00 0.00 C ATOM 1382 O ASN A 88 -6.310 1.594 -3.573 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.656 4.108 -5.252 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.902 5.202 -6.291 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.867 5.937 -6.200 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.067 5.345 -7.284 1.00 0.00 N ATOM 0 H ASN A 88 -5.923 5.758 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.679 3.372 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.937 4.452 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.225 3.228 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.224 6.072 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.257 4.730 -7.362 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.878 2.925 -2.574 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.598 1.910 -1.521 1.00 0.00 C ATOM 1395 C ILE A 89 -5.887 1.157 -1.187 1.00 0.00 C ATOM 1396 O ILE A 89 -5.953 -0.050 -1.284 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.062 2.612 -0.264 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.624 3.082 -0.527 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.076 1.646 0.929 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.826 3.083 0.780 1.00 0.00 C ATOM 0 H ILE A 89 -4.363 3.801 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.852 1.202 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.696 3.467 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.146 2.426 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.633 4.083 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.694 2.155 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.097 1.312 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.447 0.784 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.807 3.418 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.298 3.757 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.803 2.075 1.193 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.912 1.856 -0.787 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.185 1.165 -0.437 1.00 0.00 C ATOM 1414 C LYS A 90 -8.473 0.062 -1.459 1.00 0.00 C ATOM 1415 O LYS A 90 -8.650 -1.087 -1.107 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.336 2.173 -0.436 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.129 2.037 0.867 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.828 0.675 0.899 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.053 0.248 2.351 1.00 0.00 C ATOM 1420 NZ LYS A 90 -11.747 -1.071 2.379 1.00 0.00 N ATOM 0 H LYS A 90 -6.924 2.871 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.090 0.723 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.947 3.186 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.988 1.998 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.462 2.136 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.865 2.837 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.782 0.732 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.222 -0.068 0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.099 0.180 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.650 0.996 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.900 -1.362 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.664 -0.991 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.161 -1.782 1.896 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.517 0.395 -2.720 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.791 -0.648 -3.749 1.00 0.00 C ATOM 1436 C GLU A 91 -7.542 -1.509 -3.939 1.00 0.00 C ATOM 1437 O GLU A 91 -7.611 -2.720 -4.007 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.154 0.021 -5.078 1.00 0.00 C ATOM 1439 CG GLU A 91 -9.725 -1.025 -6.035 1.00 0.00 C ATOM 1440 CD GLU A 91 -9.327 -0.676 -7.471 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -8.138 -0.646 -7.745 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -10.218 -0.447 -8.273 1.00 0.00 O ATOM 0 H GLU A 91 -8.376 1.339 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.622 -1.272 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.883 0.814 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.271 0.487 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.351 -2.015 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.811 -1.060 -5.946 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.402 -0.887 -4.022 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.141 -1.654 -4.207 1.00 0.00 C ATOM 1451 C ILE A 92 -4.912 -2.562 -2.994 1.00 0.00 C ATOM 1452 O ILE A 92 -4.822 -3.768 -3.109 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.977 -0.663 -4.335 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.679 -0.419 -5.816 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.730 -1.227 -3.648 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.883 -1.597 -6.378 1.00 0.00 C ATOM 0 H ILE A 92 -6.288 0.125 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.206 -2.268 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.252 0.277 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.610 -0.298 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.114 0.506 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.909 -0.517 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.941 -1.397 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.451 -2.170 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.671 -1.423 -7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.945 -1.697 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.464 -2.513 -6.271 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.801 -1.982 -1.835 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.562 -2.789 -0.606 1.00 0.00 C ATOM 1470 C PHE A 93 -5.624 -3.878 -0.477 1.00 0.00 C ATOM 1471 O PHE A 93 -5.350 -4.973 -0.025 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.619 -1.865 0.610 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.802 -2.671 1.868 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.160 -3.905 2.017 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.613 -2.174 2.891 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.332 -4.643 3.191 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.786 -2.910 4.063 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.147 -4.146 4.216 1.00 0.00 C ATOM 0 H PHE A 93 -4.866 -0.975 -1.683 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.583 -3.264 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.701 -1.280 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.441 -1.158 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.532 -4.287 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.106 -1.220 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.837 -5.596 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.414 -2.526 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.282 -4.716 5.123 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.832 -3.598 -0.871 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.896 -4.631 -0.768 1.00 0.00 C ATOM 1490 C HIS A 94 -7.858 -5.511 -2.016 1.00 0.00 C ATOM 1491 O HIS A 94 -8.604 -6.462 -2.140 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.260 -3.954 -0.656 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.337 -5.003 -0.654 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.557 -4.814 -1.290 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.394 -6.256 -0.097 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.289 -5.928 -1.102 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.626 -6.834 -0.381 1.00 0.00 N ATOM 0 H HIS A 94 -7.128 -2.702 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.730 -5.244 0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.311 -3.362 0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.407 -3.267 -1.489 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.604 -6.721 0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.288 -6.071 -1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.954 -7.757 -0.098 1.00 0.00 H new ATOM 1506 N HIS A 95 -6.986 -5.206 -2.940 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.899 -6.035 -4.175 1.00 0.00 C ATOM 1508 C HIS A 95 -5.965 -7.213 -3.914 1.00 0.00 C ATOM 1509 O HIS A 95 -6.055 -8.243 -4.551 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.361 -5.196 -5.335 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.504 -4.774 -6.214 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.574 -5.616 -6.488 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.766 -3.604 -6.886 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -9.422 -4.947 -7.289 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.976 -3.719 -7.561 1.00 0.00 N ATOM 0 H HIS A 95 -6.334 -4.423 -2.893 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.891 -6.400 -4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.838 -4.319 -4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.638 -5.773 -5.911 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -8.695 -6.569 -6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.131 -2.731 -6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.349 -5.353 -7.666 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.074 -7.078 -2.969 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.151 -8.202 -2.660 1.00 0.00 C ATOM 1526 C LEU A 96 -4.931 -9.264 -1.888 1.00 0.00 C ATOM 1527 O LEU A 96 -5.019 -10.405 -2.299 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.990 -7.700 -1.802 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.669 -8.317 -2.282 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.634 -8.198 -1.168 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.862 -9.799 -2.621 1.00 0.00 C ATOM 0 H LEU A 96 -4.947 -6.240 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.751 -8.620 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.932 -6.613 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.162 -7.959 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.335 -7.788 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.309 -8.634 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.482 -7.147 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.988 -8.728 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.916 -10.221 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.201 -10.334 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.607 -9.898 -3.411 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.513 -8.898 -0.777 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.297 -9.890 0.002 1.00 0.00 C ATOM 1545 C GLU A 97 -7.289 -10.574 -0.939 1.00 0.00 C ATOM 1546 O GLU A 97 -7.990 -11.493 -0.563 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.060 -9.179 1.123 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.493 -10.202 2.178 1.00 0.00 C ATOM 1549 CD GLU A 97 -9.013 -10.152 2.347 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -9.541 -9.057 2.461 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.623 -11.209 2.361 1.00 0.00 O ATOM 0 H GLU A 97 -5.478 -7.959 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.628 -10.630 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.429 -8.416 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.933 -8.669 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.183 -11.203 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.004 -9.989 3.128 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.346 -10.130 -2.166 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.282 -10.746 -3.142 1.00 0.00 C ATOM 1560 C GLU A 98 -7.580 -11.909 -3.842 1.00 0.00 C ATOM 1561 O GLU A 98 -8.176 -12.935 -4.104 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.708 -9.702 -4.177 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.838 -10.270 -5.036 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.443 -9.153 -5.889 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -9.844 -8.814 -6.897 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.494 -8.656 -5.521 1.00 0.00 O ATOM 0 H GLU A 98 -6.781 -9.364 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.167 -11.112 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.039 -8.792 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.860 -9.430 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.457 -11.065 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.605 -10.712 -4.400 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.313 -11.770 -4.141 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.595 -12.886 -4.811 1.00 0.00 C ATOM 1575 C LEU A 99 -5.592 -14.086 -3.868 1.00 0.00 C ATOM 1576 O LEU A 99 -5.447 -15.220 -4.280 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.156 -12.464 -5.120 1.00 0.00 C ATOM 1578 CG LEU A 99 -3.883 -12.652 -6.615 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -4.555 -11.524 -7.400 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -2.375 -12.617 -6.873 1.00 0.00 C ATOM 0 H LEU A 99 -5.753 -10.939 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.090 -13.145 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.002 -11.422 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.456 -13.059 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.284 -13.614 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.362 -11.656 -8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.630 -11.546 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.153 -10.565 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.185 -12.751 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.973 -11.656 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.892 -13.418 -6.314 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.766 -13.835 -2.599 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.792 -14.942 -1.606 1.00 0.00 C ATOM 1594 C VAL A 100 -7.247 -15.286 -1.289 1.00 0.00 C ATOM 1595 O VAL A 100 -7.573 -16.402 -0.936 1.00 0.00 O ATOM 1596 CB VAL A 100 -5.073 -14.492 -0.333 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -4.062 -13.405 -0.683 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -6.088 -13.927 0.655 1.00 0.00 C ATOM 0 H VAL A 100 -5.892 -12.902 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.290 -15.822 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.562 -15.345 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.547 -13.082 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.335 -13.799 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.580 -12.556 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.574 -13.607 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.597 -13.074 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.819 -14.696 0.905 1.00 0.00 H new ATOM 1608 N HIS A 101 -8.121 -14.326 -1.406 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.553 -14.585 -1.106 1.00 0.00 C ATOM 1610 C HIS A 101 -10.034 -15.789 -1.917 1.00 0.00 C ATOM 1611 O HIS A 101 -11.117 -16.299 -1.708 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.384 -13.354 -1.475 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.847 -13.678 -1.349 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.801 -13.128 -2.196 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.537 -14.489 -0.481 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -14.001 -13.611 -1.821 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.894 -14.442 -0.784 1.00 0.00 N ATOM 0 H HIS A 101 -7.904 -13.373 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.669 -14.794 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.128 -12.520 -0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.157 -13.041 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.095 -15.072 0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.934 -13.357 -2.301 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.649 -14.939 -0.312 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.237 -16.246 -2.844 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.648 -17.415 -3.672 1.00 0.00 C ATOM 1628 C ARG A 102 -8.479 -18.395 -3.789 1.00 0.00 C ATOM 1629 O ARG A 102 -7.980 -18.818 -2.759 1.00 0.00 O ATOM 1630 CB ARG A 102 -10.048 -16.931 -5.066 1.00 0.00 C ATOM 1631 CG ARG A 102 -9.162 -15.751 -5.466 1.00 0.00 C ATOM 1632 CD ARG A 102 -9.396 -15.414 -6.939 1.00 0.00 C ATOM 1633 NE ARG A 102 -8.675 -14.156 -7.280 1.00 0.00 N ATOM 1634 CZ ARG A 102 -8.761 -13.661 -8.484 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -9.488 -14.261 -9.388 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -8.120 -12.566 -8.784 1.00 0.00 N ATOM 1637 OXT ARG A 102 -8.100 -18.704 -4.907 1.00 0.00 O ATOM 0 H ARG A 102 -8.319 -15.860 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.494 -17.916 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.943 -17.740 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.096 -16.632 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.388 -14.885 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.113 -15.997 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.044 -16.230 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.463 -15.298 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.114 -13.682 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.989 -15.118 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.554 -13.873 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.552 -12.098 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.186 -12.178 -9.725 1.00 0.00 H new TER 1651 ARG A 102