USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -5.14 K(o=-7,f=-9.6!) USER MOD Set 1.2: A 81 THR OG1 : rot -110:sc= -1.89 USER MOD Set 2.1: A 65 GLN : amide:sc=-0.000771 X(o=-0.024,f=0.02) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -148:sc= -0.0236 (180deg=0) USER MOD Set 3.1: A 13 GLN : amide:sc= -1.9 K(o=-3.9,f=-0.14!) USER MOD Set 3.2: A 38 GLN : amide:sc= -2.04 K(o=-3.9,f=-0.14) USER MOD Set 4.1: A 31 HIS : no HD1:sc= -1.17 X(o=-4,f=-4.2) USER MOD Set 4.2: A 35 ASN : amide:sc= -2.82 K(o=-4,f=-5.8!) USER MOD Set 5.1: A 24 HIS : no HD1:sc= -1.82 X(o=-3.1,f=-3.5) USER MOD Set 5.2: A 74 HIS : no HD1:sc= -1.3 X(o=-3.1,f=-3) USER MOD Set 6.1: A 17 LYS NZ :NH3+ -156:sc=-0.00959 (180deg=0) USER MOD Set 6.2: A 21 LYS NZ :NH3+ 179:sc= -1.38 (180deg=-1.48) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0306) USER MOD Single : A 6 ASN : amide:sc= -3.48 K(o=-3.5,f=-15!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 36 HIS : no HD1:sc= -3.5 X(o=-3.5,f=-3.5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 48 MET CE :methyl -157:sc= -10.2! (180deg=-12.3!) USER MOD Single : A 49 GLN : amide:sc= -0.999 K(o=-1,f=-2.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= -4.48 (180deg=-8.58!) USER MOD Single : A 58 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.4!) USER MOD Single : A 60 MET CE :methyl 155:sc= -4.61! (180deg=-7.48!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0445 X(o=-0.044,f=-0.29) USER MOD Single : A 72 ASN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 83 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.6!) USER MOD Single : A 84 HIS : no HD1:sc=-0.00646 X(o=-0.0065,f=-0.16) USER MOD Single : A 87 GLN : amide:sc= -2.35 K(o=-2.4,f=-4.9!) USER MOD Single : A 88 ASN : amide:sc= 0.276 X(o=0.28,f=-0.2) USER MOD Single : A 94 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-1.8!) USER MOD Single : A 95 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.22) USER MOD Single : A 101 HIS : no HE2:sc= 0.0129 X(o=0.013,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -1.211 -16.355 5.135 1.00 0.00 N ATOM 42 CA GLY A 3 -1.910 -15.192 5.648 1.00 0.00 C ATOM 43 C GLY A 3 -1.076 -14.385 6.622 1.00 0.00 C ATOM 44 O GLY A 3 -1.582 -13.462 7.261 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.204 -14.554 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.827 -15.514 6.142 1.00 0.00 H new ATOM 48 N LYS A 4 0.205 -14.723 6.736 1.00 0.00 N ATOM 49 CA LYS A 4 1.099 -14.007 7.639 1.00 0.00 C ATOM 50 C LYS A 4 1.719 -12.815 6.945 1.00 0.00 C ATOM 51 O LYS A 4 2.169 -11.874 7.600 1.00 0.00 O ATOM 52 CB LYS A 4 2.192 -14.932 8.172 1.00 0.00 C ATOM 53 CG LYS A 4 2.981 -14.338 9.329 1.00 0.00 C ATOM 54 CD LYS A 4 2.187 -14.381 10.624 1.00 0.00 C ATOM 55 CE LYS A 4 2.992 -13.827 11.789 1.00 0.00 C ATOM 56 NZ LYS A 4 4.085 -14.752 12.199 1.00 0.00 N ATOM 0 H LYS A 4 0.645 -15.483 6.218 1.00 0.00 H new ATOM 0 HA LYS A 4 0.507 -13.651 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.738 -15.869 8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.879 -15.174 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.914 -14.887 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.247 -13.306 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.269 -13.805 10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.894 -15.409 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.418 -12.863 11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.330 -13.650 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.545 -14.387 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.689 -15.694 12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.786 -14.822 11.434 1.00 0.00 H new ATOM 70 N LEU A 5 1.704 -12.825 5.618 1.00 0.00 N ATOM 71 CA LEU A 5 2.231 -11.703 4.867 1.00 0.00 C ATOM 72 C LEU A 5 1.540 -10.422 5.331 1.00 0.00 C ATOM 73 O LEU A 5 2.045 -9.319 5.125 1.00 0.00 O ATOM 74 CB LEU A 5 2.022 -11.910 3.364 1.00 0.00 C ATOM 75 CG LEU A 5 3.221 -11.532 2.493 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.657 -10.107 2.789 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.373 -12.501 2.722 1.00 0.00 C ATOM 0 H LEU A 5 1.337 -13.588 5.050 1.00 0.00 H new ATOM 0 HA LEU A 5 3.303 -11.623 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.777 -12.957 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.160 -11.323 3.047 1.00 0.00 H new ATOM 0 HG LEU A 5 2.924 -11.594 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.511 -9.850 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.834 -9.424 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.939 -10.023 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.218 -12.217 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.673 -12.469 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.055 -13.512 2.466 1.00 0.00 H new ATOM 89 N ASN A 6 0.377 -10.587 5.976 1.00 0.00 N ATOM 90 CA ASN A 6 -0.380 -9.459 6.485 1.00 0.00 C ATOM 91 C ASN A 6 0.425 -8.685 7.518 1.00 0.00 C ATOM 92 O ASN A 6 0.474 -7.456 7.484 1.00 0.00 O ATOM 93 CB ASN A 6 -1.699 -9.922 7.095 1.00 0.00 C ATOM 94 CG ASN A 6 -1.500 -10.915 8.224 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.437 -11.521 8.353 1.00 0.00 O ATOM 96 ND2 ASN A 6 -2.528 -11.086 9.048 1.00 0.00 N ATOM 0 H ASN A 6 -0.052 -11.496 6.153 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.595 -8.799 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.246 -9.057 7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.314 -10.377 6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.454 -11.742 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.391 -10.562 8.903 1.00 0.00 H new ATOM 103 N ASP A 7 1.066 -9.409 8.432 1.00 0.00 N ATOM 104 CA ASP A 7 1.880 -8.778 9.466 1.00 0.00 C ATOM 105 C ASP A 7 2.839 -7.771 8.838 1.00 0.00 C ATOM 106 O ASP A 7 3.227 -6.786 9.467 1.00 0.00 O ATOM 107 CB ASP A 7 2.665 -9.834 10.246 1.00 0.00 C ATOM 108 CG ASP A 7 3.031 -9.368 11.641 1.00 0.00 C ATOM 109 OD1 ASP A 7 2.164 -9.439 12.538 1.00 0.00 O ATOM 110 OD2 ASP A 7 4.185 -8.932 11.839 1.00 0.00 O ATOM 0 H ASP A 7 1.038 -10.428 8.478 1.00 0.00 H new ATOM 0 HA ASP A 7 1.219 -8.254 10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.073 -10.746 10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.574 -10.084 9.699 1.00 0.00 H new ATOM 115 N LEU A 8 3.205 -8.027 7.585 1.00 0.00 N ATOM 116 CA LEU A 8 4.106 -7.150 6.852 1.00 0.00 C ATOM 117 C LEU A 8 3.320 -6.045 6.151 1.00 0.00 C ATOM 118 O LEU A 8 3.837 -4.950 5.929 1.00 0.00 O ATOM 119 CB LEU A 8 4.915 -7.962 5.833 1.00 0.00 C ATOM 120 CG LEU A 8 5.723 -7.147 4.814 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.833 -6.689 3.669 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.401 -5.956 5.481 1.00 0.00 C ATOM 0 H LEU A 8 2.888 -8.840 7.056 1.00 0.00 H new ATOM 0 HA LEU A 8 4.796 -6.686 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.602 -8.610 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.229 -8.611 5.288 1.00 0.00 H new ATOM 0 HG LEU A 8 6.502 -7.791 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.424 -6.113 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.408 -7.559 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.028 -6.067 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.967 -5.396 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.645 -5.309 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.077 -6.311 6.259 1.00 0.00 H new ATOM 134 N LEU A 9 2.065 -6.334 5.806 1.00 0.00 N ATOM 135 CA LEU A 9 1.220 -5.354 5.134 1.00 0.00 C ATOM 136 C LEU A 9 0.778 -4.263 6.106 1.00 0.00 C ATOM 137 O LEU A 9 0.705 -3.089 5.746 1.00 0.00 O ATOM 138 CB LEU A 9 -0.008 -6.032 4.526 1.00 0.00 C ATOM 139 CG LEU A 9 0.206 -6.627 3.132 1.00 0.00 C ATOM 140 CD1 LEU A 9 -0.784 -7.752 2.875 1.00 0.00 C ATOM 141 CD2 LEU A 9 0.078 -5.548 2.069 1.00 0.00 C ATOM 0 H LEU A 9 1.616 -7.233 5.980 1.00 0.00 H new ATOM 0 HA LEU A 9 1.805 -4.897 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.336 -6.826 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.818 -5.304 4.474 1.00 0.00 H new ATOM 0 HG LEU A 9 1.214 -7.040 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.617 -8.163 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.645 -8.536 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.801 -7.364 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.233 -5.988 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.917 -5.106 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.827 -4.775 2.243 1.00 0.00 H new ATOM 153 N GLU A 10 0.480 -4.662 7.342 1.00 0.00 N ATOM 154 CA GLU A 10 0.038 -3.721 8.372 1.00 0.00 C ATOM 155 C GLU A 10 0.866 -2.439 8.349 1.00 0.00 C ATOM 156 O GLU A 10 0.358 -1.355 8.637 1.00 0.00 O ATOM 157 CB GLU A 10 0.125 -4.371 9.755 1.00 0.00 C ATOM 158 CG GLU A 10 -0.680 -3.644 10.820 1.00 0.00 C ATOM 159 CD GLU A 10 -0.659 -4.360 12.156 1.00 0.00 C ATOM 160 OE1 GLU A 10 -0.612 -5.608 12.160 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.689 -3.672 13.198 1.00 0.00 O ATOM 0 H GLU A 10 0.537 -5.631 7.655 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.999 -3.459 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.226 -5.401 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.170 -4.410 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.283 -2.637 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.712 -3.541 10.483 1.00 0.00 H new ATOM 168 N ASP A 11 2.139 -2.568 7.996 1.00 0.00 N ATOM 169 CA ASP A 11 3.030 -1.417 7.927 1.00 0.00 C ATOM 170 C ASP A 11 2.716 -0.571 6.698 1.00 0.00 C ATOM 171 O ASP A 11 2.517 0.638 6.797 1.00 0.00 O ATOM 172 CB ASP A 11 4.489 -1.876 7.888 1.00 0.00 C ATOM 173 CG ASP A 11 5.093 -2.006 9.272 1.00 0.00 C ATOM 174 OD1 ASP A 11 4.654 -2.896 10.030 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.005 -1.217 9.599 1.00 0.00 O ATOM 0 H ASP A 11 2.577 -3.457 7.753 1.00 0.00 H new ATOM 0 HA ASP A 11 2.875 -0.809 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.551 -2.836 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.075 -1.166 7.305 1.00 0.00 H new ATOM 180 N LEU A 12 2.677 -1.221 5.539 1.00 0.00 N ATOM 181 CA LEU A 12 2.390 -0.543 4.279 1.00 0.00 C ATOM 182 C LEU A 12 1.122 0.302 4.380 1.00 0.00 C ATOM 183 O LEU A 12 1.094 1.431 3.905 1.00 0.00 O ATOM 184 CB LEU A 12 2.321 -1.585 3.136 1.00 0.00 C ATOM 185 CG LEU A 12 1.085 -1.594 2.209 1.00 0.00 C ATOM 186 CD1 LEU A 12 -0.125 -2.183 2.906 1.00 0.00 C ATOM 187 CD2 LEU A 12 0.770 -0.210 1.665 1.00 0.00 C ATOM 0 H LEU A 12 2.842 -2.223 5.446 1.00 0.00 H new ATOM 0 HA LEU A 12 3.198 0.153 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.202 -1.446 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.403 -2.574 3.586 1.00 0.00 H new ATOM 0 HG LEU A 12 1.334 -2.232 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.977 -2.174 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.091 -3.209 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.360 -1.590 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.106 -0.264 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.569 0.469 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.621 0.158 1.093 1.00 0.00 H new ATOM 199 N GLN A 13 0.081 -0.238 4.999 1.00 0.00 N ATOM 200 CA GLN A 13 -1.174 0.494 5.141 1.00 0.00 C ATOM 201 C GLN A 13 -1.059 1.606 6.183 1.00 0.00 C ATOM 202 O GLN A 13 -1.612 2.690 6.006 1.00 0.00 O ATOM 203 CB GLN A 13 -2.306 -0.464 5.518 1.00 0.00 C ATOM 204 CG GLN A 13 -3.644 0.227 5.738 1.00 0.00 C ATOM 205 CD GLN A 13 -4.273 -0.129 7.071 1.00 0.00 C ATOM 206 OE1 GLN A 13 -3.995 -1.185 7.639 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.125 0.754 7.579 1.00 0.00 N ATOM 0 H GLN A 13 0.078 -1.172 5.408 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.400 0.956 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.417 -1.209 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.030 -0.999 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.504 1.307 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.327 -0.047 4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.327 1.617 7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.578 0.569 8.474 1.00 0.00 H new ATOM 216 N GLU A 14 -0.336 1.338 7.266 1.00 0.00 N ATOM 217 CA GLU A 14 -0.153 2.330 8.320 1.00 0.00 C ATOM 218 C GLU A 14 0.812 3.408 7.861 1.00 0.00 C ATOM 219 O GLU A 14 0.740 4.555 8.302 1.00 0.00 O ATOM 220 CB GLU A 14 0.361 1.668 9.600 1.00 0.00 C ATOM 221 CG GLU A 14 -0.010 2.422 10.866 1.00 0.00 C ATOM 222 CD GLU A 14 1.029 2.270 11.960 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.279 1.123 12.387 1.00 0.00 O ATOM 224 OE2 GLU A 14 1.592 3.298 12.391 1.00 0.00 O ATOM 0 H GLU A 14 0.131 0.447 7.436 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.118 2.789 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.037 0.655 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.446 1.581 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.134 3.479 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.972 2.062 11.231 1.00 0.00 H new ATOM 231 N VAL A 15 1.704 3.032 6.959 1.00 0.00 N ATOM 232 CA VAL A 15 2.675 3.960 6.418 1.00 0.00 C ATOM 233 C VAL A 15 1.975 5.054 5.621 1.00 0.00 C ATOM 234 O VAL A 15 2.498 6.157 5.461 1.00 0.00 O ATOM 235 CB VAL A 15 3.715 3.219 5.547 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.267 3.065 4.094 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.059 3.914 5.634 1.00 0.00 C ATOM 0 H VAL A 15 1.773 2.085 6.587 1.00 0.00 H new ATOM 0 HA VAL A 15 3.206 4.428 7.247 1.00 0.00 H new ATOM 0 HB VAL A 15 3.811 2.209 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.036 2.538 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.337 2.497 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.107 4.050 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.784 3.383 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.962 4.940 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.399 3.919 6.669 1.00 0.00 H new ATOM 247 N LEU A 16 0.777 4.738 5.133 1.00 0.00 N ATOM 248 CA LEU A 16 -0.009 5.689 4.364 1.00 0.00 C ATOM 249 C LEU A 16 -0.444 6.851 5.249 1.00 0.00 C ATOM 250 O LEU A 16 -0.461 8.001 4.812 1.00 0.00 O ATOM 251 CB LEU A 16 -1.237 5.005 3.752 1.00 0.00 C ATOM 252 CG LEU A 16 -1.027 4.376 2.369 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.184 5.272 1.475 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.377 3.015 2.506 1.00 0.00 C ATOM 0 H LEU A 16 0.333 3.829 5.259 1.00 0.00 H new ATOM 0 HA LEU A 16 0.612 6.074 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.576 4.228 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.040 5.738 3.679 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.005 4.260 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.054 4.797 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.684 6.232 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.792 5.430 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.233 2.579 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.589 3.121 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.018 2.364 3.100 1.00 0.00 H new ATOM 266 N LYS A 17 -0.782 6.545 6.502 1.00 0.00 N ATOM 267 CA LYS A 17 -1.204 7.569 7.455 1.00 0.00 C ATOM 268 C LYS A 17 -0.283 8.781 7.371 1.00 0.00 C ATOM 269 O LYS A 17 -0.713 9.921 7.544 1.00 0.00 O ATOM 270 CB LYS A 17 -1.203 7.008 8.877 1.00 0.00 C ATOM 271 CG LYS A 17 -1.683 7.999 9.923 1.00 0.00 C ATOM 272 CD LYS A 17 -3.192 8.177 9.870 1.00 0.00 C ATOM 273 CE LYS A 17 -3.591 9.283 8.907 1.00 0.00 C ATOM 274 NZ LYS A 17 -3.902 10.554 9.617 1.00 0.00 N ATOM 0 H LYS A 17 -0.771 5.597 6.879 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.218 7.879 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.838 6.122 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.193 6.686 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.391 7.653 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.196 8.961 9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.659 7.241 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.567 8.409 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.783 9.453 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.461 8.967 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.534 11.134 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.368 10.341 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.021 11.076 9.796 1.00 0.00 H new ATOM 288 N ASN A 18 0.984 8.515 7.078 1.00 0.00 N ATOM 289 CA ASN A 18 1.978 9.575 6.940 1.00 0.00 C ATOM 290 C ASN A 18 1.808 10.273 5.599 1.00 0.00 C ATOM 291 O ASN A 18 1.815 11.501 5.512 1.00 0.00 O ATOM 292 CB ASN A 18 3.391 8.996 7.040 1.00 0.00 C ATOM 293 CG ASN A 18 3.707 8.479 8.429 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.255 9.201 9.263 1.00 0.00 O ATOM 295 ND2 ASN A 18 3.364 7.222 8.685 1.00 0.00 N ATOM 0 H ASN A 18 1.349 7.574 6.931 1.00 0.00 H new ATOM 0 HA ASN A 18 1.832 10.295 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.500 8.185 6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.115 9.764 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.553 6.819 9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.912 6.660 7.964 1.00 0.00 H new ATOM 302 N LEU A 19 1.652 9.468 4.558 1.00 0.00 N ATOM 303 CA LEU A 19 1.477 9.965 3.200 1.00 0.00 C ATOM 304 C LEU A 19 0.423 11.073 3.146 1.00 0.00 C ATOM 305 O LEU A 19 0.607 12.084 2.469 1.00 0.00 O ATOM 306 CB LEU A 19 1.107 8.787 2.283 1.00 0.00 C ATOM 307 CG LEU A 19 -0.085 8.989 1.344 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.109 8.188 0.066 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.377 8.581 2.027 1.00 0.00 C ATOM 0 H LEU A 19 1.643 8.451 4.631 1.00 0.00 H new ATOM 0 HA LEU A 19 2.411 10.407 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.979 8.542 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.901 7.920 2.911 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.147 10.047 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.746 8.341 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.018 8.519 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.194 7.129 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.213 8.732 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.323 7.529 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.524 9.188 2.920 1.00 0.00 H new ATOM 321 N HIS A 20 -0.676 10.873 3.861 1.00 0.00 N ATOM 322 CA HIS A 20 -1.766 11.847 3.898 1.00 0.00 C ATOM 323 C HIS A 20 -1.260 13.263 4.160 1.00 0.00 C ATOM 324 O HIS A 20 -1.745 14.227 3.568 1.00 0.00 O ATOM 325 CB HIS A 20 -2.762 11.478 5.003 1.00 0.00 C ATOM 326 CG HIS A 20 -3.671 10.335 4.674 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.956 10.508 4.206 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.491 8.997 4.785 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.529 9.328 4.047 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.661 8.395 4.391 1.00 0.00 N ATOM 0 H HIS A 20 -0.839 10.041 4.427 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.247 11.823 2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.205 11.232 5.907 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.370 12.353 5.231 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.595 8.497 5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.536 9.156 3.696 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.832 7.390 4.368 1.00 0.00 H new ATOM 339 N LYS A 21 -0.320 13.381 5.090 1.00 0.00 N ATOM 340 CA LYS A 21 0.214 14.682 5.486 1.00 0.00 C ATOM 341 C LYS A 21 1.366 15.155 4.605 1.00 0.00 C ATOM 342 O LYS A 21 1.969 16.192 4.880 1.00 0.00 O ATOM 343 CB LYS A 21 0.669 14.618 6.941 1.00 0.00 C ATOM 344 CG LYS A 21 -0.301 13.869 7.837 1.00 0.00 C ATOM 345 CD LYS A 21 -1.596 14.648 8.026 1.00 0.00 C ATOM 346 CE LYS A 21 -2.707 14.141 7.113 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.316 12.883 7.627 1.00 0.00 N ATOM 0 H LYS A 21 0.090 12.590 5.586 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.589 15.409 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.645 14.135 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.796 15.632 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.521 12.894 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.162 13.689 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.917 14.571 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.416 15.704 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.478 14.906 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.306 13.969 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.078 12.580 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.589 12.140 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.706 13.049 8.577 1.00 0.00 H new ATOM 361 N ASN A 22 1.677 14.412 3.551 1.00 0.00 N ATOM 362 CA ASN A 22 2.767 14.806 2.667 1.00 0.00 C ATOM 363 C ASN A 22 2.494 14.429 1.215 1.00 0.00 C ATOM 364 O ASN A 22 3.394 14.481 0.382 1.00 0.00 O ATOM 365 CB ASN A 22 4.077 14.170 3.129 1.00 0.00 C ATOM 366 CG ASN A 22 4.608 14.798 4.403 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.544 15.596 4.372 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.009 14.440 5.533 1.00 0.00 N ATOM 0 H ASN A 22 1.200 13.549 3.290 1.00 0.00 H new ATOM 0 HA ASN A 22 2.848 15.892 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.922 13.103 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.823 14.268 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.322 14.830 6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.236 13.775 5.512 1.00 0.00 H new ATOM 375 N TRP A 23 1.257 14.055 0.905 1.00 0.00 N ATOM 376 CA TRP A 23 0.912 13.682 -0.458 1.00 0.00 C ATOM 377 C TRP A 23 0.568 14.916 -1.290 1.00 0.00 C ATOM 378 O TRP A 23 0.843 14.961 -2.487 1.00 0.00 O ATOM 379 CB TRP A 23 -0.242 12.672 -0.461 1.00 0.00 C ATOM 380 CG TRP A 23 -1.576 13.268 -0.754 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.588 13.468 0.122 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.040 13.720 -2.016 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.658 14.043 -0.508 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.346 14.207 -1.835 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.470 13.765 -3.279 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.091 14.734 -2.887 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.199 14.281 -4.318 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.502 14.763 -4.123 1.00 0.00 C ATOM 0 H TRP A 23 0.487 14.003 1.571 1.00 0.00 H new ATOM 0 HA TRP A 23 1.780 13.207 -0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.032 11.899 -1.201 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.282 12.180 0.511 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.556 13.210 1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.539 14.306 -0.066 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.467 13.399 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.094 15.105 -2.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.763 14.317 -5.305 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.050 15.164 -4.963 1.00 0.00 H new ATOM 399 N HIS A 24 -0.030 15.912 -0.647 1.00 0.00 N ATOM 400 CA HIS A 24 -0.408 17.147 -1.327 1.00 0.00 C ATOM 401 C HIS A 24 -1.036 18.129 -0.347 1.00 0.00 C ATOM 402 O HIS A 24 -0.632 19.290 -0.270 1.00 0.00 O ATOM 403 CB HIS A 24 -1.384 16.856 -2.469 1.00 0.00 C ATOM 404 CG HIS A 24 -1.752 18.067 -3.271 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.802 18.068 -4.649 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.091 19.322 -2.885 1.00 0.00 C ATOM 407 CE1 HIS A 24 -2.152 19.268 -5.076 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.335 20.046 -4.026 1.00 0.00 N ATOM 0 H HIS A 24 -0.264 15.889 0.345 1.00 0.00 H new ATOM 0 HA HIS A 24 0.496 17.594 -1.742 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.942 16.113 -3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.291 16.415 -2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.157 19.684 -1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.269 19.562 -6.109 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.613 21.027 -4.057 1.00 0.00 H new ATOM 417 N GLY A 25 -2.025 17.656 0.402 1.00 0.00 N ATOM 418 CA GLY A 25 -2.693 18.506 1.368 1.00 0.00 C ATOM 419 C GLY A 25 -4.141 18.123 1.582 1.00 0.00 C ATOM 420 O GLY A 25 -4.857 17.809 0.632 1.00 0.00 O ATOM 0 H GLY A 25 -2.376 16.699 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.163 18.453 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.642 19.541 1.031 1.00 0.00 H new ATOM 424 N GLY A 26 -4.573 18.152 2.837 1.00 0.00 N ATOM 425 CA GLY A 26 -5.942 17.806 3.158 1.00 0.00 C ATOM 426 C GLY A 26 -6.246 16.347 2.891 1.00 0.00 C ATOM 427 O GLY A 26 -6.413 15.942 1.741 1.00 0.00 O ATOM 0 H GLY A 26 -3.997 18.410 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.133 18.028 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.618 18.428 2.572 1.00 0.00 H new ATOM 431 N LYS A 27 -6.323 15.556 3.956 1.00 0.00 N ATOM 432 CA LYS A 27 -6.614 14.133 3.832 1.00 0.00 C ATOM 433 C LYS A 27 -7.886 13.909 3.015 1.00 0.00 C ATOM 434 O LYS A 27 -8.076 12.845 2.428 1.00 0.00 O ATOM 435 CB LYS A 27 -6.746 13.497 5.221 1.00 0.00 C ATOM 436 CG LYS A 27 -7.495 12.172 5.229 1.00 0.00 C ATOM 437 CD LYS A 27 -7.058 11.293 6.390 1.00 0.00 C ATOM 438 CE LYS A 27 -7.939 10.061 6.518 1.00 0.00 C ATOM 439 NZ LYS A 27 -7.787 9.406 7.846 1.00 0.00 N ATOM 0 H LYS A 27 -6.188 15.877 4.915 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.787 13.656 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.749 13.341 5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.259 14.196 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.567 12.359 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.321 11.648 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.022 10.987 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.096 11.866 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.981 10.343 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.686 9.350 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.404 8.570 7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.798 9.114 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.053 10.076 8.596 1.00 0.00 H new ATOM 453 N ASP A 28 -8.753 14.919 2.979 1.00 0.00 N ATOM 454 CA ASP A 28 -10.001 14.828 2.231 1.00 0.00 C ATOM 455 C ASP A 28 -9.743 14.363 0.801 1.00 0.00 C ATOM 456 O ASP A 28 -10.572 13.677 0.203 1.00 0.00 O ATOM 457 CB ASP A 28 -10.716 16.181 2.223 1.00 0.00 C ATOM 458 CG ASP A 28 -11.881 16.224 3.193 1.00 0.00 C ATOM 459 OD1 ASP A 28 -11.675 15.903 4.381 1.00 0.00 O ATOM 460 OD2 ASP A 28 -12.998 16.579 2.762 1.00 0.00 O ATOM 0 H ASP A 28 -8.613 15.808 3.459 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.639 14.094 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.005 16.966 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.077 16.393 1.216 1.00 0.00 H new ATOM 465 N ASN A 29 -8.586 14.733 0.259 1.00 0.00 N ATOM 466 CA ASN A 29 -8.224 14.342 -1.097 1.00 0.00 C ATOM 467 C ASN A 29 -7.564 12.969 -1.098 1.00 0.00 C ATOM 468 O ASN A 29 -7.923 12.101 -1.894 1.00 0.00 O ATOM 469 CB ASN A 29 -7.293 15.379 -1.724 1.00 0.00 C ATOM 470 CG ASN A 29 -7.910 16.764 -1.759 1.00 0.00 C ATOM 471 OD1 ASN A 29 -7.607 17.612 -0.920 1.00 0.00 O ATOM 472 ND2 ASN A 29 -8.781 16.999 -2.733 1.00 0.00 N ATOM 0 H ASN A 29 -7.886 15.301 0.737 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.135 14.290 -1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.361 15.414 -1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.041 15.071 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.229 17.912 -2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.002 16.266 -3.407 1.00 0.00 H new ATOM 479 N LEU A 30 -6.612 12.767 -0.190 1.00 0.00 N ATOM 480 CA LEU A 30 -5.930 11.481 -0.089 1.00 0.00 C ATOM 481 C LEU A 30 -6.939 10.390 0.223 1.00 0.00 C ATOM 482 O LEU A 30 -6.762 9.238 -0.166 1.00 0.00 O ATOM 483 CB LEU A 30 -4.860 11.517 1.004 1.00 0.00 C ATOM 484 CG LEU A 30 -3.769 10.438 0.908 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.304 9.102 1.391 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.227 10.306 -0.513 1.00 0.00 C ATOM 0 H LEU A 30 -6.298 13.470 0.480 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.445 11.272 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.380 12.495 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.353 11.424 1.972 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.944 10.747 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.520 8.348 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.624 9.192 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.152 8.805 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.458 9.534 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.038 10.033 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.797 11.257 -0.828 1.00 0.00 H new ATOM 498 N HIS A 31 -8.005 10.765 0.928 1.00 0.00 N ATOM 499 CA HIS A 31 -9.053 9.822 1.296 1.00 0.00 C ATOM 500 C HIS A 31 -9.443 8.959 0.104 1.00 0.00 C ATOM 501 O HIS A 31 -9.372 7.735 0.169 1.00 0.00 O ATOM 502 CB HIS A 31 -10.279 10.570 1.826 1.00 0.00 C ATOM 503 CG HIS A 31 -11.297 9.676 2.459 1.00 0.00 C ATOM 504 ND1 HIS A 31 -12.635 9.999 2.542 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.169 8.461 3.044 1.00 0.00 C ATOM 506 CE1 HIS A 31 -13.286 9.023 3.150 1.00 0.00 C ATOM 507 NE2 HIS A 31 -12.419 8.077 3.464 1.00 0.00 N ATOM 0 H HIS A 31 -8.163 11.718 1.255 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.668 9.173 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.955 11.312 2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.746 11.114 1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.254 7.899 3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.346 9.002 3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.642 7.203 3.941 1.00 0.00 H new ATOM 516 N ASP A 32 -9.841 9.605 -0.987 1.00 0.00 N ATOM 517 CA ASP A 32 -10.229 8.885 -2.194 1.00 0.00 C ATOM 518 C ASP A 32 -9.078 8.024 -2.704 1.00 0.00 C ATOM 519 O ASP A 32 -9.290 7.030 -3.399 1.00 0.00 O ATOM 520 CB ASP A 32 -10.674 9.869 -3.279 1.00 0.00 C ATOM 521 CG ASP A 32 -12.182 10.003 -3.353 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.844 9.032 -3.777 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.702 11.077 -2.986 1.00 0.00 O ATOM 0 H ASP A 32 -9.903 10.620 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.065 8.230 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.234 10.847 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.293 9.537 -4.245 1.00 0.00 H new ATOM 528 N VAL A 33 -7.861 8.411 -2.344 1.00 0.00 N ATOM 529 CA VAL A 33 -6.670 7.681 -2.750 1.00 0.00 C ATOM 530 C VAL A 33 -6.400 6.525 -1.794 1.00 0.00 C ATOM 531 O VAL A 33 -6.501 5.359 -2.178 1.00 0.00 O ATOM 532 CB VAL A 33 -5.456 8.629 -2.815 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.175 7.961 -2.346 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.281 9.147 -4.224 1.00 0.00 C ATOM 0 H VAL A 33 -7.674 9.232 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.838 7.269 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.656 9.459 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.350 8.670 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.292 7.634 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.962 7.098 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.421 9.816 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.119 8.309 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.177 9.690 -4.526 1.00 0.00 H new ATOM 544 N ASP A 34 -6.072 6.844 -0.544 1.00 0.00 N ATOM 545 CA ASP A 34 -5.811 5.810 0.444 1.00 0.00 C ATOM 546 C ASP A 34 -7.036 4.906 0.575 1.00 0.00 C ATOM 547 O ASP A 34 -6.915 3.744 0.958 1.00 0.00 O ATOM 548 CB ASP A 34 -5.408 6.422 1.794 1.00 0.00 C ATOM 549 CG ASP A 34 -5.672 5.498 2.971 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.981 4.464 3.080 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.568 5.811 3.781 1.00 0.00 O ATOM 0 H ASP A 34 -5.982 7.799 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.969 5.203 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.348 6.675 1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.955 7.353 1.941 1.00 0.00 H new ATOM 556 N ASN A 35 -8.215 5.426 0.207 1.00 0.00 N ATOM 557 CA ASN A 35 -9.429 4.617 0.245 1.00 0.00 C ATOM 558 C ASN A 35 -9.199 3.392 -0.620 1.00 0.00 C ATOM 559 O ASN A 35 -9.571 2.273 -0.265 1.00 0.00 O ATOM 560 CB ASN A 35 -10.640 5.400 -0.268 1.00 0.00 C ATOM 561 CG ASN A 35 -11.407 6.078 0.851 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.285 5.706 2.018 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.205 7.079 0.499 1.00 0.00 N ATOM 0 H ASN A 35 -8.348 6.385 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.642 4.331 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.307 6.152 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.306 4.724 -0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.747 7.573 1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.276 7.354 -0.481 1.00 0.00 H new ATOM 570 N HIS A 36 -8.525 3.623 -1.744 1.00 0.00 N ATOM 571 CA HIS A 36 -8.170 2.556 -2.657 1.00 0.00 C ATOM 572 C HIS A 36 -7.168 1.653 -1.958 1.00 0.00 C ATOM 573 O HIS A 36 -7.292 0.429 -1.970 1.00 0.00 O ATOM 574 CB HIS A 36 -7.562 3.137 -3.939 1.00 0.00 C ATOM 575 CG HIS A 36 -8.376 2.863 -5.165 1.00 0.00 C ATOM 576 ND1 HIS A 36 -9.176 1.749 -5.304 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.513 3.568 -6.313 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.769 1.779 -6.485 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.383 2.872 -7.116 1.00 0.00 N ATOM 0 H HIS A 36 -8.215 4.549 -2.040 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.057 1.986 -2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.449 4.215 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.563 2.724 -4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.029 4.503 -6.552 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.453 1.036 -6.868 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.682 3.154 -8.049 1.00 0.00 H new ATOM 588 N LEU A 37 -6.186 2.289 -1.322 1.00 0.00 N ATOM 589 CA LEU A 37 -5.159 1.568 -0.576 1.00 0.00 C ATOM 590 C LEU A 37 -5.789 0.678 0.491 1.00 0.00 C ATOM 591 O LEU A 37 -5.719 -0.545 0.414 1.00 0.00 O ATOM 592 CB LEU A 37 -4.206 2.558 0.093 1.00 0.00 C ATOM 593 CG LEU A 37 -2.837 2.002 0.502 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.873 0.490 0.682 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.785 2.392 -0.523 1.00 0.00 C ATOM 0 H LEU A 37 -6.081 3.303 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.607 0.943 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.048 3.395 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.694 2.957 0.982 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.574 2.439 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.884 0.134 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.593 0.233 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.168 0.019 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.817 1.991 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.058 1.986 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.724 3.478 -0.587 1.00 0.00 H new ATOM 607 N GLN A 38 -6.397 1.307 1.493 1.00 0.00 N ATOM 608 CA GLN A 38 -7.040 0.584 2.589 1.00 0.00 C ATOM 609 C GLN A 38 -7.872 -0.582 2.063 1.00 0.00 C ATOM 610 O GLN A 38 -7.856 -1.675 2.628 1.00 0.00 O ATOM 611 CB GLN A 38 -7.925 1.532 3.400 1.00 0.00 C ATOM 612 CG GLN A 38 -8.637 0.859 4.563 1.00 0.00 C ATOM 613 CD GLN A 38 -7.679 0.407 5.649 1.00 0.00 C ATOM 614 OE1 GLN A 38 -7.540 1.063 6.681 1.00 0.00 O ATOM 615 NE2 GLN A 38 -7.014 -0.720 5.421 1.00 0.00 N ATOM 0 H GLN A 38 -6.459 2.322 1.569 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.258 0.184 3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.312 2.348 3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.669 1.976 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.364 1.551 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.195 -0.002 4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.161 -1.232 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.357 -1.074 6.116 1.00 0.00 H new ATOM 624 N ASN A 39 -8.591 -0.340 0.972 1.00 0.00 N ATOM 625 CA ASN A 39 -9.419 -1.375 0.364 1.00 0.00 C ATOM 626 C ASN A 39 -8.552 -2.537 -0.107 1.00 0.00 C ATOM 627 O ASN A 39 -8.990 -3.687 -0.125 1.00 0.00 O ATOM 628 CB ASN A 39 -10.214 -0.802 -0.810 1.00 0.00 C ATOM 629 CG ASN A 39 -11.413 -1.659 -1.170 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.456 -1.590 -0.520 1.00 0.00 O ATOM 631 ND2 ASN A 39 -11.268 -2.473 -2.209 1.00 0.00 N ATOM 0 H ASN A 39 -8.617 0.560 0.492 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.120 -1.741 1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.552 0.204 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.561 -0.712 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.040 -3.074 -2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.385 -2.497 -2.719 1.00 0.00 H new ATOM 638 N VAL A 40 -7.313 -2.228 -0.474 1.00 0.00 N ATOM 639 CA VAL A 40 -6.375 -3.243 -0.928 1.00 0.00 C ATOM 640 C VAL A 40 -6.099 -4.244 0.188 1.00 0.00 C ATOM 641 O VAL A 40 -6.269 -5.448 0.011 1.00 0.00 O ATOM 642 CB VAL A 40 -5.044 -2.609 -1.389 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.029 -3.675 -1.777 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.285 -1.645 -2.542 1.00 0.00 C ATOM 0 H VAL A 40 -6.936 -1.280 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.828 -3.757 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.629 -2.049 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.103 -3.197 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.828 -4.316 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.427 -4.277 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.337 -1.207 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.730 -2.183 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.961 -0.853 -2.219 1.00 0.00 H new ATOM 654 N ILE A 41 -5.675 -3.729 1.340 1.00 0.00 N ATOM 655 CA ILE A 41 -5.367 -4.563 2.503 1.00 0.00 C ATOM 656 C ILE A 41 -6.408 -5.662 2.709 1.00 0.00 C ATOM 657 O ILE A 41 -6.061 -6.820 2.936 1.00 0.00 O ATOM 658 CB ILE A 41 -5.271 -3.719 3.790 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.393 -2.483 3.567 1.00 0.00 C ATOM 660 CG2 ILE A 41 -4.726 -4.558 4.934 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.056 -2.790 2.927 1.00 0.00 C ATOM 0 H ILE A 41 -5.536 -2.731 1.495 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.401 -5.026 2.299 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.274 -3.381 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.932 -1.775 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.222 -1.993 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.664 -3.948 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.390 -5.404 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.733 -4.925 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.492 -1.866 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.496 -3.473 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.216 -3.252 1.953 1.00 0.00 H new ATOM 673 N GLU A 42 -7.683 -5.297 2.627 1.00 0.00 N ATOM 674 CA GLU A 42 -8.762 -6.263 2.802 1.00 0.00 C ATOM 675 C GLU A 42 -8.783 -7.249 1.646 1.00 0.00 C ATOM 676 O GLU A 42 -9.163 -8.408 1.811 1.00 0.00 O ATOM 677 CB GLU A 42 -10.113 -5.546 2.934 1.00 0.00 C ATOM 678 CG GLU A 42 -10.628 -4.935 1.638 1.00 0.00 C ATOM 679 CD GLU A 42 -12.132 -5.067 1.491 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.588 -6.105 0.967 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.852 -4.132 1.900 1.00 0.00 O ATOM 0 H GLU A 42 -7.994 -4.343 2.441 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.583 -6.819 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.852 -6.255 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.021 -4.758 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.354 -3.881 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.140 -5.419 0.792 1.00 0.00 H new ATOM 688 N ASP A 43 -8.349 -6.787 0.483 1.00 0.00 N ATOM 689 CA ASP A 43 -8.295 -7.635 -0.693 1.00 0.00 C ATOM 690 C ASP A 43 -7.035 -8.488 -0.661 1.00 0.00 C ATOM 691 O ASP A 43 -6.990 -9.565 -1.247 1.00 0.00 O ATOM 692 CB ASP A 43 -8.331 -6.792 -1.968 1.00 0.00 C ATOM 693 CG ASP A 43 -9.738 -6.615 -2.504 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.232 -7.534 -3.190 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.347 -5.557 -2.236 1.00 0.00 O ATOM 0 H ASP A 43 -8.030 -5.830 0.331 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.167 -8.289 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.896 -5.813 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.711 -7.264 -2.730 1.00 0.00 H new ATOM 700 N ILE A 44 -6.012 -8.005 0.040 1.00 0.00 N ATOM 701 CA ILE A 44 -4.760 -8.740 0.159 1.00 0.00 C ATOM 702 C ILE A 44 -4.817 -9.715 1.332 1.00 0.00 C ATOM 703 O ILE A 44 -4.298 -10.827 1.254 1.00 0.00 O ATOM 704 CB ILE A 44 -3.550 -7.795 0.338 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.612 -6.630 -0.651 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.250 -8.555 0.157 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.940 -7.050 -2.069 1.00 0.00 C ATOM 0 H ILE A 44 -6.027 -7.111 0.532 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.628 -9.293 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.589 -7.392 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.362 -5.916 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.653 -6.111 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.409 -7.874 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.188 -9.352 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.217 -8.986 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.966 -6.170 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.177 -7.740 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.913 -7.542 -2.087 1.00 0.00 H new ATOM 719 N HIS A 45 -5.450 -9.286 2.422 1.00 0.00 N ATOM 720 CA HIS A 45 -5.573 -10.116 3.619 1.00 0.00 C ATOM 721 C HIS A 45 -6.658 -11.171 3.461 1.00 0.00 C ATOM 722 O HIS A 45 -6.476 -12.323 3.854 1.00 0.00 O ATOM 723 CB HIS A 45 -5.868 -9.246 4.839 1.00 0.00 C ATOM 724 CG HIS A 45 -4.784 -8.261 5.121 1.00 0.00 C ATOM 725 ND1 HIS A 45 -4.536 -7.743 6.373 1.00 0.00 N ATOM 726 CD2 HIS A 45 -3.872 -7.705 4.296 1.00 0.00 C ATOM 727 CE1 HIS A 45 -3.516 -6.908 6.305 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.093 -6.866 5.053 1.00 0.00 N ATOM 0 H HIS A 45 -5.886 -8.367 2.501 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.622 -10.630 3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.805 -8.713 4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.008 -9.885 5.711 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.058 -7.969 7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.773 -7.887 3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.098 -6.353 7.132 1.00 0.00 H new ATOM 737 N ASP A 46 -7.785 -10.778 2.889 1.00 0.00 N ATOM 738 CA ASP A 46 -8.886 -11.706 2.688 1.00 0.00 C ATOM 739 C ASP A 46 -8.551 -12.698 1.584 1.00 0.00 C ATOM 740 O ASP A 46 -9.059 -13.819 1.568 1.00 0.00 O ATOM 741 CB ASP A 46 -10.168 -10.946 2.340 1.00 0.00 C ATOM 742 CG ASP A 46 -11.415 -11.762 2.619 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.392 -12.581 3.562 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.416 -11.582 1.893 1.00 0.00 O ATOM 0 H ASP A 46 -7.961 -9.829 2.558 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.045 -12.256 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.206 -10.020 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.147 -10.667 1.287 1.00 0.00 H new ATOM 749 N PHE A 47 -7.700 -12.276 0.653 1.00 0.00 N ATOM 750 CA PHE A 47 -7.310 -13.137 -0.462 1.00 0.00 C ATOM 751 C PHE A 47 -6.094 -14.005 -0.127 1.00 0.00 C ATOM 752 O PHE A 47 -6.082 -15.200 -0.420 1.00 0.00 O ATOM 753 CB PHE A 47 -7.038 -12.306 -1.714 1.00 0.00 C ATOM 754 CG PHE A 47 -8.288 -11.759 -2.351 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.200 -11.025 -1.609 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.550 -11.984 -3.693 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.349 -10.526 -2.194 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.697 -11.488 -4.282 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.598 -10.757 -3.532 1.00 0.00 C ATOM 0 H PHE A 47 -7.270 -11.351 0.647 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.147 -13.809 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.378 -11.478 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.507 -12.921 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.011 -10.841 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.849 -12.554 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.051 -9.956 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.889 -11.672 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.495 -10.367 -3.991 1.00 0.00 H new ATOM 769 N MET A 48 -5.067 -13.402 0.475 1.00 0.00 N ATOM 770 CA MET A 48 -3.848 -14.135 0.832 1.00 0.00 C ATOM 771 C MET A 48 -4.174 -15.459 1.521 1.00 0.00 C ATOM 772 O MET A 48 -3.505 -16.468 1.297 1.00 0.00 O ATOM 773 CB MET A 48 -2.954 -13.288 1.739 1.00 0.00 C ATOM 774 CG MET A 48 -3.542 -13.034 3.117 1.00 0.00 C ATOM 775 SD MET A 48 -2.479 -12.004 4.148 1.00 0.00 S ATOM 776 CE MET A 48 -0.862 -12.607 3.676 1.00 0.00 C ATOM 0 H MET A 48 -5.053 -12.413 0.725 1.00 0.00 H new ATOM 0 HA MET A 48 -3.316 -14.351 -0.094 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.991 -13.786 1.852 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.763 -12.331 1.254 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.514 -12.553 3.010 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.712 -13.988 3.616 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.148 -12.393 4.471 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.909 -13.683 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.543 -12.113 2.759 1.00 0.00 H new ATOM 786 N GLN A 49 -5.203 -15.447 2.361 1.00 0.00 N ATOM 787 CA GLN A 49 -5.613 -16.646 3.086 1.00 0.00 C ATOM 788 C GLN A 49 -6.107 -17.731 2.130 1.00 0.00 C ATOM 789 O GLN A 49 -6.123 -18.912 2.474 1.00 0.00 O ATOM 790 CB GLN A 49 -6.707 -16.304 4.101 1.00 0.00 C ATOM 791 CG GLN A 49 -6.381 -16.748 5.518 1.00 0.00 C ATOM 792 CD GLN A 49 -6.031 -18.221 5.600 1.00 0.00 C ATOM 793 OE1 GLN A 49 -6.633 -19.053 4.922 1.00 0.00 O ATOM 794 NE2 GLN A 49 -5.051 -18.551 6.434 1.00 0.00 N ATOM 0 H GLN A 49 -5.769 -14.621 2.557 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.741 -17.031 3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.872 -15.227 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.641 -16.772 3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.546 -16.158 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.235 -16.544 6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.579 -17.828 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.771 -19.527 6.531 1.00 0.00 H new ATOM 803 N GLY A 50 -6.506 -17.323 0.930 1.00 0.00 N ATOM 804 CA GLY A 50 -6.990 -18.274 -0.053 1.00 0.00 C ATOM 805 C GLY A 50 -8.283 -17.833 -0.717 1.00 0.00 C ATOM 806 O GLY A 50 -9.050 -18.663 -1.206 1.00 0.00 O ATOM 0 H GLY A 50 -6.503 -16.351 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.226 -18.419 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.146 -19.239 0.429 1.00 0.00 H new ATOM 810 N GLY A 51 -8.525 -16.525 -0.740 1.00 0.00 N ATOM 811 CA GLY A 51 -9.733 -16.008 -1.355 1.00 0.00 C ATOM 812 C GLY A 51 -9.470 -15.426 -2.730 1.00 0.00 C ATOM 813 O GLY A 51 -10.091 -14.439 -3.124 1.00 0.00 O ATOM 0 H GLY A 51 -7.907 -15.816 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.469 -16.808 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.166 -15.240 -0.714 1.00 0.00 H new ATOM 817 N GLY A 52 -8.543 -16.039 -3.460 1.00 0.00 N ATOM 818 CA GLY A 52 -8.210 -15.563 -4.789 1.00 0.00 C ATOM 819 C GLY A 52 -6.893 -14.813 -4.816 1.00 0.00 C ATOM 820 O GLY A 52 -6.718 -13.877 -5.596 1.00 0.00 O ATOM 0 H GLY A 52 -8.017 -16.857 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.158 -16.410 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.005 -14.910 -5.149 1.00 0.00 H new ATOM 824 N SER A 53 -5.965 -15.225 -3.958 1.00 0.00 N ATOM 825 CA SER A 53 -4.657 -14.585 -3.880 1.00 0.00 C ATOM 826 C SER A 53 -3.924 -14.668 -5.216 1.00 0.00 C ATOM 827 O SER A 53 -3.030 -13.868 -5.493 1.00 0.00 O ATOM 828 CB SER A 53 -3.816 -15.237 -2.779 1.00 0.00 C ATOM 829 OG SER A 53 -3.582 -16.607 -3.058 1.00 0.00 O ATOM 0 H SER A 53 -6.095 -15.999 -3.307 1.00 0.00 H new ATOM 0 HA SER A 53 -4.809 -13.533 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.864 -14.714 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.327 -15.140 -1.821 1.00 0.00 H new ATOM 0 HG SER A 53 -3.042 -16.999 -2.341 1.00 0.00 H new ATOM 835 N GLY A 54 -4.306 -15.636 -6.044 1.00 0.00 N ATOM 836 CA GLY A 54 -3.672 -15.796 -7.339 1.00 0.00 C ATOM 837 C GLY A 54 -4.392 -15.036 -8.436 1.00 0.00 C ATOM 838 O GLY A 54 -5.092 -15.630 -9.257 1.00 0.00 O ATOM 0 H GLY A 54 -5.043 -16.312 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.640 -15.451 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.640 -16.855 -7.596 1.00 0.00 H new ATOM 842 N GLY A 55 -4.219 -13.719 -8.449 1.00 0.00 N ATOM 843 CA GLY A 55 -4.863 -12.894 -9.455 1.00 0.00 C ATOM 844 C GLY A 55 -5.276 -11.536 -8.919 1.00 0.00 C ATOM 845 O GLY A 55 -5.541 -10.612 -9.689 1.00 0.00 O ATOM 0 H GLY A 55 -3.644 -13.207 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.184 -12.757 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.743 -13.413 -9.836 1.00 0.00 H new ATOM 849 N LYS A 56 -5.332 -11.412 -7.597 1.00 0.00 N ATOM 850 CA LYS A 56 -5.713 -10.156 -6.963 1.00 0.00 C ATOM 851 C LYS A 56 -4.499 -9.267 -6.747 1.00 0.00 C ATOM 852 O LYS A 56 -4.567 -8.055 -6.931 1.00 0.00 O ATOM 853 CB LYS A 56 -6.402 -10.423 -5.623 1.00 0.00 C ATOM 854 CG LYS A 56 -5.510 -11.126 -4.609 1.00 0.00 C ATOM 855 CD LYS A 56 -4.818 -10.133 -3.687 1.00 0.00 C ATOM 856 CE LYS A 56 -3.950 -10.835 -2.652 1.00 0.00 C ATOM 857 NZ LYS A 56 -2.996 -11.800 -3.271 1.00 0.00 N ATOM 0 H LYS A 56 -5.118 -12.166 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.408 -9.642 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.740 -9.476 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.291 -11.030 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.108 -11.818 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.761 -11.720 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.202 -9.455 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.567 -9.524 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.392 -10.090 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.589 -11.363 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.169 -12.752 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.132 -11.809 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.021 -11.512 -3.053 1.00 0.00 H new ATOM 871 N LEU A 57 -3.390 -9.875 -6.351 1.00 0.00 N ATOM 872 CA LEU A 57 -2.165 -9.130 -6.098 1.00 0.00 C ATOM 873 C LEU A 57 -1.604 -8.507 -7.371 1.00 0.00 C ATOM 874 O LEU A 57 -0.676 -7.712 -7.309 1.00 0.00 O ATOM 875 CB LEU A 57 -1.116 -10.034 -5.457 1.00 0.00 C ATOM 876 CG LEU A 57 -0.124 -9.320 -4.542 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.794 -8.919 -3.236 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.084 -10.207 -4.277 1.00 0.00 C ATOM 0 H LEU A 57 -3.313 -10.881 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.414 -8.320 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.626 -10.807 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.560 -10.539 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 57 0.217 -8.413 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.071 -8.412 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.627 -8.248 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.164 -9.810 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.783 -9.685 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.759 -11.130 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.577 -10.442 -5.220 1.00 0.00 H new ATOM 890 N GLN A 58 -2.154 -8.862 -8.525 1.00 0.00 N ATOM 891 CA GLN A 58 -1.667 -8.298 -9.775 1.00 0.00 C ATOM 892 C GLN A 58 -2.356 -6.972 -10.072 1.00 0.00 C ATOM 893 O GLN A 58 -1.698 -5.970 -10.350 1.00 0.00 O ATOM 894 CB GLN A 58 -1.858 -9.280 -10.937 1.00 0.00 C ATOM 895 CG GLN A 58 -3.243 -9.901 -11.003 1.00 0.00 C ATOM 896 CD GLN A 58 -3.437 -10.756 -12.240 1.00 0.00 C ATOM 897 OE1 GLN A 58 -3.317 -11.980 -12.189 1.00 0.00 O ATOM 898 NE2 GLN A 58 -3.740 -10.112 -13.362 1.00 0.00 N ATOM 0 H GLN A 58 -2.923 -9.525 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.598 -8.113 -9.665 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.660 -8.760 -11.874 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.118 -10.076 -10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.407 -10.511 -10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.993 -9.110 -10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.830 -9.096 -13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.883 -10.634 -14.227 1.00 0.00 H new ATOM 907 N GLU A 59 -3.680 -6.968 -9.997 1.00 0.00 N ATOM 908 CA GLU A 59 -4.449 -5.758 -10.244 1.00 0.00 C ATOM 909 C GLU A 59 -4.596 -4.950 -8.963 1.00 0.00 C ATOM 910 O GLU A 59 -4.681 -3.723 -8.996 1.00 0.00 O ATOM 911 CB GLU A 59 -5.829 -6.105 -10.809 1.00 0.00 C ATOM 912 CG GLU A 59 -5.810 -6.463 -12.286 1.00 0.00 C ATOM 913 CD GLU A 59 -6.894 -7.455 -12.658 1.00 0.00 C ATOM 914 OE1 GLU A 59 -7.363 -8.187 -11.761 1.00 0.00 O ATOM 915 OE2 GLU A 59 -7.275 -7.500 -13.847 1.00 0.00 O ATOM 0 H GLU A 59 -4.242 -7.788 -9.768 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.913 -5.156 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.243 -6.942 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.498 -5.258 -10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.934 -5.556 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.836 -6.881 -12.543 1.00 0.00 H new ATOM 922 N MET A 60 -4.624 -5.649 -7.832 1.00 0.00 N ATOM 923 CA MET A 60 -4.758 -4.993 -6.540 1.00 0.00 C ATOM 924 C MET A 60 -3.436 -4.389 -6.091 1.00 0.00 C ATOM 925 O MET A 60 -3.420 -3.350 -5.431 1.00 0.00 O ATOM 926 CB MET A 60 -5.266 -5.968 -5.480 1.00 0.00 C ATOM 927 CG MET A 60 -5.755 -5.280 -4.215 1.00 0.00 C ATOM 928 SD MET A 60 -7.425 -4.615 -4.377 1.00 0.00 S ATOM 929 CE MET A 60 -8.293 -6.015 -5.081 1.00 0.00 C ATOM 0 H MET A 60 -4.556 -6.666 -7.786 1.00 0.00 H new ATOM 0 HA MET A 60 -5.486 -4.191 -6.658 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.079 -6.560 -5.901 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.466 -6.662 -5.222 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.731 -5.990 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.071 -4.471 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.353 -5.946 -4.837 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.169 -6.013 -6.164 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.886 -6.939 -4.671 1.00 0.00 H new ATOM 939 N MET A 61 -2.319 -5.030 -6.446 1.00 0.00 N ATOM 940 CA MET A 61 -1.014 -4.505 -6.052 1.00 0.00 C ATOM 941 C MET A 61 -0.863 -3.072 -6.545 1.00 0.00 C ATOM 942 O MET A 61 -0.379 -2.202 -5.820 1.00 0.00 O ATOM 943 CB MET A 61 0.124 -5.376 -6.593 1.00 0.00 C ATOM 944 CG MET A 61 1.502 -4.736 -6.488 1.00 0.00 C ATOM 945 SD MET A 61 2.246 -4.413 -8.099 1.00 0.00 S ATOM 946 CE MET A 61 2.836 -6.048 -8.531 1.00 0.00 C ATOM 0 H MET A 61 -2.292 -5.891 -6.992 1.00 0.00 H new ATOM 0 HA MET A 61 -0.955 -4.520 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.132 -6.322 -6.051 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.077 -5.610 -7.638 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.422 -3.800 -5.935 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.159 -5.390 -5.914 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.323 -6.013 -9.506 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.550 -6.387 -7.781 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.995 -6.740 -8.570 1.00 0.00 H new ATOM 956 N LYS A 62 -1.302 -2.828 -7.775 1.00 0.00 N ATOM 957 CA LYS A 62 -1.237 -1.494 -8.352 1.00 0.00 C ATOM 958 C LYS A 62 -2.200 -0.565 -7.622 1.00 0.00 C ATOM 959 O LYS A 62 -1.994 0.647 -7.571 1.00 0.00 O ATOM 960 CB LYS A 62 -1.574 -1.540 -9.844 1.00 0.00 C ATOM 961 CG LYS A 62 -0.368 -1.336 -10.747 1.00 0.00 C ATOM 962 CD LYS A 62 0.732 -2.340 -10.442 1.00 0.00 C ATOM 963 CE LYS A 62 1.918 -2.169 -11.379 1.00 0.00 C ATOM 964 NZ LYS A 62 2.427 -3.478 -11.873 1.00 0.00 N ATOM 0 H LYS A 62 -1.705 -3.536 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.222 -1.112 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.032 -2.502 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.316 -0.773 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.672 -1.433 -11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.016 -0.324 -10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.062 -2.218 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.338 -3.352 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.625 -1.550 -12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.718 -1.641 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.235 -3.319 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.731 -4.059 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.672 -3.971 -12.390 1.00 0.00 H new ATOM 978 N GLU A 63 -3.252 -1.149 -7.054 1.00 0.00 N ATOM 979 CA GLU A 63 -4.254 -0.387 -6.322 1.00 0.00 C ATOM 980 C GLU A 63 -3.655 0.244 -5.069 1.00 0.00 C ATOM 981 O GLU A 63 -4.043 1.343 -4.673 1.00 0.00 O ATOM 982 CB GLU A 63 -5.429 -1.289 -5.940 1.00 0.00 C ATOM 983 CG GLU A 63 -6.684 -0.522 -5.553 1.00 0.00 C ATOM 984 CD GLU A 63 -7.653 -0.369 -6.709 1.00 0.00 C ATOM 985 OE1 GLU A 63 -7.259 0.216 -7.740 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.805 -0.833 -6.581 1.00 0.00 O ATOM 0 H GLU A 63 -3.431 -2.153 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.611 0.412 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.659 -1.947 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.131 -1.926 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.182 -1.038 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.403 0.465 -5.186 1.00 0.00 H new ATOM 993 N PHE A 64 -2.709 -0.455 -4.447 1.00 0.00 N ATOM 994 CA PHE A 64 -2.066 0.046 -3.243 1.00 0.00 C ATOM 995 C PHE A 64 -0.868 0.924 -3.599 1.00 0.00 C ATOM 996 O PHE A 64 -0.495 1.820 -2.842 1.00 0.00 O ATOM 997 CB PHE A 64 -1.675 -1.127 -2.327 1.00 0.00 C ATOM 998 CG PHE A 64 -0.348 -1.763 -2.624 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.838 -1.109 -2.338 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.295 -3.033 -3.169 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.053 -1.713 -2.596 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.915 -3.640 -3.432 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.090 -2.980 -3.144 1.00 0.00 C ATOM 0 H PHE A 64 -2.374 -1.367 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.769 0.673 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.666 -0.773 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.448 -1.892 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.813 -0.118 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.213 -3.556 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.973 -1.195 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.942 -4.630 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.039 -3.453 -3.347 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.281 0.672 -4.765 1.00 0.00 N ATOM 1014 CA GLN A 65 0.860 1.449 -5.232 1.00 0.00 C ATOM 1015 C GLN A 65 0.399 2.748 -5.893 1.00 0.00 C ATOM 1016 O GLN A 65 1.086 3.767 -5.827 1.00 0.00 O ATOM 1017 CB GLN A 65 1.691 0.629 -6.220 1.00 0.00 C ATOM 1018 CG GLN A 65 3.125 1.114 -6.358 1.00 0.00 C ATOM 1019 CD GLN A 65 3.762 0.687 -7.665 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.856 -0.504 -7.963 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.205 1.659 -8.454 1.00 0.00 N ATOM 0 H GLN A 65 -0.578 -0.066 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 65 1.476 1.699 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.698 -0.413 -5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.211 0.658 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.145 2.201 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.716 0.729 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.107 2.633 -8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.644 1.432 -9.346 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.770 2.701 -6.535 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.322 3.874 -7.213 1.00 0.00 C ATOM 1032 C GLN A 66 -1.486 5.042 -6.248 1.00 0.00 C ATOM 1033 O GLN A 66 -1.223 6.192 -6.601 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.668 3.535 -7.855 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.148 4.584 -8.846 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.472 5.205 -8.444 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.392 4.511 -8.013 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -4.573 6.522 -8.585 1.00 0.00 N ATOM 0 H GLN A 66 -1.351 1.865 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.619 4.170 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.587 2.575 -8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.416 3.418 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.395 5.367 -8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.249 4.128 -9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.784 7.058 -8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.439 6.997 -8.332 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.913 4.743 -5.026 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.103 5.768 -4.003 1.00 0.00 C ATOM 1049 C VAL A 67 -0.861 6.651 -3.890 1.00 0.00 C ATOM 1050 O VAL A 67 -0.958 7.876 -3.824 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.409 5.108 -2.638 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.163 6.062 -1.472 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.839 4.584 -2.622 1.00 0.00 C ATOM 0 H VAL A 67 -2.135 3.796 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.948 6.392 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.723 4.271 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.391 5.556 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.119 6.374 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.804 6.938 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.046 4.121 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.531 5.410 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.965 3.845 -3.414 1.00 0.00 H new ATOM 1063 N LEU A 68 0.302 6.016 -3.880 1.00 0.00 N ATOM 1064 CA LEU A 68 1.566 6.733 -3.787 1.00 0.00 C ATOM 1065 C LEU A 68 1.811 7.578 -5.036 1.00 0.00 C ATOM 1066 O LEU A 68 2.671 8.455 -5.038 1.00 0.00 O ATOM 1067 CB LEU A 68 2.701 5.745 -3.568 1.00 0.00 C ATOM 1068 CG LEU A 68 3.024 5.497 -2.096 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.371 4.210 -1.605 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.530 5.454 -1.882 1.00 0.00 C ATOM 0 H LEU A 68 0.397 5.002 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 68 1.521 7.413 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.441 4.797 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.595 6.115 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 68 2.617 6.323 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.616 4.056 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.289 4.285 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.740 3.368 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.743 5.277 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.960 4.650 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.968 6.405 -2.185 1.00 0.00 H new ATOM 1082 N ASP A 69 1.037 7.328 -6.093 1.00 0.00 N ATOM 1083 CA ASP A 69 1.166 8.094 -7.328 1.00 0.00 C ATOM 1084 C ASP A 69 0.713 9.528 -7.087 1.00 0.00 C ATOM 1085 O ASP A 69 1.486 10.472 -7.249 1.00 0.00 O ATOM 1086 CB ASP A 69 0.336 7.458 -8.445 1.00 0.00 C ATOM 1087 CG ASP A 69 0.869 7.796 -9.824 1.00 0.00 C ATOM 1088 OD1 ASP A 69 0.918 8.997 -10.164 1.00 0.00 O ATOM 1089 OD2 ASP A 69 1.236 6.860 -10.564 1.00 0.00 O ATOM 0 H ASP A 69 0.318 6.604 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 69 2.211 8.093 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.328 6.376 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.697 7.797 -8.364 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.540 9.679 -6.659 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.096 10.994 -6.347 1.00 0.00 C ATOM 1096 C GLU A 70 -0.180 11.713 -5.373 1.00 0.00 C ATOM 1097 O GLU A 70 0.009 12.927 -5.431 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.475 10.833 -5.695 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.419 11.992 -5.941 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.408 11.713 -7.056 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.729 10.528 -7.283 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.863 12.681 -7.701 1.00 0.00 O ATOM 0 H GLU A 70 -1.190 8.905 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.188 11.568 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.936 9.918 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.344 10.708 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.965 12.212 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.839 12.881 -6.189 1.00 0.00 H new ATOM 1109 N LEU A 71 0.360 10.917 -4.467 1.00 0.00 N ATOM 1110 CA LEU A 71 1.246 11.377 -3.418 1.00 0.00 C ATOM 1111 C LEU A 71 2.626 11.770 -3.946 1.00 0.00 C ATOM 1112 O LEU A 71 2.990 12.944 -3.937 1.00 0.00 O ATOM 1113 CB LEU A 71 1.346 10.249 -2.399 1.00 0.00 C ATOM 1114 CG LEU A 71 2.514 10.306 -1.425 1.00 0.00 C ATOM 1115 CD1 LEU A 71 2.042 10.775 -0.062 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.152 8.936 -1.320 1.00 0.00 C ATOM 0 H LEU A 71 0.190 9.912 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 71 0.843 12.283 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.422 10.231 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.402 9.305 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 71 3.253 11.017 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.889 10.811 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.605 11.770 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.293 10.082 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.989 8.977 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.415 8.218 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.512 8.626 -2.301 1.00 0.00 H new ATOM 1128 N ASN A 72 3.395 10.780 -4.382 1.00 0.00 N ATOM 1129 CA ASN A 72 4.743 11.022 -4.894 1.00 0.00 C ATOM 1130 C ASN A 72 4.758 12.133 -5.939 1.00 0.00 C ATOM 1131 O ASN A 72 5.771 12.808 -6.123 1.00 0.00 O ATOM 1132 CB ASN A 72 5.328 9.740 -5.488 1.00 0.00 C ATOM 1133 CG ASN A 72 6.813 9.600 -5.215 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.272 8.567 -4.729 1.00 0.00 O ATOM 1135 ND2 ASN A 72 7.574 10.643 -5.529 1.00 0.00 N ATOM 0 H ASN A 72 3.110 9.801 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 72 5.358 11.342 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.803 8.879 -5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.157 9.731 -6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.581 10.606 -5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.151 11.480 -5.930 1.00 0.00 H new ATOM 1142 N ASN A 73 3.635 12.322 -6.618 1.00 0.00 N ATOM 1143 CA ASN A 73 3.535 13.357 -7.639 1.00 0.00 C ATOM 1144 C ASN A 73 3.035 14.673 -7.046 1.00 0.00 C ATOM 1145 O ASN A 73 2.668 15.590 -7.780 1.00 0.00 O ATOM 1146 CB ASN A 73 2.600 12.904 -8.764 1.00 0.00 C ATOM 1147 CG ASN A 73 3.277 11.947 -9.725 1.00 0.00 C ATOM 1148 OD1 ASN A 73 3.420 12.239 -10.913 1.00 0.00 O ATOM 1149 ND2 ASN A 73 3.697 10.795 -9.216 1.00 0.00 N ATOM 0 H ASN A 73 2.784 11.776 -6.482 1.00 0.00 H new ATOM 0 HA ASN A 73 4.533 13.523 -8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.723 12.422 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.246 13.777 -9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.159 10.111 -9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.558 10.594 -8.226 1.00 0.00 H new ATOM 1156 N HIS A 74 3.018 14.762 -5.717 1.00 0.00 N ATOM 1157 CA HIS A 74 2.555 15.971 -5.046 1.00 0.00 C ATOM 1158 C HIS A 74 3.131 16.100 -3.645 1.00 0.00 C ATOM 1159 O HIS A 74 2.509 16.705 -2.776 1.00 0.00 O ATOM 1160 CB HIS A 74 1.027 15.990 -4.991 1.00 0.00 C ATOM 1161 CG HIS A 74 0.387 16.312 -6.306 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.474 17.553 -6.902 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.354 15.546 -7.142 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.186 17.538 -8.047 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.696 16.332 -8.216 1.00 0.00 N ATOM 0 H HIS A 74 3.318 14.016 -5.089 1.00 0.00 H new ATOM 0 HA HIS A 74 2.908 16.824 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.671 15.017 -4.651 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.707 16.723 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.625 14.511 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.290 18.370 -8.728 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.254 16.032 -9.015 1.00 0.00 H new ATOM 1174 N LEU A 75 4.337 15.566 -3.435 1.00 0.00 N ATOM 1175 CA LEU A 75 4.998 15.676 -2.136 1.00 0.00 C ATOM 1176 C LEU A 75 4.985 17.134 -1.701 1.00 0.00 C ATOM 1177 O LEU A 75 5.926 17.883 -1.968 1.00 0.00 O ATOM 1178 CB LEU A 75 6.440 15.184 -2.223 1.00 0.00 C ATOM 1179 CG LEU A 75 6.748 13.911 -1.439 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.098 13.947 -0.065 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.296 12.685 -2.216 1.00 0.00 C ATOM 0 H LEU A 75 4.870 15.058 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 75 4.466 15.060 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.684 15.012 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.098 15.977 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 75 7.827 13.851 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.333 13.029 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.477 14.802 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.017 14.036 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.523 11.786 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.222 12.741 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.818 12.647 -3.172 1.00 0.00 H new ATOM 1193 N GLN A 76 3.897 17.537 -1.078 1.00 0.00 N ATOM 1194 CA GLN A 76 3.732 18.916 -0.654 1.00 0.00 C ATOM 1195 C GLN A 76 4.448 19.194 0.666 1.00 0.00 C ATOM 1196 O GLN A 76 5.002 20.275 0.867 1.00 0.00 O ATOM 1197 CB GLN A 76 2.246 19.253 -0.517 1.00 0.00 C ATOM 1198 CG GLN A 76 1.679 19.998 -1.715 1.00 0.00 C ATOM 1199 CD GLN A 76 1.405 21.459 -1.417 1.00 0.00 C ATOM 1200 OE1 GLN A 76 0.264 21.916 -1.492 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.453 22.201 -1.077 1.00 0.00 N ATOM 0 H GLN A 76 3.110 16.929 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 76 4.182 19.549 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.684 18.330 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.100 19.857 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.379 19.926 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.754 19.516 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.381 21.781 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.330 23.191 -0.866 1.00 0.00 H new ATOM 1210 N GLY A 77 4.416 18.219 1.568 1.00 0.00 N ATOM 1211 CA GLY A 77 5.048 18.385 2.864 1.00 0.00 C ATOM 1212 C GLY A 77 6.539 18.118 2.839 1.00 0.00 C ATOM 1213 O GLY A 77 7.342 19.025 3.062 1.00 0.00 O ATOM 0 H GLY A 77 3.963 17.316 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.873 19.401 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.577 17.712 3.580 1.00 0.00 H new ATOM 1217 N GLY A 78 6.912 16.872 2.577 1.00 0.00 N ATOM 1218 CA GLY A 78 8.313 16.511 2.538 1.00 0.00 C ATOM 1219 C GLY A 78 8.517 15.050 2.202 1.00 0.00 C ATOM 1220 O GLY A 78 8.042 14.168 2.917 1.00 0.00 O ATOM 0 H GLY A 78 6.267 16.104 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.825 17.127 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.769 16.727 3.504 1.00 0.00 H new ATOM 1224 N LYS A 79 9.222 14.799 1.104 1.00 0.00 N ATOM 1225 CA LYS A 79 9.497 13.438 0.646 1.00 0.00 C ATOM 1226 C LYS A 79 9.819 12.498 1.804 1.00 0.00 C ATOM 1227 O LYS A 79 9.529 11.307 1.734 1.00 0.00 O ATOM 1228 CB LYS A 79 10.656 13.443 -0.353 1.00 0.00 C ATOM 1229 CG LYS A 79 11.978 13.893 0.247 1.00 0.00 C ATOM 1230 CD LYS A 79 12.470 15.185 -0.388 1.00 0.00 C ATOM 1231 CE LYS A 79 12.080 16.398 0.441 1.00 0.00 C ATOM 1232 NZ LYS A 79 13.259 17.019 1.106 1.00 0.00 N ATOM 0 H LYS A 79 9.617 15.527 0.508 1.00 0.00 H new ATOM 0 HA LYS A 79 8.593 13.070 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.776 12.440 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.403 14.099 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.861 14.036 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.725 13.112 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.554 15.149 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.054 15.280 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.595 17.135 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.351 16.103 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.951 17.843 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.708 16.324 1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.943 17.324 0.385 1.00 0.00 H new ATOM 1246 N HIS A 80 10.415 13.034 2.868 1.00 0.00 N ATOM 1247 CA HIS A 80 10.769 12.227 4.035 1.00 0.00 C ATOM 1248 C HIS A 80 9.627 11.294 4.430 1.00 0.00 C ATOM 1249 O HIS A 80 9.856 10.169 4.875 1.00 0.00 O ATOM 1250 CB HIS A 80 11.145 13.130 5.212 1.00 0.00 C ATOM 1251 CG HIS A 80 12.615 13.164 5.494 1.00 0.00 C ATOM 1252 ND1 HIS A 80 13.564 13.368 4.516 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.298 13.018 6.655 1.00 0.00 C ATOM 1254 CE1 HIS A 80 14.768 13.345 5.061 1.00 0.00 C ATOM 1255 NE2 HIS A 80 14.634 13.134 6.357 1.00 0.00 N ATOM 0 H HIS A 80 10.662 14.020 2.946 1.00 0.00 H new ATOM 0 HA HIS A 80 11.630 11.613 3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.799 14.143 5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.620 12.788 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.872 12.843 7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.702 13.476 4.535 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.399 13.068 7.029 1.00 0.00 H new ATOM 1264 N THR A 81 8.398 11.761 4.245 1.00 0.00 N ATOM 1265 CA THR A 81 7.222 10.963 4.562 1.00 0.00 C ATOM 1266 C THR A 81 7.119 9.802 3.588 1.00 0.00 C ATOM 1267 O THR A 81 7.387 8.654 3.940 1.00 0.00 O ATOM 1268 CB THR A 81 5.964 11.837 4.491 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.804 12.578 5.687 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.676 11.066 4.254 1.00 0.00 C ATOM 0 H THR A 81 8.191 12.689 3.877 1.00 0.00 H new ATOM 0 HA THR A 81 7.312 10.568 5.574 1.00 0.00 H new ATOM 0 HB THR A 81 6.128 12.486 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.034 12.233 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.837 11.761 4.218 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.743 10.528 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.523 10.355 5.066 1.00 0.00 H new ATOM 1278 N VAL A 82 6.738 10.119 2.359 1.00 0.00 N ATOM 1279 CA VAL A 82 6.601 9.116 1.315 1.00 0.00 C ATOM 1280 C VAL A 82 7.843 8.247 1.223 1.00 0.00 C ATOM 1281 O VAL A 82 7.740 7.047 1.022 1.00 0.00 O ATOM 1282 CB VAL A 82 6.350 9.762 -0.056 1.00 0.00 C ATOM 1283 CG1 VAL A 82 6.040 8.698 -1.097 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.227 10.781 0.039 1.00 0.00 C ATOM 0 H VAL A 82 6.517 11.069 2.060 1.00 0.00 H new ATOM 0 HA VAL A 82 5.743 8.500 1.584 1.00 0.00 H new ATOM 0 HB VAL A 82 7.254 10.284 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.865 9.173 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.883 8.012 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.150 8.145 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.060 11.231 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.314 10.287 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.500 11.558 0.753 1.00 0.00 H new ATOM 1294 N HIS A 83 9.021 8.847 1.383 1.00 0.00 N ATOM 1295 CA HIS A 83 10.259 8.081 1.322 1.00 0.00 C ATOM 1296 C HIS A 83 10.139 6.852 2.209 1.00 0.00 C ATOM 1297 O HIS A 83 10.562 5.758 1.841 1.00 0.00 O ATOM 1298 CB HIS A 83 11.453 8.935 1.758 1.00 0.00 C ATOM 1299 CG HIS A 83 12.427 9.210 0.654 1.00 0.00 C ATOM 1300 ND1 HIS A 83 12.040 9.462 -0.646 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.780 9.268 0.658 1.00 0.00 C ATOM 1302 CE1 HIS A 83 13.111 9.663 -1.391 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.180 9.552 -0.624 1.00 0.00 N ATOM 0 H HIS A 83 9.142 9.845 1.553 1.00 0.00 H new ATOM 0 HA HIS A 83 10.428 7.769 0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.087 9.883 2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.972 8.430 2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.425 9.119 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.113 9.881 -2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.146 9.660 -0.934 1.00 0.00 H new ATOM 1312 N HIS A 84 9.534 7.045 3.376 1.00 0.00 N ATOM 1313 CA HIS A 84 9.324 5.956 4.318 1.00 0.00 C ATOM 1314 C HIS A 84 8.172 5.063 3.860 1.00 0.00 C ATOM 1315 O HIS A 84 8.146 3.868 4.153 1.00 0.00 O ATOM 1316 CB HIS A 84 9.037 6.508 5.716 1.00 0.00 C ATOM 1317 CG HIS A 84 10.253 6.582 6.588 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.002 5.476 6.930 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.849 7.639 7.188 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.006 5.850 7.705 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.936 7.157 7.875 1.00 0.00 N ATOM 0 H HIS A 84 9.180 7.948 3.691 1.00 0.00 H new ATOM 0 HA HIS A 84 10.234 5.357 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.604 7.504 5.623 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.290 5.880 6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.529 8.669 7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.756 5.197 8.127 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.584 7.718 8.427 1.00 0.00 H new ATOM 1330 N ILE A 85 7.213 5.655 3.147 1.00 0.00 N ATOM 1331 CA ILE A 85 6.054 4.911 2.660 1.00 0.00 C ATOM 1332 C ILE A 85 6.352 4.227 1.323 1.00 0.00 C ATOM 1333 O ILE A 85 5.879 3.124 1.073 1.00 0.00 O ATOM 1334 CB ILE A 85 4.767 5.800 2.577 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.377 6.173 1.144 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.909 7.055 3.412 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.877 6.317 0.962 1.00 0.00 C ATOM 0 H ILE A 85 7.217 6.643 2.895 1.00 0.00 H new ATOM 0 HA ILE A 85 5.848 4.131 3.393 1.00 0.00 H new ATOM 0 HB ILE A 85 3.962 5.185 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.863 7.110 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.750 5.410 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.999 7.650 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.074 6.782 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.756 7.638 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.660 6.582 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.389 5.373 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.504 7.099 1.623 1.00 0.00 H new ATOM 1349 N GLU A 86 7.148 4.878 0.480 1.00 0.00 N ATOM 1350 CA GLU A 86 7.516 4.320 -0.819 1.00 0.00 C ATOM 1351 C GLU A 86 8.523 3.194 -0.642 1.00 0.00 C ATOM 1352 O GLU A 86 8.438 2.165 -1.310 1.00 0.00 O ATOM 1353 CB GLU A 86 8.090 5.410 -1.730 1.00 0.00 C ATOM 1354 CG GLU A 86 9.212 6.213 -1.098 1.00 0.00 C ATOM 1355 CD GLU A 86 10.449 6.282 -1.974 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.657 5.353 -2.784 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.211 7.264 -1.849 1.00 0.00 O ATOM 0 H GLU A 86 7.552 5.795 0.673 1.00 0.00 H new ATOM 0 HA GLU A 86 6.619 3.916 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.459 4.947 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.287 6.089 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.859 7.224 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.476 5.768 -0.139 1.00 0.00 H new ATOM 1364 N GLN A 87 9.461 3.378 0.281 1.00 0.00 N ATOM 1365 CA GLN A 87 10.451 2.350 0.555 1.00 0.00 C ATOM 1366 C GLN A 87 9.758 1.148 1.174 1.00 0.00 C ATOM 1367 O GLN A 87 10.170 0.006 0.984 1.00 0.00 O ATOM 1368 CB GLN A 87 11.538 2.876 1.497 1.00 0.00 C ATOM 1369 CG GLN A 87 12.778 3.380 0.777 1.00 0.00 C ATOM 1370 CD GLN A 87 12.458 4.401 -0.297 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.210 5.570 -0.005 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.464 3.961 -1.550 1.00 0.00 N ATOM 0 H GLN A 87 9.554 4.222 0.846 1.00 0.00 H new ATOM 0 HA GLN A 87 10.930 2.059 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.124 3.685 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.826 2.081 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.459 3.824 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.299 2.536 0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.675 2.983 -1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.257 4.602 -2.316 1.00 0.00 H new ATOM 1381 N ASN A 88 8.686 1.425 1.910 1.00 0.00 N ATOM 1382 CA ASN A 88 7.904 0.386 2.556 1.00 0.00 C ATOM 1383 C ASN A 88 6.905 -0.219 1.578 1.00 0.00 C ATOM 1384 O ASN A 88 6.741 -1.437 1.518 1.00 0.00 O ATOM 1385 CB ASN A 88 7.169 0.955 3.773 1.00 0.00 C ATOM 1386 CG ASN A 88 7.952 0.770 5.059 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.635 -0.098 5.872 1.00 0.00 O ATOM 1388 ND2 ASN A 88 8.979 1.590 5.250 1.00 0.00 N ATOM 0 H ASN A 88 8.340 2.371 2.072 1.00 0.00 H new ATOM 0 HA ASN A 88 8.583 -0.399 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.979 2.017 3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.198 0.468 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.541 1.515 6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.206 2.295 4.549 1.00 0.00 H new ATOM 1395 N ILE A 89 6.233 0.641 0.813 1.00 0.00 N ATOM 1396 CA ILE A 89 5.248 0.185 -0.159 1.00 0.00 C ATOM 1397 C ILE A 89 5.914 -0.434 -1.365 1.00 0.00 C ATOM 1398 O ILE A 89 5.616 -1.572 -1.731 1.00 0.00 O ATOM 1399 CB ILE A 89 4.302 1.324 -0.611 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.955 1.139 0.061 1.00 0.00 C ATOM 1401 CG2 ILE A 89 4.127 1.365 -2.130 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.518 2.341 0.880 1.00 0.00 C ATOM 0 H ILE A 89 6.354 1.653 0.849 1.00 0.00 H new ATOM 0 HA ILE A 89 4.648 -0.573 0.343 1.00 0.00 H new ATOM 0 HB ILE A 89 4.749 2.273 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.203 0.935 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.998 0.264 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.455 2.181 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.096 1.523 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.705 0.420 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.547 2.140 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.250 2.533 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.443 3.215 0.232 1.00 0.00 H new ATOM 1414 N LYS A 90 6.809 0.310 -1.991 1.00 0.00 N ATOM 1415 CA LYS A 90 7.488 -0.199 -3.160 1.00 0.00 C ATOM 1416 C LYS A 90 8.233 -1.481 -2.819 1.00 0.00 C ATOM 1417 O LYS A 90 8.393 -2.357 -3.662 1.00 0.00 O ATOM 1418 CB LYS A 90 8.443 0.844 -3.744 1.00 0.00 C ATOM 1419 CG LYS A 90 7.777 2.175 -4.050 1.00 0.00 C ATOM 1420 CD LYS A 90 6.945 2.102 -5.321 1.00 0.00 C ATOM 1421 CE LYS A 90 7.817 2.145 -6.565 1.00 0.00 C ATOM 1422 NZ LYS A 90 7.421 1.109 -7.558 1.00 0.00 N ATOM 0 H LYS A 90 7.077 1.254 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 90 6.738 -0.422 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.260 1.009 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.884 0.449 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.141 2.466 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.538 2.948 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.358 1.184 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.239 2.932 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.747 3.132 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.859 1.997 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.262 0.789 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.992 0.300 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.732 1.512 -8.224 1.00 0.00 H new ATOM 1436 N GLU A 91 8.655 -1.600 -1.564 1.00 0.00 N ATOM 1437 CA GLU A 91 9.339 -2.801 -1.106 1.00 0.00 C ATOM 1438 C GLU A 91 8.316 -3.792 -0.554 1.00 0.00 C ATOM 1439 O GLU A 91 8.661 -4.904 -0.155 1.00 0.00 O ATOM 1440 CB GLU A 91 10.376 -2.462 -0.035 1.00 0.00 C ATOM 1441 CG GLU A 91 11.342 -3.598 0.257 1.00 0.00 C ATOM 1442 CD GLU A 91 11.554 -3.816 1.743 1.00 0.00 C ATOM 1443 OE1 GLU A 91 11.661 -2.813 2.480 1.00 0.00 O ATOM 1444 OE2 GLU A 91 11.613 -4.988 2.169 1.00 0.00 O ATOM 0 H GLU A 91 8.535 -0.882 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 91 9.860 -3.251 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.943 -1.587 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.860 -2.189 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.963 -4.517 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.301 -3.385 -0.216 1.00 0.00 H new ATOM 1451 N ILE A 92 7.048 -3.372 -0.541 1.00 0.00 N ATOM 1452 CA ILE A 92 5.963 -4.197 -0.052 1.00 0.00 C ATOM 1453 C ILE A 92 5.562 -5.219 -1.103 1.00 0.00 C ATOM 1454 O ILE A 92 5.456 -6.411 -0.822 1.00 0.00 O ATOM 1455 CB ILE A 92 4.748 -3.336 0.366 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.291 -3.755 1.756 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.602 -3.420 -0.629 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.258 -3.328 2.832 1.00 0.00 C ATOM 0 H ILE A 92 6.755 -2.452 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 92 6.313 -4.727 0.834 1.00 0.00 H new ATOM 0 HB ILE A 92 5.064 -2.293 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.311 -3.322 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.174 -4.838 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.776 -2.797 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.940 -3.070 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.267 -4.454 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.886 -3.651 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.232 -3.782 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.356 -2.242 2.823 1.00 0.00 H new ATOM 1470 N PHE A 93 5.362 -4.735 -2.325 1.00 0.00 N ATOM 1471 CA PHE A 93 4.989 -5.592 -3.439 1.00 0.00 C ATOM 1472 C PHE A 93 5.904 -6.820 -3.501 1.00 0.00 C ATOM 1473 O PHE A 93 5.518 -7.868 -4.014 1.00 0.00 O ATOM 1474 CB PHE A 93 5.078 -4.802 -4.750 1.00 0.00 C ATOM 1475 CG PHE A 93 6.443 -4.863 -5.361 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.552 -4.613 -4.581 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.622 -5.207 -6.688 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.819 -4.702 -5.104 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.891 -5.292 -7.227 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.994 -5.041 -6.432 1.00 0.00 C ATOM 0 H PHE A 93 5.453 -3.748 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 93 3.964 -5.933 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.348 -5.195 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.813 -3.761 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.423 -4.343 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.762 -5.411 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.677 -4.507 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.021 -5.554 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.989 -5.110 -6.847 1.00 0.00 H new ATOM 1490 N HIS A 94 7.124 -6.672 -2.979 1.00 0.00 N ATOM 1491 CA HIS A 94 8.095 -7.759 -2.977 1.00 0.00 C ATOM 1492 C HIS A 94 7.596 -8.892 -2.103 1.00 0.00 C ATOM 1493 O HIS A 94 7.259 -9.967 -2.595 1.00 0.00 O ATOM 1494 CB HIS A 94 9.454 -7.265 -2.479 1.00 0.00 C ATOM 1495 CG HIS A 94 10.611 -8.043 -3.025 1.00 0.00 C ATOM 1496 ND1 HIS A 94 10.952 -9.301 -2.572 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.508 -7.737 -3.991 1.00 0.00 C ATOM 1498 CE1 HIS A 94 12.009 -9.733 -3.235 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.365 -8.803 -4.102 1.00 0.00 N ATOM 0 H HIS A 94 7.459 -5.808 -2.553 1.00 0.00 H new ATOM 0 HA HIS A 94 8.216 -8.123 -3.997 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.572 -6.216 -2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.473 -7.317 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.543 -6.824 -4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.499 -10.685 -3.092 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.150 -8.867 -4.750 1.00 0.00 H new ATOM 1508 N HIS A 95 7.515 -8.632 -0.804 1.00 0.00 N ATOM 1509 CA HIS A 95 7.015 -9.624 0.134 1.00 0.00 C ATOM 1510 C HIS A 95 5.578 -9.993 -0.218 1.00 0.00 C ATOM 1511 O HIS A 95 5.043 -10.984 0.281 1.00 0.00 O ATOM 1512 CB HIS A 95 7.090 -9.092 1.566 1.00 0.00 C ATOM 1513 CG HIS A 95 8.434 -9.273 2.202 1.00 0.00 C ATOM 1514 ND1 HIS A 95 9.540 -9.718 1.509 1.00 0.00 N ATOM 1515 CD2 HIS A 95 8.847 -9.067 3.475 1.00 0.00 C ATOM 1516 CE1 HIS A 95 10.575 -9.778 2.328 1.00 0.00 C ATOM 1517 NE2 HIS A 95 10.181 -9.388 3.526 1.00 0.00 N ATOM 0 H HIS A 95 7.788 -7.746 -0.379 1.00 0.00 H new ATOM 0 HA HIS A 95 7.637 -10.516 0.066 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.838 -8.032 1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.339 -9.598 2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.240 -8.716 4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.573 -10.093 2.063 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.772 -9.334 4.356 1.00 0.00 H new ATOM 1526 N LEU A 96 4.957 -9.199 -1.096 1.00 0.00 N ATOM 1527 CA LEU A 96 3.589 -9.465 -1.519 1.00 0.00 C ATOM 1528 C LEU A 96 3.582 -10.441 -2.681 1.00 0.00 C ATOM 1529 O LEU A 96 3.107 -11.569 -2.557 1.00 0.00 O ATOM 1530 CB LEU A 96 2.895 -8.166 -1.919 1.00 0.00 C ATOM 1531 CG LEU A 96 2.546 -7.243 -0.759 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.664 -6.100 -1.237 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.862 -8.010 0.363 1.00 0.00 C ATOM 0 H LEU A 96 5.380 -8.374 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 96 3.046 -9.907 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.539 -7.626 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.980 -8.411 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 96 3.474 -6.827 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.424 -5.450 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.192 -5.527 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.743 -6.503 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.624 -7.327 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.944 -8.461 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.528 -8.792 0.728 1.00 0.00 H new ATOM 1545 N GLU A 97 4.138 -10.008 -3.806 1.00 0.00 N ATOM 1546 CA GLU A 97 4.220 -10.856 -4.982 1.00 0.00 C ATOM 1547 C GLU A 97 5.074 -12.082 -4.676 1.00 0.00 C ATOM 1548 O GLU A 97 5.023 -13.079 -5.395 1.00 0.00 O ATOM 1549 CB GLU A 97 4.807 -10.081 -6.164 1.00 0.00 C ATOM 1550 CG GLU A 97 3.845 -9.930 -7.331 1.00 0.00 C ATOM 1551 CD GLU A 97 4.536 -10.049 -8.675 1.00 0.00 C ATOM 1552 OE1 GLU A 97 5.399 -10.940 -8.822 1.00 0.00 O ATOM 1553 OE2 GLU A 97 4.215 -9.251 -9.580 1.00 0.00 O ATOM 0 H GLU A 97 4.537 -9.077 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 97 3.215 -11.181 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.110 -9.091 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.707 -10.589 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.068 -10.691 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.350 -8.961 -7.266 1.00 0.00 H new ATOM 1560 N GLU A 98 5.847 -12.007 -3.592 1.00 0.00 N ATOM 1561 CA GLU A 98 6.696 -13.125 -3.189 1.00 0.00 C ATOM 1562 C GLU A 98 5.920 -14.100 -2.304 1.00 0.00 C ATOM 1563 O GLU A 98 6.474 -15.086 -1.817 1.00 0.00 O ATOM 1564 CB GLU A 98 7.935 -12.622 -2.445 1.00 0.00 C ATOM 1565 CG GLU A 98 8.959 -11.954 -3.349 1.00 0.00 C ATOM 1566 CD GLU A 98 10.190 -12.811 -3.573 1.00 0.00 C ATOM 1567 OE1 GLU A 98 10.114 -13.761 -4.380 1.00 0.00 O ATOM 1568 OE2 GLU A 98 11.230 -12.532 -2.939 1.00 0.00 O ATOM 0 H GLU A 98 5.902 -11.191 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 98 7.015 -13.647 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.624 -11.914 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.407 -13.461 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.497 -11.730 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.259 -11.002 -2.910 1.00 0.00 H new ATOM 1575 N LEU A 99 4.636 -13.816 -2.099 1.00 0.00 N ATOM 1576 CA LEU A 99 3.784 -14.663 -1.277 1.00 0.00 C ATOM 1577 C LEU A 99 2.915 -15.563 -2.147 1.00 0.00 C ATOM 1578 O LEU A 99 3.025 -16.788 -2.099 1.00 0.00 O ATOM 1579 CB LEU A 99 2.894 -13.801 -0.381 1.00 0.00 C ATOM 1580 CG LEU A 99 1.987 -14.583 0.568 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.780 -15.087 1.762 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.818 -13.721 1.024 1.00 0.00 C ATOM 0 H LEU A 99 4.164 -13.002 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 99 4.424 -15.290 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.529 -13.140 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.273 -13.166 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 99 1.586 -15.444 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.120 -15.642 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.581 -15.741 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.209 -14.240 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.184 -14.296 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.196 -12.840 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.236 -13.409 0.157 1.00 0.00 H new ATOM 1594 N VAL A 100 2.049 -14.942 -2.938 1.00 0.00 N ATOM 1595 CA VAL A 100 1.153 -15.675 -3.820 1.00 0.00 C ATOM 1596 C VAL A 100 1.930 -16.492 -4.849 1.00 0.00 C ATOM 1597 O VAL A 100 1.461 -17.532 -5.312 1.00 0.00 O ATOM 1598 CB VAL A 100 0.193 -14.714 -4.547 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.825 -15.485 -5.375 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.504 -13.807 -3.544 1.00 0.00 C ATOM 0 H VAL A 100 1.949 -13.928 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 100 0.575 -16.358 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 100 0.777 -14.095 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.491 -14.784 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.306 -16.090 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.408 -16.134 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.179 -13.133 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.073 -14.413 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.241 -13.224 -3.002 1.00 0.00 H new ATOM 1610 N HIS A 101 3.120 -16.017 -5.203 1.00 0.00 N ATOM 1611 CA HIS A 101 3.958 -16.710 -6.176 1.00 0.00 C ATOM 1612 C HIS A 101 4.991 -17.590 -5.480 1.00 0.00 C ATOM 1613 O HIS A 101 6.108 -17.760 -5.970 1.00 0.00 O ATOM 1614 CB HIS A 101 4.663 -15.701 -7.083 1.00 0.00 C ATOM 1615 CG HIS A 101 3.725 -14.908 -7.940 1.00 0.00 C ATOM 1616 ND1 HIS A 101 3.977 -13.609 -8.329 1.00 0.00 N ATOM 1617 CD2 HIS A 101 2.529 -15.237 -8.486 1.00 0.00 C ATOM 1618 CE1 HIS A 101 2.977 -13.174 -9.076 1.00 0.00 C ATOM 1619 NE2 HIS A 101 2.087 -14.142 -9.187 1.00 0.00 N ATOM 0 H HIS A 101 3.525 -15.158 -4.832 1.00 0.00 H new ATOM 0 HA HIS A 101 3.314 -17.347 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.246 -15.016 -6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.367 -16.231 -7.724 1.00 0.00 H new ATOM 0 HD1 HIS A 101 4.805 -13.069 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 101 2.019 -16.184 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.901 -12.193 -9.520 1.00 0.00 H new ATOM 1628 N ARG A 102 4.612 -18.149 -4.336 1.00 0.00 N ATOM 1629 CA ARG A 102 5.507 -19.013 -3.574 1.00 0.00 C ATOM 1630 C ARG A 102 4.753 -20.213 -3.008 1.00 0.00 C ATOM 1631 O ARG A 102 4.039 -20.039 -1.998 1.00 0.00 O ATOM 1632 CB ARG A 102 6.167 -18.224 -2.440 1.00 0.00 C ATOM 1633 CG ARG A 102 7.686 -18.260 -2.478 1.00 0.00 C ATOM 1634 CD ARG A 102 8.244 -19.300 -1.519 1.00 0.00 C ATOM 1635 NE ARG A 102 7.958 -18.967 -0.125 1.00 0.00 N ATOM 1636 CZ ARG A 102 8.616 -19.483 0.911 1.00 0.00 C ATOM 1637 NH1 ARG A 102 9.596 -20.356 0.715 1.00 0.00 N ATOM 1638 NH2 ARG A 102 8.292 -19.126 2.146 1.00 0.00 N ATOM 1639 OXT ARG A 102 4.883 -21.316 -3.579 1.00 0.00 O ATOM 0 H ARG A 102 3.692 -18.020 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 102 6.281 -19.380 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.835 -17.187 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.826 -18.623 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.020 -18.482 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.081 -17.277 -2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.818 -20.275 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.322 -19.381 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 102 7.210 -18.300 0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.849 -20.635 -0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.097 -20.748 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.539 -18.456 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.796 -19.521 2.940 1.00 0.00 H new