USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=16 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 35 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-0.84) USER MOD Set 1.2: A 39 ASN : amide:sc= 0 X(o=-0.19,f=-0.46) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 ASN : amide:sc= -1.35 K(o=-1.3,f=-8.3!) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -0.868 X(o=-0.56,f=-0.67) USER MOD Set 3.2: A 22 HIS : no HD1:sc= -0.241 K(o=-0.56,f=-2.5) USER MOD Set 3.3: A 81 SER OG : rot 160:sc= 0.546 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= -0.872 (180deg=-0.872) USER MOD Set 4.2: A 6 ASN :FLIP amide:sc= -2.09! C(o=-6.3!,f=-5!) USER MOD Set 4.3: A 45 HIS : no HD1:sc= -2 X(o=-5,f=-5.1!) USER MOD Set 4.4: A 48 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 40:sc= 0.464 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.87! C(o=-1.9!,f=-5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.038 F(o=-0.55,f=-0.038) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0565 K(o=-0.057,f=-1.4!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.4! C(o=-3.9!,f=-1.4!) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0908) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -3.52! C(o=-4.2!,f=-3.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= 0.0792 F(o=-1.4,f=0.079) USER MOD Single : A 60 MET CE :methyl 157:sc= -3.78 (180deg=-5.6!) USER MOD Single : A 61 MET CE :methyl 170:sc= 0 (180deg=-0.0613) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.285) USER MOD Single : A 65 GLN :FLIP amide:sc= -3.86! C(o=-5.3!,f=-3.9!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 74 GLN :FLIP amide:sc= -6.61! C(o=-12!,f=-6.6!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.405 K(o=-0.41,f=-3.9!) USER MOD Single : A 83 HIS : no HD1:sc=-0.00645 X(o=-0.0065,f=-0.0029) USER MOD Single : A 84 ASN : amide:sc= -3.63! C(o=-3.6!,f=-8.1!) USER MOD Single : A 86 HIS :FLIP no HE2:sc= -2.46! C(o=-5!,f=-2.5!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.03) USER MOD Single : A 95 HIS : no HD1:sc=-0.000153 X(o=-0.00015,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.001 -20.144 -9.924 1.00 0.00 N ATOM 2 CA MET A 1 3.280 -18.700 -9.677 1.00 0.00 C ATOM 3 C MET A 1 2.573 -17.857 -10.740 1.00 0.00 C ATOM 4 O MET A 1 3.023 -17.751 -11.863 1.00 0.00 O ATOM 5 CB MET A 1 4.788 -18.453 -9.750 1.00 0.00 C ATOM 6 CG MET A 1 5.097 -17.041 -9.250 1.00 0.00 C ATOM 7 SD MET A 1 6.747 -17.014 -8.504 1.00 0.00 S ATOM 8 CE MET A 1 7.655 -16.480 -9.975 1.00 0.00 C ATOM 0 H1 MET A 1 3.481 -20.719 -9.202 1.00 0.00 H new ATOM 0 H2 MET A 1 1.976 -20.313 -9.876 1.00 0.00 H new ATOM 0 H3 MET A 1 3.351 -20.409 -10.867 1.00 0.00 H new ATOM 0 HA MET A 1 2.914 -18.422 -8.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.318 -19.189 -9.145 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.138 -18.572 -10.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.048 -16.332 -10.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.350 -16.731 -8.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.715 -16.396 -9.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.519 -17.211 -10.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.279 -15.511 -10.303 1.00 0.00 H new ATOM 20 N TYR A 2 1.469 -17.255 -10.393 1.00 0.00 N ATOM 21 CA TYR A 2 0.735 -16.418 -11.385 1.00 0.00 C ATOM 22 C TYR A 2 1.643 -15.285 -11.869 1.00 0.00 C ATOM 23 O TYR A 2 2.321 -15.405 -12.870 1.00 0.00 O ATOM 24 CB TYR A 2 -0.513 -15.826 -10.725 1.00 0.00 C ATOM 25 CG TYR A 2 -0.530 -16.192 -9.261 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.524 -15.794 -8.430 1.00 0.00 C ATOM 27 CD2 TYR A 2 -1.597 -16.928 -8.735 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.511 -16.133 -7.073 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.611 -17.267 -7.377 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.557 -16.870 -6.546 1.00 0.00 C ATOM 31 OH TYR A 2 -0.570 -17.204 -5.207 1.00 0.00 O ATOM 0 H TYR A 2 1.044 -17.306 -9.467 1.00 0.00 H new ATOM 0 HA TYR A 2 0.441 -17.034 -12.235 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.519 -14.742 -10.840 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.410 -16.203 -11.215 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.347 -15.225 -8.837 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.410 -17.235 -9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.324 -15.827 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.435 -17.835 -6.971 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.240 -16.448 -4.678 1.00 0.00 H new ATOM 41 N GLY A 3 1.662 -14.187 -11.166 1.00 0.00 N ATOM 42 CA GLY A 3 2.526 -13.048 -11.586 1.00 0.00 C ATOM 43 C GLY A 3 1.748 -11.740 -11.440 1.00 0.00 C ATOM 44 O GLY A 3 2.317 -10.665 -11.426 1.00 0.00 O ATOM 0 H GLY A 3 1.117 -14.029 -10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.428 -13.017 -10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.845 -13.181 -12.620 1.00 0.00 H new ATOM 48 N LYS A 4 0.450 -11.819 -11.332 1.00 0.00 N ATOM 49 CA LYS A 4 -0.363 -10.581 -11.187 1.00 0.00 C ATOM 50 C LYS A 4 0.206 -9.729 -10.054 1.00 0.00 C ATOM 51 O LYS A 4 0.218 -8.517 -10.129 1.00 0.00 O ATOM 52 CB LYS A 4 -1.812 -10.948 -10.867 1.00 0.00 C ATOM 53 CG LYS A 4 -2.263 -12.087 -11.785 1.00 0.00 C ATOM 54 CD LYS A 4 -3.791 -12.106 -11.863 1.00 0.00 C ATOM 55 CE LYS A 4 -4.279 -13.548 -12.018 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.686 -13.545 -12.508 1.00 0.00 N ATOM 0 H LYS A 4 -0.082 -12.689 -11.338 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.331 -10.019 -12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.900 -11.251 -9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.457 -10.080 -11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.839 -11.955 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.896 -13.041 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.217 -11.662 -10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.130 -11.504 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.640 -14.086 -12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.216 -14.069 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.019 -14.525 -12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.291 -13.046 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.732 -13.062 -13.428 1.00 0.00 H new ATOM 70 N LEU A 5 0.679 -10.346 -9.004 1.00 0.00 N ATOM 71 CA LEU A 5 1.245 -9.549 -7.879 1.00 0.00 C ATOM 72 C LEU A 5 1.984 -8.345 -8.452 1.00 0.00 C ATOM 73 O LEU A 5 1.663 -7.212 -8.153 1.00 0.00 O ATOM 74 CB LEU A 5 2.228 -10.394 -7.068 1.00 0.00 C ATOM 75 CG LEU A 5 1.548 -11.670 -6.549 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.062 -11.413 -6.288 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.689 -12.806 -7.564 1.00 0.00 C ATOM 0 H LEU A 5 0.698 -11.358 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 5 0.433 -9.226 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.085 -10.659 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.609 -9.812 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 5 2.037 -11.957 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.406 -12.326 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.046 -10.625 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.422 -11.104 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.201 -13.701 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.221 -12.514 -8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.746 -13.013 -7.734 1.00 0.00 H new ATOM 89 N ASN A 6 2.970 -8.580 -9.277 1.00 0.00 N ATOM 90 CA ASN A 6 3.719 -7.442 -9.871 1.00 0.00 C ATOM 91 C ASN A 6 2.739 -6.303 -10.141 1.00 0.00 C ATOM 92 O ASN A 6 3.020 -5.154 -9.869 1.00 0.00 O ATOM 93 CB ASN A 6 4.375 -7.883 -11.182 1.00 0.00 C ATOM 94 CG ASN A 6 5.828 -7.402 -11.212 1.00 0.00 C ATOM 95 OD1 ASN A 6 6.731 -8.050 -10.528 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 6.145 -6.428 -11.864 1.00 0.00 N flip ATOM 0 H ASN A 6 3.286 -9.507 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 6 4.497 -7.108 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.338 -8.969 -11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.827 -7.474 -12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.440 -5.921 -12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.116 -6.117 -11.877 1.00 0.00 H new ATOM 103 N ASP A 7 1.577 -6.614 -10.655 1.00 0.00 N ATOM 104 CA ASP A 7 0.580 -5.540 -10.916 1.00 0.00 C ATOM 105 C ASP A 7 0.184 -4.918 -9.577 1.00 0.00 C ATOM 106 O ASP A 7 0.070 -3.717 -9.446 1.00 0.00 O ATOM 107 CB ASP A 7 -0.657 -6.127 -11.602 1.00 0.00 C ATOM 108 CG ASP A 7 -0.273 -6.636 -12.994 1.00 0.00 C ATOM 109 OD1 ASP A 7 0.183 -5.834 -13.791 1.00 0.00 O ATOM 110 OD2 ASP A 7 -0.445 -7.819 -13.238 1.00 0.00 O ATOM 0 H ASP A 7 1.279 -7.558 -10.903 1.00 0.00 H new ATOM 0 HA ASP A 7 1.011 -4.783 -11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.065 -6.942 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.436 -5.369 -11.682 1.00 0.00 H new ATOM 115 N LEU A 8 -0.002 -5.731 -8.574 1.00 0.00 N ATOM 116 CA LEU A 8 -0.363 -5.190 -7.235 1.00 0.00 C ATOM 117 C LEU A 8 0.850 -4.450 -6.677 1.00 0.00 C ATOM 118 O LEU A 8 0.750 -3.366 -6.139 1.00 0.00 O ATOM 119 CB LEU A 8 -0.712 -6.347 -6.294 1.00 0.00 C ATOM 120 CG LEU A 8 -2.224 -6.442 -6.099 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.760 -5.112 -5.569 1.00 0.00 C ATOM 122 CD2 LEU A 8 -2.894 -6.777 -7.435 1.00 0.00 C ATOM 0 H LEU A 8 0.081 -6.746 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.218 -4.520 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.333 -7.283 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.224 -6.200 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.447 -7.229 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.839 -5.184 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.287 -4.883 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.537 -4.319 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.973 -6.844 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.671 -5.994 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.516 -7.731 -7.803 1.00 0.00 H new ATOM 134 N LEU A 9 2.001 -5.048 -6.809 1.00 0.00 N ATOM 135 CA LEU A 9 3.248 -4.420 -6.298 1.00 0.00 C ATOM 136 C LEU A 9 3.554 -3.148 -7.095 1.00 0.00 C ATOM 137 O LEU A 9 3.559 -2.056 -6.563 1.00 0.00 O ATOM 138 CB LEU A 9 4.401 -5.413 -6.464 1.00 0.00 C ATOM 139 CG LEU A 9 5.717 -4.759 -6.049 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.564 -5.770 -5.276 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.480 -4.304 -7.296 1.00 0.00 C ATOM 0 H LEU A 9 2.131 -5.956 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 9 3.124 -4.160 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.219 -6.300 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.461 -5.744 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 9 5.509 -3.896 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.504 -5.305 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.023 -6.094 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.770 -6.632 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.419 -3.837 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.688 -5.166 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.877 -3.584 -7.849 1.00 0.00 H new ATOM 153 N GLU A 10 3.819 -3.281 -8.368 1.00 0.00 N ATOM 154 CA GLU A 10 4.133 -2.078 -9.192 1.00 0.00 C ATOM 155 C GLU A 10 3.008 -1.051 -9.050 1.00 0.00 C ATOM 156 O GLU A 10 3.239 0.141 -9.071 1.00 0.00 O ATOM 157 CB GLU A 10 4.270 -2.478 -10.664 1.00 0.00 C ATOM 158 CG GLU A 10 5.715 -2.890 -10.949 1.00 0.00 C ATOM 159 CD GLU A 10 5.857 -3.254 -12.428 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.126 -2.359 -13.214 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.693 -4.418 -12.749 1.00 0.00 O ATOM 0 H GLU A 10 3.831 -4.168 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 10 5.071 -1.644 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.594 -3.302 -10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.985 -1.645 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.394 -2.075 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.992 -3.740 -10.326 1.00 0.00 H new ATOM 168 N ASP A 11 1.791 -1.502 -8.908 1.00 0.00 N ATOM 169 CA ASP A 11 0.658 -0.544 -8.769 1.00 0.00 C ATOM 170 C ASP A 11 0.615 0.001 -7.338 1.00 0.00 C ATOM 171 O ASP A 11 0.143 1.094 -7.099 1.00 0.00 O ATOM 172 CB ASP A 11 -0.659 -1.259 -9.085 1.00 0.00 C ATOM 173 CG ASP A 11 -1.807 -0.248 -9.071 1.00 0.00 C ATOM 174 OD1 ASP A 11 -1.783 0.633 -8.228 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.689 -0.374 -9.903 1.00 0.00 O ATOM 0 H ASP A 11 1.533 -2.489 -8.882 1.00 0.00 H new ATOM 0 HA ASP A 11 0.798 0.283 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.598 -1.742 -10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.843 -2.044 -8.352 1.00 0.00 H new ATOM 180 N LEU A 12 1.102 -0.747 -6.384 1.00 0.00 N ATOM 181 CA LEU A 12 1.082 -0.254 -4.979 1.00 0.00 C ATOM 182 C LEU A 12 2.217 0.750 -4.778 1.00 0.00 C ATOM 183 O LEU A 12 2.003 1.863 -4.343 1.00 0.00 O ATOM 184 CB LEU A 12 1.260 -1.437 -4.023 1.00 0.00 C ATOM 185 CG LEU A 12 1.766 -0.936 -2.669 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.821 0.139 -2.136 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.813 -2.105 -1.683 1.00 0.00 C ATOM 0 H LEU A 12 1.510 -1.672 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 12 0.129 0.234 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.312 -1.960 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.966 -2.153 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 12 2.764 -0.515 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.182 0.495 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.783 0.971 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.178 -0.281 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.173 -1.752 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.813 -2.523 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.486 -2.874 -2.062 1.00 0.00 H new ATOM 199 N GLN A 13 3.425 0.369 -5.094 1.00 0.00 N ATOM 200 CA GLN A 13 4.565 1.310 -4.918 1.00 0.00 C ATOM 201 C GLN A 13 4.300 2.574 -5.738 1.00 0.00 C ATOM 202 O GLN A 13 4.822 3.632 -5.450 1.00 0.00 O ATOM 203 CB GLN A 13 5.858 0.648 -5.398 1.00 0.00 C ATOM 204 CG GLN A 13 5.777 0.386 -6.902 1.00 0.00 C ATOM 205 CD GLN A 13 7.128 -0.131 -7.399 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.186 -0.941 -8.303 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.224 0.305 -6.839 1.00 0.00 N ATOM 0 H GLN A 13 3.670 -0.549 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 13 4.667 1.570 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.710 1.290 -5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.018 -0.289 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.995 -0.343 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.509 1.302 -7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.173 0.985 -6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.131 -0.034 -7.160 1.00 0.00 H new ATOM 216 N GLU A 14 3.486 2.471 -6.753 1.00 0.00 N ATOM 217 CA GLU A 14 3.179 3.666 -7.585 1.00 0.00 C ATOM 218 C GLU A 14 2.363 4.655 -6.755 1.00 0.00 C ATOM 219 O GLU A 14 2.795 5.759 -6.487 1.00 0.00 O ATOM 220 CB GLU A 14 2.372 3.241 -8.809 1.00 0.00 C ATOM 221 CG GLU A 14 3.328 2.821 -9.928 1.00 0.00 C ATOM 222 CD GLU A 14 2.538 2.140 -11.047 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.070 2.843 -11.926 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.415 0.928 -11.004 1.00 0.00 O ATOM 0 H GLU A 14 3.021 1.610 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 14 4.107 4.136 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.710 2.414 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.740 4.063 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.853 3.693 -10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.085 2.141 -9.537 1.00 0.00 H new ATOM 231 N VAL A 15 1.190 4.266 -6.331 1.00 0.00 N ATOM 232 CA VAL A 15 0.365 5.188 -5.508 1.00 0.00 C ATOM 233 C VAL A 15 1.274 5.829 -4.460 1.00 0.00 C ATOM 234 O VAL A 15 1.142 6.991 -4.130 1.00 0.00 O ATOM 235 CB VAL A 15 -0.767 4.394 -4.836 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.849 2.997 -5.452 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.511 4.264 -3.330 1.00 0.00 C ATOM 0 H VAL A 15 0.772 3.355 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.084 5.966 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.705 4.926 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.652 2.435 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.050 3.081 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.097 2.477 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.322 3.699 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.432 3.744 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.461 5.257 -2.882 1.00 0.00 H new ATOM 247 N LEU A 16 2.213 5.079 -3.956 1.00 0.00 N ATOM 248 CA LEU A 16 3.156 5.637 -2.951 1.00 0.00 C ATOM 249 C LEU A 16 4.043 6.667 -3.650 1.00 0.00 C ATOM 250 O LEU A 16 4.487 7.629 -3.056 1.00 0.00 O ATOM 251 CB LEU A 16 4.017 4.501 -2.384 1.00 0.00 C ATOM 252 CG LEU A 16 5.313 5.060 -1.786 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.981 6.070 -0.685 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.127 3.909 -1.190 1.00 0.00 C ATOM 0 H LEU A 16 2.368 4.100 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 16 2.613 6.110 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.459 3.961 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.252 3.786 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 16 5.889 5.556 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.905 6.465 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.396 6.888 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.405 5.578 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.051 4.300 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.545 3.418 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.365 3.189 -1.973 1.00 0.00 H new ATOM 266 N LYS A 17 4.294 6.472 -4.920 1.00 0.00 N ATOM 267 CA LYS A 17 5.143 7.439 -5.669 1.00 0.00 C ATOM 268 C LYS A 17 4.327 8.698 -5.967 1.00 0.00 C ATOM 269 O LYS A 17 4.769 9.806 -5.740 1.00 0.00 O ATOM 270 CB LYS A 17 5.599 6.808 -6.987 1.00 0.00 C ATOM 271 CG LYS A 17 7.095 7.062 -7.180 1.00 0.00 C ATOM 272 CD LYS A 17 7.518 6.602 -8.578 1.00 0.00 C ATOM 273 CE LYS A 17 7.746 5.089 -8.573 1.00 0.00 C ATOM 274 NZ LYS A 17 7.000 4.472 -9.706 1.00 0.00 N ATOM 0 H LYS A 17 3.947 5.685 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 17 6.016 7.698 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.399 5.737 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.037 7.231 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.313 8.122 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.666 6.526 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.749 6.862 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.430 7.116 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.810 4.870 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.411 4.663 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.154 3.443 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.984 4.670 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.340 4.871 -10.604 1.00 0.00 H new ATOM 288 N HIS A 18 3.136 8.533 -6.474 1.00 0.00 N ATOM 289 CA HIS A 18 2.286 9.716 -6.784 1.00 0.00 C ATOM 290 C HIS A 18 1.695 10.267 -5.486 1.00 0.00 C ATOM 291 O HIS A 18 0.689 10.948 -5.488 1.00 0.00 O ATOM 292 CB HIS A 18 1.157 9.299 -7.723 1.00 0.00 C ATOM 293 CG HIS A 18 0.355 10.509 -8.122 1.00 0.00 C ATOM 294 ND1 HIS A 18 0.935 11.759 -8.294 1.00 0.00 N ATOM 295 CD2 HIS A 18 -0.982 10.675 -8.389 1.00 0.00 C ATOM 296 CE1 HIS A 18 -0.043 12.613 -8.650 1.00 0.00 C ATOM 297 NE2 HIS A 18 -1.227 12.001 -8.722 1.00 0.00 N ATOM 0 H HIS A 18 2.715 7.629 -6.687 1.00 0.00 H new ATOM 0 HA HIS A 18 2.890 10.485 -7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.568 8.815 -8.609 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.513 8.570 -7.231 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.728 9.895 -8.347 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.111 13.663 -8.852 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.124 12.419 -8.970 1.00 0.00 H new ATOM 306 N VAL A 19 2.315 9.973 -4.375 1.00 0.00 N ATOM 307 CA VAL A 19 1.795 10.474 -3.072 1.00 0.00 C ATOM 308 C VAL A 19 2.898 11.261 -2.355 1.00 0.00 C ATOM 309 O VAL A 19 2.675 12.344 -1.854 1.00 0.00 O ATOM 310 CB VAL A 19 1.364 9.280 -2.210 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.547 9.621 -0.731 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.109 8.953 -2.475 1.00 0.00 C ATOM 0 H VAL A 19 3.161 9.406 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 19 0.939 11.127 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 19 1.979 8.417 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.240 8.771 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.595 9.847 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.936 10.488 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.410 8.104 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.724 9.818 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.243 8.704 -3.528 1.00 0.00 H new ATOM 322 N ASN A 20 4.086 10.721 -2.302 1.00 0.00 N ATOM 323 CA ASN A 20 5.202 11.434 -1.617 1.00 0.00 C ATOM 324 C ASN A 20 5.342 12.847 -2.191 1.00 0.00 C ATOM 325 O ASN A 20 5.705 13.775 -1.495 1.00 0.00 O ATOM 326 CB ASN A 20 6.507 10.665 -1.836 1.00 0.00 C ATOM 327 CG ASN A 20 6.729 9.696 -0.674 1.00 0.00 C ATOM 328 OD1 ASN A 20 5.698 9.127 -0.113 1.00 0.00 O flip ATOM 329 ND2 ASN A 20 7.850 9.452 -0.275 1.00 0.00 N flip ATOM 0 H ASN A 20 4.332 9.816 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 20 4.988 11.497 -0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.465 10.117 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.343 11.360 -1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.656 9.897 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.986 8.802 0.499 1.00 0.00 H new ATOM 336 N GLN A 21 5.060 13.015 -3.453 1.00 0.00 N ATOM 337 CA GLN A 21 5.183 14.367 -4.069 1.00 0.00 C ATOM 338 C GLN A 21 3.988 15.234 -3.665 1.00 0.00 C ATOM 339 O GLN A 21 4.093 16.439 -3.558 1.00 0.00 O ATOM 340 CB GLN A 21 5.213 14.230 -5.593 1.00 0.00 C ATOM 341 CG GLN A 21 6.630 13.876 -6.047 1.00 0.00 C ATOM 342 CD GLN A 21 7.417 15.162 -6.305 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.962 15.749 -5.390 1.00 0.00 O ATOM 344 NE2 GLN A 21 7.500 15.630 -7.521 1.00 0.00 N ATOM 0 H GLN A 21 4.750 12.276 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 21 6.103 14.836 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.514 13.457 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.893 15.162 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.129 13.278 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.593 13.271 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.043 15.138 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.022 16.487 -7.703 1.00 0.00 H new ATOM 353 N HIS A 22 2.849 14.633 -3.448 1.00 0.00 N ATOM 354 CA HIS A 22 1.651 15.431 -3.060 1.00 0.00 C ATOM 355 C HIS A 22 1.312 15.175 -1.591 1.00 0.00 C ATOM 356 O HIS A 22 0.159 15.144 -1.208 1.00 0.00 O ATOM 357 CB HIS A 22 0.463 15.020 -3.933 1.00 0.00 C ATOM 358 CG HIS A 22 0.830 15.167 -5.384 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.261 16.136 -6.198 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.707 14.474 -6.183 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.797 16.001 -7.426 1.00 0.00 C ATOM 362 NE2 HIS A 22 1.682 15.004 -7.467 1.00 0.00 N ATOM 0 H HIS A 22 2.697 13.627 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 22 1.863 16.491 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.182 13.988 -3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.403 15.640 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.321 13.645 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.542 16.622 -8.272 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.226 14.695 -8.272 1.00 0.00 H new ATOM 371 N TRP A 23 2.302 14.990 -0.759 1.00 0.00 N ATOM 372 CA TRP A 23 2.016 14.737 0.681 1.00 0.00 C ATOM 373 C TRP A 23 1.820 16.060 1.410 1.00 0.00 C ATOM 374 O TRP A 23 2.577 16.996 1.241 1.00 0.00 O ATOM 375 CB TRP A 23 3.177 13.989 1.327 1.00 0.00 C ATOM 376 CG TRP A 23 2.721 13.448 2.643 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.578 14.167 3.781 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.338 12.087 2.971 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.129 13.325 4.784 1.00 0.00 N ATOM 380 CE2 TRP A 23 1.970 12.032 4.332 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.281 10.908 2.220 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.554 10.841 4.928 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.865 9.705 2.811 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.503 9.672 4.166 1.00 0.00 C ATOM 0 H TRP A 23 3.290 15.003 -1.013 1.00 0.00 H new ATOM 0 HA TRP A 23 1.110 14.135 0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.512 13.178 0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.027 14.657 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.781 15.222 3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.939 13.624 5.740 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.559 10.924 1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.274 10.823 5.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.823 8.802 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.186 8.744 4.619 1.00 0.00 H new ATOM 395 N GLN A 24 0.814 16.139 2.232 1.00 0.00 N ATOM 396 CA GLN A 24 0.570 17.398 2.990 1.00 0.00 C ATOM 397 C GLN A 24 -0.137 17.075 4.307 1.00 0.00 C ATOM 398 O GLN A 24 -1.006 16.229 4.365 1.00 0.00 O ATOM 399 CB GLN A 24 -0.295 18.346 2.156 1.00 0.00 C ATOM 400 CG GLN A 24 0.516 19.596 1.803 1.00 0.00 C ATOM 401 CD GLN A 24 -0.125 20.306 0.609 1.00 0.00 C ATOM 402 OE1 GLN A 24 -0.066 19.823 -0.503 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.739 21.442 0.796 1.00 0.00 N ATOM 0 H GLN A 24 0.149 15.387 2.413 1.00 0.00 H new ATOM 0 HA GLN A 24 1.524 17.881 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.628 17.846 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.190 18.625 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.557 20.269 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.543 19.320 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.788 21.847 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.170 21.925 0.007 1.00 0.00 H new ATOM 412 N GLY A 25 0.229 17.743 5.368 1.00 0.00 N ATOM 413 CA GLY A 25 -0.423 17.474 6.680 1.00 0.00 C ATOM 414 C GLY A 25 0.531 16.682 7.576 1.00 0.00 C ATOM 415 O GLY A 25 0.116 15.852 8.360 1.00 0.00 O ATOM 0 H GLY A 25 0.951 18.463 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.694 18.413 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.346 16.914 6.530 1.00 0.00 H new ATOM 419 N GLY A 26 1.807 16.930 7.467 1.00 0.00 N ATOM 420 CA GLY A 26 2.786 16.190 8.315 1.00 0.00 C ATOM 421 C GLY A 26 3.942 15.696 7.444 1.00 0.00 C ATOM 422 O GLY A 26 4.228 14.517 7.386 1.00 0.00 O ATOM 0 H GLY A 26 2.215 17.613 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.163 16.839 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.297 15.346 8.802 1.00 0.00 H new ATOM 426 N GLN A 27 4.611 16.590 6.767 1.00 0.00 N ATOM 427 CA GLN A 27 5.748 16.171 5.901 1.00 0.00 C ATOM 428 C GLN A 27 6.678 15.246 6.690 1.00 0.00 C ATOM 429 O GLN A 27 7.622 14.698 6.158 1.00 0.00 O ATOM 430 CB GLN A 27 6.525 17.409 5.445 1.00 0.00 C ATOM 431 CG GLN A 27 7.855 16.976 4.822 1.00 0.00 C ATOM 432 CD GLN A 27 8.444 18.135 4.016 1.00 0.00 C ATOM 433 OE1 GLN A 27 7.721 18.895 3.404 1.00 0.00 O ATOM 434 NE2 GLN A 27 9.739 18.302 3.989 1.00 0.00 N ATOM 0 H GLN A 27 4.419 17.592 6.777 1.00 0.00 H new ATOM 0 HA GLN A 27 5.364 15.641 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.938 17.973 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.706 18.070 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.552 16.671 5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.702 16.111 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.346 17.664 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.143 19.071 3.454 1.00 0.00 H new ATOM 443 N LYS A 28 6.416 15.065 7.956 1.00 0.00 N ATOM 444 CA LYS A 28 7.283 14.173 8.775 1.00 0.00 C ATOM 445 C LYS A 28 6.787 12.732 8.649 1.00 0.00 C ATOM 446 O LYS A 28 7.525 11.789 8.857 1.00 0.00 O ATOM 447 CB LYS A 28 7.223 14.606 10.242 1.00 0.00 C ATOM 448 CG LYS A 28 5.854 14.252 10.825 1.00 0.00 C ATOM 449 CD LYS A 28 5.664 14.980 12.156 1.00 0.00 C ATOM 450 CE LYS A 28 4.764 16.198 11.949 1.00 0.00 C ATOM 451 NZ LYS A 28 3.336 15.772 11.981 1.00 0.00 N ATOM 0 H LYS A 28 5.640 15.496 8.458 1.00 0.00 H new ATOM 0 HA LYS A 28 8.312 14.239 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.011 14.111 10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.398 15.679 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.066 14.535 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.777 13.175 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.220 14.307 12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.630 15.292 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.951 16.938 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.991 16.674 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.723 16.600 11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.163 15.081 11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.124 15.337 12.902 1.00 0.00 H new ATOM 465 N ASN A 29 5.542 12.555 8.307 1.00 0.00 N ATOM 466 CA ASN A 29 5.000 11.175 8.164 1.00 0.00 C ATOM 467 C ASN A 29 5.548 10.548 6.882 1.00 0.00 C ATOM 468 O ASN A 29 5.916 9.392 6.855 1.00 0.00 O ATOM 469 CB ASN A 29 3.472 11.232 8.094 1.00 0.00 C ATOM 470 CG ASN A 29 2.922 11.828 9.392 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.607 12.562 10.075 1.00 0.00 O ATOM 472 ND2 ASN A 29 1.704 11.539 9.763 1.00 0.00 N ATOM 0 H ASN A 29 4.877 13.305 8.120 1.00 0.00 H new ATOM 0 HA ASN A 29 5.300 10.573 9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.159 11.837 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.067 10.232 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.328 11.930 10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.129 10.922 9.189 1.00 0.00 H new ATOM 479 N MET A 30 5.608 11.304 5.821 1.00 0.00 N ATOM 480 CA MET A 30 6.135 10.753 4.540 1.00 0.00 C ATOM 481 C MET A 30 7.258 9.757 4.833 1.00 0.00 C ATOM 482 O MET A 30 7.331 8.697 4.244 1.00 0.00 O ATOM 483 CB MET A 30 6.682 11.895 3.681 1.00 0.00 C ATOM 484 CG MET A 30 7.373 11.317 2.444 1.00 0.00 C ATOM 485 SD MET A 30 7.392 12.558 1.127 1.00 0.00 S ATOM 486 CE MET A 30 9.157 12.952 1.211 1.00 0.00 C ATOM 0 H MET A 30 5.315 12.280 5.785 1.00 0.00 H new ATOM 0 HA MET A 30 5.331 10.247 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.871 12.559 3.381 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.387 12.493 4.258 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.392 11.017 2.690 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.850 10.422 2.107 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.396 13.713 0.468 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.399 13.327 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.740 12.053 1.010 1.00 0.00 H new ATOM 496 N ASN A 31 8.135 10.090 5.739 1.00 0.00 N ATOM 497 CA ASN A 31 9.254 9.164 6.068 1.00 0.00 C ATOM 498 C ASN A 31 8.735 8.027 6.951 1.00 0.00 C ATOM 499 O ASN A 31 9.023 6.869 6.720 1.00 0.00 O ATOM 500 CB ASN A 31 10.346 9.933 6.814 1.00 0.00 C ATOM 501 CG ASN A 31 10.487 11.330 6.207 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.986 11.566 5.024 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 11.057 12.214 6.813 1.00 0.00 N flip ATOM 0 H ASN A 31 8.125 10.963 6.266 1.00 0.00 H new ATOM 0 HA ASN A 31 9.665 8.748 5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.096 10.008 7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.293 9.398 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.448 12.029 7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.145 13.142 6.398 1.00 0.00 H new ATOM 510 N LYS A 32 7.974 8.345 7.961 1.00 0.00 N ATOM 511 CA LYS A 32 7.441 7.280 8.857 1.00 0.00 C ATOM 512 C LYS A 32 6.528 6.346 8.061 1.00 0.00 C ATOM 513 O LYS A 32 6.488 5.156 8.293 1.00 0.00 O ATOM 514 CB LYS A 32 6.644 7.922 9.995 1.00 0.00 C ATOM 515 CG LYS A 32 7.569 8.801 10.838 1.00 0.00 C ATOM 516 CD LYS A 32 8.127 7.983 12.004 1.00 0.00 C ATOM 517 CE LYS A 32 9.424 8.624 12.503 1.00 0.00 C ATOM 518 NZ LYS A 32 9.135 9.991 13.021 1.00 0.00 N ATOM 0 H LYS A 32 7.698 9.296 8.205 1.00 0.00 H new ATOM 0 HA LYS A 32 8.272 6.708 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.828 8.520 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.193 7.149 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.385 9.182 10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.023 9.666 11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.397 7.937 12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.315 6.958 11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.866 8.012 13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.151 8.677 11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.949 10.334 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.960 10.635 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.294 9.960 13.632 1.00 0.00 H new ATOM 532 N VAL A 33 5.789 6.877 7.124 1.00 0.00 N ATOM 533 CA VAL A 33 4.878 6.017 6.318 1.00 0.00 C ATOM 534 C VAL A 33 5.670 5.331 5.203 1.00 0.00 C ATOM 535 O VAL A 33 5.349 4.236 4.785 1.00 0.00 O ATOM 536 CB VAL A 33 3.778 6.881 5.701 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.125 7.734 6.791 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.388 7.795 4.636 1.00 0.00 C ATOM 0 H VAL A 33 5.777 7.868 6.883 1.00 0.00 H new ATOM 0 HA VAL A 33 4.431 5.260 6.963 1.00 0.00 H new ATOM 0 HB VAL A 33 3.025 6.239 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.341 8.350 6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.692 7.084 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.877 8.377 7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.605 8.412 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.140 8.436 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.853 7.188 3.859 1.00 0.00 H new ATOM 548 N ASP A 34 6.701 5.965 4.716 1.00 0.00 N ATOM 549 CA ASP A 34 7.507 5.349 3.626 1.00 0.00 C ATOM 550 C ASP A 34 7.986 3.962 4.061 1.00 0.00 C ATOM 551 O ASP A 34 7.837 2.992 3.346 1.00 0.00 O ATOM 552 CB ASP A 34 8.718 6.234 3.323 1.00 0.00 C ATOM 553 CG ASP A 34 9.654 5.503 2.360 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.199 4.575 1.713 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.812 5.882 2.289 1.00 0.00 O ATOM 0 H ASP A 34 7.020 6.883 5.026 1.00 0.00 H new ATOM 0 HA ASP A 34 6.891 5.255 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.392 7.177 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.245 6.476 4.246 1.00 0.00 H new ATOM 560 N HIS A 35 8.561 3.860 5.229 1.00 0.00 N ATOM 561 CA HIS A 35 9.049 2.536 5.706 1.00 0.00 C ATOM 562 C HIS A 35 7.859 1.592 5.884 1.00 0.00 C ATOM 563 O HIS A 35 7.968 0.396 5.699 1.00 0.00 O ATOM 564 CB HIS A 35 9.769 2.708 7.045 1.00 0.00 C ATOM 565 CG HIS A 35 10.849 1.669 7.169 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.877 0.532 6.374 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.948 1.580 7.989 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.960 -0.184 6.727 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.644 0.410 7.706 1.00 0.00 N ATOM 0 H HIS A 35 8.713 4.637 5.873 1.00 0.00 H new ATOM 0 HA HIS A 35 9.741 2.118 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.200 3.707 7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.060 2.611 7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.228 2.306 8.738 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.241 -1.123 6.274 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.498 0.076 8.153 1.00 0.00 H new ATOM 578 N HIS A 36 6.720 2.121 6.241 1.00 0.00 N ATOM 579 CA HIS A 36 5.523 1.255 6.431 1.00 0.00 C ATOM 580 C HIS A 36 5.198 0.535 5.120 1.00 0.00 C ATOM 581 O HIS A 36 4.993 -0.661 5.092 1.00 0.00 O ATOM 582 CB HIS A 36 4.329 2.120 6.845 1.00 0.00 C ATOM 583 CG HIS A 36 4.208 2.126 8.343 1.00 0.00 C ATOM 584 ND1 HIS A 36 2.998 1.921 8.991 1.00 0.00 N ATOM 585 CD2 HIS A 36 5.139 2.311 9.338 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.229 1.988 10.315 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.515 2.223 10.577 1.00 0.00 N ATOM 0 H HIS A 36 6.567 3.115 6.409 1.00 0.00 H new ATOM 0 HA HIS A 36 5.728 0.519 7.208 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.459 3.137 6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.414 1.733 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.191 2.496 9.181 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.468 1.867 11.071 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.950 2.318 11.495 1.00 0.00 H new ATOM 596 N LEU A 37 5.147 1.257 4.035 1.00 0.00 N ATOM 597 CA LEU A 37 4.832 0.616 2.727 1.00 0.00 C ATOM 598 C LEU A 37 6.072 -0.097 2.186 1.00 0.00 C ATOM 599 O LEU A 37 6.046 -1.281 1.918 1.00 0.00 O ATOM 600 CB LEU A 37 4.384 1.685 1.729 1.00 0.00 C ATOM 601 CG LEU A 37 2.860 1.800 1.758 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.452 3.248 1.491 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.261 0.899 0.677 1.00 0.00 C ATOM 0 H LEU A 37 5.310 2.263 3.997 1.00 0.00 H new ATOM 0 HA LEU A 37 4.032 -0.111 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.837 2.644 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.721 1.425 0.725 1.00 0.00 H new ATOM 0 HG LEU A 37 2.492 1.492 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.365 3.330 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.879 3.894 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.820 3.555 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.174 0.980 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.630 1.209 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.551 -0.135 0.863 1.00 0.00 H new ATOM 615 N GLN A 38 7.157 0.610 2.015 1.00 0.00 N ATOM 616 CA GLN A 38 8.388 -0.041 1.484 1.00 0.00 C ATOM 617 C GLN A 38 8.485 -1.463 2.038 1.00 0.00 C ATOM 618 O GLN A 38 8.979 -2.361 1.388 1.00 0.00 O ATOM 619 CB GLN A 38 9.622 0.762 1.903 1.00 0.00 C ATOM 620 CG GLN A 38 10.528 0.970 0.688 1.00 0.00 C ATOM 621 CD GLN A 38 11.922 1.394 1.153 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.821 0.581 1.236 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.142 2.644 1.461 1.00 0.00 N ATOM 0 H GLN A 38 7.244 1.606 2.219 1.00 0.00 H new ATOM 0 HA GLN A 38 8.340 -0.076 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.320 1.725 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.163 0.235 2.688 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.592 0.050 0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.105 1.731 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.387 3.327 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.068 2.937 1.771 1.00 0.00 H new ATOM 632 N ASN A 39 8.006 -1.676 3.234 1.00 0.00 N ATOM 633 CA ASN A 39 8.061 -3.043 3.822 1.00 0.00 C ATOM 634 C ASN A 39 6.967 -3.898 3.180 1.00 0.00 C ATOM 635 O ASN A 39 7.149 -5.071 2.924 1.00 0.00 O ATOM 636 CB ASN A 39 7.832 -2.963 5.332 1.00 0.00 C ATOM 637 CG ASN A 39 9.125 -3.326 6.063 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.859 -2.457 6.493 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.439 -4.582 6.225 1.00 0.00 N ATOM 0 H ASN A 39 7.580 -0.964 3.827 1.00 0.00 H new ATOM 0 HA ASN A 39 9.038 -3.489 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.514 -1.958 5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.032 -3.643 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.299 -4.834 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.824 -5.312 5.865 1.00 0.00 H new ATOM 646 N VAL A 40 5.831 -3.310 2.911 1.00 0.00 N ATOM 647 CA VAL A 40 4.724 -4.077 2.277 1.00 0.00 C ATOM 648 C VAL A 40 5.076 -4.338 0.811 1.00 0.00 C ATOM 649 O VAL A 40 5.105 -5.466 0.360 1.00 0.00 O ATOM 650 CB VAL A 40 3.430 -3.262 2.354 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.274 -4.076 1.764 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.125 -2.934 3.818 1.00 0.00 C ATOM 0 H VAL A 40 5.624 -2.330 3.104 1.00 0.00 H new ATOM 0 HA VAL A 40 4.585 -5.024 2.798 1.00 0.00 H new ATOM 0 HB VAL A 40 3.548 -2.338 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.354 -3.494 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.491 -4.314 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.154 -5.000 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.204 -2.354 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.007 -3.860 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.946 -2.355 4.240 1.00 0.00 H new ATOM 662 N ILE A 41 5.348 -3.302 0.063 1.00 0.00 N ATOM 663 CA ILE A 41 5.702 -3.494 -1.371 1.00 0.00 C ATOM 664 C ILE A 41 6.521 -4.777 -1.529 1.00 0.00 C ATOM 665 O ILE A 41 6.393 -5.492 -2.501 1.00 0.00 O ATOM 666 CB ILE A 41 6.535 -2.309 -1.860 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.609 -1.149 -2.239 1.00 0.00 C ATOM 668 CG2 ILE A 41 7.332 -2.741 -3.089 1.00 0.00 C ATOM 669 CD1 ILE A 41 4.870 -0.656 -0.995 1.00 0.00 C ATOM 0 H ILE A 41 5.340 -2.334 0.383 1.00 0.00 H new ATOM 0 HA ILE A 41 4.786 -3.565 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 41 7.212 -1.984 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.188 -0.336 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.894 -1.473 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.931 -1.904 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.989 -3.569 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.646 -3.059 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.212 0.169 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.278 -1.470 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.593 -0.315 -0.254 1.00 0.00 H new ATOM 681 N GLU A 42 7.371 -5.070 -0.581 1.00 0.00 N ATOM 682 CA GLU A 42 8.208 -6.300 -0.677 1.00 0.00 C ATOM 683 C GLU A 42 7.365 -7.531 -0.335 1.00 0.00 C ATOM 684 O GLU A 42 7.597 -8.613 -0.839 1.00 0.00 O ATOM 685 CB GLU A 42 9.378 -6.194 0.304 1.00 0.00 C ATOM 686 CG GLU A 42 10.693 -6.473 -0.429 1.00 0.00 C ATOM 687 CD GLU A 42 11.106 -5.236 -1.228 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.116 -4.159 -0.654 1.00 0.00 O ATOM 689 OE2 GLU A 42 11.407 -5.385 -2.401 1.00 0.00 O ATOM 0 H GLU A 42 7.522 -4.509 0.257 1.00 0.00 H new ATOM 0 HA GLU A 42 8.589 -6.399 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.403 -5.199 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.247 -6.905 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.472 -6.733 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.575 -7.327 -1.096 1.00 0.00 H new ATOM 696 N ASP A 43 6.391 -7.381 0.520 1.00 0.00 N ATOM 697 CA ASP A 43 5.541 -8.548 0.893 1.00 0.00 C ATOM 698 C ASP A 43 4.828 -9.085 -0.351 1.00 0.00 C ATOM 699 O ASP A 43 4.782 -10.276 -0.586 1.00 0.00 O ATOM 700 CB ASP A 43 4.503 -8.107 1.926 1.00 0.00 C ATOM 701 CG ASP A 43 3.837 -9.340 2.541 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.139 -10.033 1.820 1.00 0.00 O ATOM 703 OD2 ASP A 43 4.038 -9.569 3.722 1.00 0.00 O ATOM 0 H ASP A 43 6.147 -6.502 0.976 1.00 0.00 H new ATOM 0 HA ASP A 43 6.167 -9.334 1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.980 -7.512 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.752 -7.472 1.455 1.00 0.00 H new ATOM 708 N ILE A 44 4.269 -8.216 -1.148 1.00 0.00 N ATOM 709 CA ILE A 44 3.556 -8.675 -2.373 1.00 0.00 C ATOM 710 C ILE A 44 4.524 -9.445 -3.271 1.00 0.00 C ATOM 711 O ILE A 44 4.285 -10.582 -3.623 1.00 0.00 O ATOM 712 CB ILE A 44 3.013 -7.463 -3.130 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.255 -6.553 -2.161 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.070 -7.929 -4.240 1.00 0.00 C ATOM 715 CD1 ILE A 44 3.079 -5.289 -1.912 1.00 0.00 C ATOM 0 H ILE A 44 4.275 -7.206 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 44 2.730 -9.327 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 44 3.843 -6.911 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.281 -6.291 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.072 -7.074 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.685 -7.063 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.613 -8.573 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.240 -8.484 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.544 -4.636 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.042 -5.562 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.239 -4.767 -2.855 1.00 0.00 H new ATOM 727 N HIS A 45 5.617 -8.840 -3.645 1.00 0.00 N ATOM 728 CA HIS A 45 6.593 -9.550 -4.516 1.00 0.00 C ATOM 729 C HIS A 45 6.937 -10.896 -3.879 1.00 0.00 C ATOM 730 O HIS A 45 7.284 -11.845 -4.553 1.00 0.00 O ATOM 731 CB HIS A 45 7.864 -8.707 -4.655 1.00 0.00 C ATOM 732 CG HIS A 45 8.253 -8.617 -6.107 1.00 0.00 C ATOM 733 ND1 HIS A 45 7.815 -9.536 -7.050 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.040 -7.723 -6.792 1.00 0.00 C ATOM 735 CE1 HIS A 45 8.334 -9.178 -8.239 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.086 -8.082 -8.134 1.00 0.00 N ATOM 0 H HIS A 45 5.876 -7.888 -3.386 1.00 0.00 H new ATOM 0 HA HIS A 45 6.160 -9.709 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.697 -7.709 -4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.674 -9.153 -4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.544 -6.874 -6.356 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.163 -9.712 -9.162 1.00 0.00 H new ATOM 0 HE2 HIS A 45 9.590 -7.606 -8.882 1.00 0.00 H new ATOM 745 N ASP A 46 6.839 -10.985 -2.579 1.00 0.00 N ATOM 746 CA ASP A 46 7.154 -12.267 -1.892 1.00 0.00 C ATOM 747 C ASP A 46 5.912 -13.162 -1.893 1.00 0.00 C ATOM 748 O ASP A 46 5.952 -14.295 -1.457 1.00 0.00 O ATOM 749 CB ASP A 46 7.578 -11.984 -0.449 1.00 0.00 C ATOM 750 CG ASP A 46 7.901 -13.303 0.256 1.00 0.00 C ATOM 751 OD1 ASP A 46 8.450 -14.180 -0.391 1.00 0.00 O ATOM 752 OD2 ASP A 46 7.595 -13.414 1.432 1.00 0.00 O ATOM 0 H ASP A 46 6.554 -10.223 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 46 7.967 -12.770 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.450 -11.330 -0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.780 -11.462 0.080 1.00 0.00 H new ATOM 757 N PHE A 47 4.811 -12.665 -2.386 1.00 0.00 N ATOM 758 CA PHE A 47 3.572 -13.489 -2.421 1.00 0.00 C ATOM 759 C PHE A 47 3.661 -14.452 -3.603 1.00 0.00 C ATOM 760 O PHE A 47 3.106 -15.532 -3.585 1.00 0.00 O ATOM 761 CB PHE A 47 2.359 -12.570 -2.590 1.00 0.00 C ATOM 762 CG PHE A 47 1.083 -13.352 -2.372 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.545 -13.468 -1.086 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.437 -13.956 -3.458 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.638 -14.188 -0.884 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.745 -14.676 -3.256 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.283 -14.793 -1.970 1.00 0.00 C ATOM 0 H PHE A 47 4.717 -11.723 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 47 3.466 -14.052 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.416 -11.745 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.361 -12.132 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.043 -13.002 -0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.851 -13.866 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.053 -14.277 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.243 -15.142 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.195 -15.350 -1.815 1.00 0.00 H new ATOM 777 N MET A 48 4.367 -14.065 -4.630 1.00 0.00 N ATOM 778 CA MET A 48 4.508 -14.951 -5.820 1.00 0.00 C ATOM 779 C MET A 48 5.478 -16.091 -5.495 1.00 0.00 C ATOM 780 O MET A 48 5.352 -17.188 -6.002 1.00 0.00 O ATOM 781 CB MET A 48 5.049 -14.142 -7.001 1.00 0.00 C ATOM 782 CG MET A 48 6.407 -13.539 -6.635 1.00 0.00 C ATOM 783 SD MET A 48 7.680 -14.213 -7.731 1.00 0.00 S ATOM 784 CE MET A 48 7.784 -12.796 -8.851 1.00 0.00 C ATOM 0 H MET A 48 4.854 -13.171 -4.696 1.00 0.00 H new ATOM 0 HA MET A 48 3.534 -15.365 -6.081 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.149 -14.782 -7.877 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.348 -13.350 -7.263 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.371 -12.453 -6.726 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.649 -13.764 -5.596 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.183 -13.120 -9.812 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.790 -12.373 -8.995 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.441 -12.040 -8.421 1.00 0.00 H new ATOM 794 N GLN A 49 6.442 -15.841 -4.652 1.00 0.00 N ATOM 795 CA GLN A 49 7.415 -16.911 -4.296 1.00 0.00 C ATOM 796 C GLN A 49 7.086 -17.448 -2.904 1.00 0.00 C ATOM 797 O GLN A 49 7.201 -18.628 -2.640 1.00 0.00 O ATOM 798 CB GLN A 49 8.835 -16.339 -4.306 1.00 0.00 C ATOM 799 CG GLN A 49 8.990 -15.328 -3.167 1.00 0.00 C ATOM 800 CD GLN A 49 9.771 -14.114 -3.665 1.00 0.00 C ATOM 801 OE1 GLN A 49 9.148 -13.191 -4.343 1.00 0.00 O flip ATOM 802 NE2 GLN A 49 10.958 -14.002 -3.434 1.00 0.00 N flip ATOM 0 H GLN A 49 6.598 -14.943 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 49 7.351 -17.720 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.562 -17.143 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.037 -15.858 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.009 -15.019 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.510 -15.788 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.445 -14.725 -2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.468 -13.185 -3.770 1.00 0.00 H new ATOM 811 N GLY A 50 6.669 -16.592 -2.011 1.00 0.00 N ATOM 812 CA GLY A 50 6.325 -17.061 -0.640 1.00 0.00 C ATOM 813 C GLY A 50 5.289 -18.180 -0.743 1.00 0.00 C ATOM 814 O GLY A 50 4.847 -18.727 0.248 1.00 0.00 O ATOM 0 H GLY A 50 6.552 -15.591 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.219 -17.421 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.930 -16.236 -0.048 1.00 0.00 H new ATOM 818 N GLY A 51 4.898 -18.522 -1.941 1.00 0.00 N ATOM 819 CA GLY A 51 3.890 -19.604 -2.118 1.00 0.00 C ATOM 820 C GLY A 51 2.489 -18.994 -2.148 1.00 0.00 C ATOM 821 O GLY A 51 1.671 -19.332 -2.980 1.00 0.00 O ATOM 0 H GLY A 51 5.234 -18.098 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.082 -20.147 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.967 -20.325 -1.304 1.00 0.00 H new ATOM 825 N GLY A 52 2.204 -18.099 -1.243 1.00 0.00 N ATOM 826 CA GLY A 52 0.855 -17.469 -1.211 1.00 0.00 C ATOM 827 C GLY A 52 0.303 -17.576 0.207 1.00 0.00 C ATOM 828 O GLY A 52 -0.797 -17.148 0.496 1.00 0.00 O ATOM 0 H GLY A 52 2.850 -17.776 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.918 -16.424 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.188 -17.966 -1.915 1.00 0.00 H new ATOM 832 N SER A 53 1.072 -18.145 1.092 1.00 0.00 N ATOM 833 CA SER A 53 0.622 -18.293 2.502 1.00 0.00 C ATOM 834 C SER A 53 -0.254 -17.102 2.890 1.00 0.00 C ATOM 835 O SER A 53 0.237 -16.055 3.261 1.00 0.00 O ATOM 836 CB SER A 53 1.846 -18.339 3.414 1.00 0.00 C ATOM 837 OG SER A 53 2.163 -19.693 3.707 1.00 0.00 O ATOM 0 H SER A 53 2.001 -18.517 0.896 1.00 0.00 H new ATOM 0 HA SER A 53 0.047 -19.213 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.693 -17.852 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.648 -17.792 4.336 1.00 0.00 H new ATOM 0 HG SER A 53 2.949 -19.726 4.291 1.00 0.00 H new ATOM 843 N GLY A 54 -1.547 -17.252 2.815 1.00 0.00 N ATOM 844 CA GLY A 54 -2.444 -16.125 3.188 1.00 0.00 C ATOM 845 C GLY A 54 -2.000 -15.561 4.538 1.00 0.00 C ATOM 846 O GLY A 54 -2.441 -14.511 4.960 1.00 0.00 O ATOM 0 H GLY A 54 -2.020 -18.104 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.409 -15.347 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.477 -16.469 3.245 1.00 0.00 H new ATOM 850 N GLY A 55 -1.118 -16.248 5.213 1.00 0.00 N ATOM 851 CA GLY A 55 -0.633 -15.751 6.529 1.00 0.00 C ATOM 852 C GLY A 55 0.491 -14.745 6.290 1.00 0.00 C ATOM 853 O GLY A 55 0.669 -13.806 7.040 1.00 0.00 O ATOM 0 H GLY A 55 -0.713 -17.133 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.449 -15.282 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.274 -16.581 7.137 1.00 0.00 H new ATOM 857 N LYS A 56 1.244 -14.931 5.240 1.00 0.00 N ATOM 858 CA LYS A 56 2.347 -13.981 4.943 1.00 0.00 C ATOM 859 C LYS A 56 1.742 -12.671 4.446 1.00 0.00 C ATOM 860 O LYS A 56 2.330 -11.613 4.567 1.00 0.00 O ATOM 861 CB LYS A 56 3.263 -14.570 3.867 1.00 0.00 C ATOM 862 CG LYS A 56 4.549 -15.085 4.518 1.00 0.00 C ATOM 863 CD LYS A 56 4.231 -16.310 5.380 1.00 0.00 C ATOM 864 CE LYS A 56 5.449 -16.664 6.235 1.00 0.00 C ATOM 865 NZ LYS A 56 5.074 -17.714 7.225 1.00 0.00 N ATOM 0 H LYS A 56 1.141 -15.700 4.577 1.00 0.00 H new ATOM 0 HA LYS A 56 2.934 -13.801 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.755 -15.382 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.499 -13.812 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.278 -15.346 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.997 -14.303 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.372 -16.105 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.961 -17.154 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.261 -17.021 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.814 -15.776 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.902 -17.955 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.313 -17.358 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.745 -18.563 6.723 1.00 0.00 H new ATOM 879 N LEU A 57 0.559 -12.732 3.897 1.00 0.00 N ATOM 880 CA LEU A 57 -0.097 -11.491 3.404 1.00 0.00 C ATOM 881 C LEU A 57 -0.754 -10.778 4.585 1.00 0.00 C ATOM 882 O LEU A 57 -0.501 -9.619 4.841 1.00 0.00 O ATOM 883 CB LEU A 57 -1.163 -11.847 2.367 1.00 0.00 C ATOM 884 CG LEU A 57 -1.504 -10.600 1.551 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.517 -10.958 0.466 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.101 -9.534 2.472 1.00 0.00 C ATOM 0 H LEU A 57 0.020 -13.588 3.769 1.00 0.00 H new ATOM 0 HA LEU A 57 0.646 -10.841 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.800 -12.638 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.056 -12.228 2.862 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.597 -10.214 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.759 -10.068 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.093 -11.716 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.424 -11.346 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.344 -8.645 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.007 -9.922 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.378 -9.275 3.245 1.00 0.00 H new ATOM 898 N GLN A 58 -1.589 -11.463 5.317 1.00 0.00 N ATOM 899 CA GLN A 58 -2.243 -10.814 6.483 1.00 0.00 C ATOM 900 C GLN A 58 -1.162 -10.172 7.353 1.00 0.00 C ATOM 901 O GLN A 58 -1.446 -9.445 8.284 1.00 0.00 O ATOM 902 CB GLN A 58 -3.011 -11.861 7.295 1.00 0.00 C ATOM 903 CG GLN A 58 -4.460 -11.922 6.804 1.00 0.00 C ATOM 904 CD GLN A 58 -4.494 -11.719 5.288 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.865 -10.564 4.804 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -4.177 -12.619 4.535 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.844 -12.438 5.158 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.944 -10.053 6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.538 -12.837 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.985 -11.607 8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.903 -12.884 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.055 -11.154 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.887 -13.521 4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.201 -12.472 3.526 1.00 0.00 H new ATOM 915 N GLU A 59 0.081 -10.430 7.045 1.00 0.00 N ATOM 916 CA GLU A 59 1.187 -9.829 7.838 1.00 0.00 C ATOM 917 C GLU A 59 1.367 -8.373 7.407 1.00 0.00 C ATOM 918 O GLU A 59 1.222 -7.461 8.196 1.00 0.00 O ATOM 919 CB GLU A 59 2.482 -10.605 7.584 1.00 0.00 C ATOM 920 CG GLU A 59 3.129 -10.968 8.920 1.00 0.00 C ATOM 921 CD GLU A 59 4.491 -11.619 8.669 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.565 -12.476 7.804 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.435 -11.249 9.346 1.00 0.00 O ATOM 0 H GLU A 59 0.376 -11.032 6.277 1.00 0.00 H new ATOM 0 HA GLU A 59 0.948 -9.874 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.271 -11.509 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.168 -10.004 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.249 -10.074 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.485 -11.650 9.474 1.00 0.00 H new ATOM 930 N MET A 60 1.667 -8.147 6.155 1.00 0.00 N ATOM 931 CA MET A 60 1.835 -6.747 5.680 1.00 0.00 C ATOM 932 C MET A 60 0.485 -6.036 5.778 1.00 0.00 C ATOM 933 O MET A 60 0.400 -4.827 5.696 1.00 0.00 O ATOM 934 CB MET A 60 2.317 -6.749 4.226 1.00 0.00 C ATOM 935 CG MET A 60 1.353 -7.572 3.373 1.00 0.00 C ATOM 936 SD MET A 60 -0.169 -6.630 3.103 1.00 0.00 S ATOM 937 CE MET A 60 -0.398 -7.074 1.365 1.00 0.00 C ATOM 0 H MET A 60 1.802 -8.868 5.446 1.00 0.00 H new ATOM 0 HA MET A 60 2.573 -6.230 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.373 -5.728 3.849 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.322 -7.167 4.165 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.816 -7.818 2.417 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.126 -8.516 3.869 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.448 -6.958 1.095 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.212 -6.422 0.740 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.096 -8.110 1.211 1.00 0.00 H new ATOM 947 N MET A 61 -0.572 -6.781 5.963 1.00 0.00 N ATOM 948 CA MET A 61 -1.918 -6.153 6.078 1.00 0.00 C ATOM 949 C MET A 61 -1.885 -5.113 7.199 1.00 0.00 C ATOM 950 O MET A 61 -2.220 -3.961 7.001 1.00 0.00 O ATOM 951 CB MET A 61 -2.960 -7.226 6.404 1.00 0.00 C ATOM 952 CG MET A 61 -4.163 -6.581 7.097 1.00 0.00 C ATOM 953 SD MET A 61 -3.888 -6.564 8.887 1.00 0.00 S ATOM 954 CE MET A 61 -5.582 -6.953 9.388 1.00 0.00 C ATOM 0 H MET A 61 -0.560 -7.798 6.039 1.00 0.00 H new ATOM 0 HA MET A 61 -2.183 -5.673 5.136 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.280 -7.726 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.522 -7.988 7.048 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.306 -5.565 6.730 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.072 -7.135 6.863 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.605 -7.167 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.229 -6.102 9.174 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.934 -7.824 8.835 1.00 0.00 H new ATOM 964 N LYS A 62 -1.471 -5.506 8.374 1.00 0.00 N ATOM 965 CA LYS A 62 -1.404 -4.533 9.498 1.00 0.00 C ATOM 966 C LYS A 62 -0.694 -3.271 9.009 1.00 0.00 C ATOM 967 O LYS A 62 -1.129 -2.163 9.252 1.00 0.00 O ATOM 968 CB LYS A 62 -0.615 -5.145 10.660 1.00 0.00 C ATOM 969 CG LYS A 62 -1.512 -6.106 11.445 1.00 0.00 C ATOM 970 CD LYS A 62 -2.272 -5.332 12.525 1.00 0.00 C ATOM 971 CE LYS A 62 -3.631 -5.992 12.767 1.00 0.00 C ATOM 972 NZ LYS A 62 -3.435 -7.431 13.108 1.00 0.00 N ATOM 0 H LYS A 62 -1.178 -6.456 8.602 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.410 -4.288 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.258 -5.676 10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.247 -4.357 11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.215 -6.596 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.909 -6.891 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.695 -5.315 13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.409 -4.296 12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.154 -5.484 13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.255 -5.900 11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.301 -7.805 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.226 -7.968 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.642 -7.525 13.774 1.00 0.00 H new ATOM 986 N GLU A 63 0.396 -3.435 8.309 1.00 0.00 N ATOM 987 CA GLU A 63 1.139 -2.253 7.791 1.00 0.00 C ATOM 988 C GLU A 63 0.323 -1.602 6.670 1.00 0.00 C ATOM 989 O GLU A 63 -0.024 -0.439 6.730 1.00 0.00 O ATOM 990 CB GLU A 63 2.492 -2.709 7.237 1.00 0.00 C ATOM 991 CG GLU A 63 3.612 -1.855 7.837 1.00 0.00 C ATOM 992 CD GLU A 63 3.604 -1.994 9.360 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.165 -3.027 9.838 1.00 0.00 O ATOM 994 OE2 GLU A 63 4.038 -1.066 10.023 1.00 0.00 O ATOM 0 H GLU A 63 0.804 -4.340 8.074 1.00 0.00 H new ATOM 0 HA GLU A 63 1.299 -1.534 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.657 -3.760 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.498 -2.622 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.576 -2.170 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.477 -0.810 7.556 1.00 0.00 H new ATOM 1001 N PHE A 64 0.015 -2.353 5.648 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.780 -1.801 4.512 1.00 0.00 C ATOM 1003 C PHE A 64 -1.952 -0.975 5.056 1.00 0.00 C ATOM 1004 O PHE A 64 -2.200 0.131 4.619 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.332 -2.961 3.679 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.238 -2.627 2.209 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.566 -1.345 1.753 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -0.822 -3.606 1.300 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.476 -1.044 0.387 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.733 -3.306 -0.063 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.060 -2.024 -0.520 1.00 0.00 C ATOM 0 H PHE A 64 0.282 -3.333 5.550 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.142 -1.167 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.771 -3.872 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.369 -3.155 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.888 -0.588 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.569 -4.595 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.728 -0.055 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.412 -4.063 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.991 -1.792 -1.572 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.682 -1.515 5.997 1.00 0.00 N ATOM 1022 CA GLN A 65 -3.851 -0.778 6.562 1.00 0.00 C ATOM 1023 C GLN A 65 -3.377 0.309 7.532 1.00 0.00 C ATOM 1024 O GLN A 65 -4.126 1.199 7.885 1.00 0.00 O ATOM 1025 CB GLN A 65 -4.756 -1.759 7.310 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.114 -1.105 7.575 1.00 0.00 C ATOM 1027 CD GLN A 65 -6.818 -0.841 6.245 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -6.516 -1.573 5.208 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -7.649 0.040 6.145 1.00 0.00 N flip ATOM 0 H GLN A 65 -2.518 -2.438 6.400 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.401 -0.311 5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.887 -2.668 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.292 -2.052 8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.727 -1.754 8.201 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.980 -0.171 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.885 0.612 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.110 0.207 5.251 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.147 0.258 7.962 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.653 1.305 8.900 1.00 0.00 C ATOM 1040 C GLN A 66 -1.427 2.585 8.107 1.00 0.00 C ATOM 1041 O GLN A 66 -1.534 3.681 8.620 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.337 0.858 9.537 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.630 -0.108 10.686 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.498 0.626 12.021 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.462 1.163 12.530 1.00 0.00 O ATOM 1046 NE2 GLN A 66 0.663 0.673 12.616 1.00 0.00 N ATOM 0 H GLN A 66 -1.467 -0.458 7.707 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.384 1.472 9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.294 0.373 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.213 1.723 9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.635 -0.517 10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.062 -0.949 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.473 0.223 12.190 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.760 1.160 13.507 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.129 2.444 6.848 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.903 3.629 5.986 1.00 0.00 C ATOM 1057 C VAL A 67 -2.245 4.065 5.409 1.00 0.00 C ATOM 1058 O VAL A 67 -2.501 5.233 5.201 1.00 0.00 O ATOM 1059 CB VAL A 67 0.031 3.228 4.845 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.899 4.414 4.427 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.927 2.090 5.317 1.00 0.00 C ATOM 0 H VAL A 67 -1.032 1.545 6.376 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.460 4.444 6.558 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.565 2.909 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.559 4.113 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.261 5.232 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.497 4.744 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.598 1.796 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.514 2.420 6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.311 1.238 5.605 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.102 3.120 5.149 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.433 3.447 4.580 1.00 0.00 C ATOM 1073 C LEU A 68 -5.133 4.485 5.465 1.00 0.00 C ATOM 1074 O LEU A 68 -5.699 5.445 4.982 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.275 2.168 4.513 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.679 2.487 3.993 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.502 3.153 5.098 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.579 3.432 2.793 1.00 0.00 C ATOM 0 H LEU A 68 -2.934 2.127 5.308 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.314 3.860 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.794 1.441 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.340 1.714 5.502 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.167 1.561 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.500 3.378 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.578 2.479 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.014 4.077 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.579 3.658 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.087 4.356 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.999 2.956 2.002 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.104 4.297 6.757 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.774 5.271 7.667 1.00 0.00 C ATOM 1092 C ASP A 69 -4.803 6.401 8.029 1.00 0.00 C ATOM 1093 O ASP A 69 -5.169 7.357 8.685 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.220 4.551 8.941 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.305 5.373 9.640 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.642 6.429 9.129 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.780 4.934 10.675 1.00 0.00 O ATOM 0 H ASP A 69 -4.646 3.513 7.221 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.642 5.695 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.601 3.560 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.370 4.410 9.608 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.570 6.302 7.609 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.583 7.372 7.933 1.00 0.00 C ATOM 1104 C GLU A 70 -2.707 8.505 6.917 1.00 0.00 C ATOM 1105 O GLU A 70 -2.907 9.650 7.273 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.165 6.795 7.875 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.195 7.726 8.607 1.00 0.00 C ATOM 1108 CD GLU A 70 0.479 6.965 9.751 1.00 0.00 C ATOM 1109 OE1 GLU A 70 0.935 5.858 9.512 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.529 7.500 10.846 1.00 0.00 O ATOM 0 H GLU A 70 -3.204 5.527 7.056 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.782 7.755 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.147 5.805 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.854 6.674 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.557 8.102 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.730 8.592 8.998 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.594 8.200 5.655 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.709 9.270 4.628 1.00 0.00 C ATOM 1119 C ILE A 71 -4.109 9.878 4.700 1.00 0.00 C ATOM 1120 O ILE A 71 -4.279 11.080 4.637 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.470 8.691 3.231 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.801 7.314 3.338 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.561 9.639 2.450 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.995 7.035 2.068 1.00 0.00 C ATOM 0 H ILE A 71 -2.428 7.261 5.292 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.960 10.038 4.820 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.425 8.580 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.147 7.283 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.557 6.541 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.385 9.235 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.039 10.615 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.610 9.744 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.521 6.057 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.660 7.048 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.229 7.801 1.948 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.114 9.059 4.843 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.501 9.592 4.933 1.00 0.00 C ATOM 1138 C LYS A 72 -6.497 10.852 5.799 1.00 0.00 C ATOM 1139 O LYS A 72 -7.165 11.823 5.504 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.408 8.538 5.570 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.873 8.925 5.360 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.761 7.708 5.623 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.222 8.151 5.716 1.00 0.00 C ATOM 1144 NZ LYS A 72 -12.112 6.968 5.554 1.00 0.00 N ATOM 0 H LYS A 72 -5.034 8.044 4.901 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.870 9.833 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.213 7.561 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.193 8.455 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.145 9.740 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.023 9.286 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.642 6.978 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.459 7.218 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.407 8.630 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.439 8.890 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.105 7.270 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.942 6.530 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.911 6.277 6.305 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.742 10.847 6.864 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.689 12.047 7.745 1.00 0.00 C ATOM 1160 C GLN A 73 -5.012 13.194 6.992 1.00 0.00 C ATOM 1161 O GLN A 73 -5.453 14.324 7.033 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.886 11.719 9.006 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.787 11.005 10.014 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.052 10.865 11.348 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -3.905 10.465 11.385 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.666 11.185 12.455 1.00 0.00 N ATOM 0 H GLN A 73 -5.160 10.064 7.161 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.700 12.340 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.034 11.088 8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.487 12.634 9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.711 11.566 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.066 10.022 9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.629 11.521 12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.183 11.099 13.349 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.939 12.909 6.301 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.234 13.985 5.545 1.00 0.00 C ATOM 1177 C GLN A 74 -4.248 14.779 4.715 1.00 0.00 C ATOM 1178 O GLN A 74 -4.041 15.938 4.411 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.195 13.359 4.610 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.222 12.504 5.424 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.263 13.413 6.194 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.146 14.525 5.645 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 0.120 13.108 7.306 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.522 11.981 6.228 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.737 14.652 6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.691 12.747 3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.652 14.140 4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.773 11.868 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.661 11.843 4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.199 12.239 7.735 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.761 13.721 7.811 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.339 14.167 4.341 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.356 14.891 3.527 1.00 0.00 C ATOM 1194 C LEU A 75 -6.913 16.070 4.328 1.00 0.00 C ATOM 1195 O LEU A 75 -7.694 16.856 3.828 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.498 13.936 3.166 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.058 13.014 2.028 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.707 13.852 0.798 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.830 12.213 2.466 1.00 0.00 C ATOM 0 H LEU A 75 -5.569 13.199 4.564 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.889 15.262 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.780 13.345 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.379 14.504 2.867 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.870 12.330 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.393 13.194 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.581 14.423 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.896 14.537 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.516 11.556 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.018 12.897 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.080 11.615 3.342 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.520 16.206 5.565 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.032 17.339 6.386 1.00 0.00 C ATOM 1213 C GLN A 76 -6.231 18.601 6.065 1.00 0.00 C ATOM 1214 O GLN A 76 -6.425 19.641 6.662 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.886 17.003 7.872 1.00 0.00 C ATOM 1216 CG GLN A 76 -8.147 17.442 8.618 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.838 17.590 10.109 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -7.167 18.519 10.513 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -8.302 16.707 10.950 1.00 0.00 N ATOM 0 H GLN A 76 -5.868 15.583 6.042 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.084 17.508 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.728 15.932 8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.012 17.506 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.508 18.388 8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.941 16.710 8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.865 15.927 10.611 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.101 16.797 11.946 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.329 18.518 5.125 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.515 19.713 4.765 1.00 0.00 C ATOM 1230 C GLY A 77 -4.919 20.206 3.374 1.00 0.00 C ATOM 1231 O GLY A 77 -5.980 20.769 3.189 1.00 0.00 O ATOM 0 H GLY A 77 -5.121 17.674 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.665 20.503 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.454 19.462 4.779 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.082 20.000 2.396 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.419 20.460 1.019 1.00 0.00 C ATOM 1237 C GLY A 78 -3.947 19.419 0.004 1.00 0.00 C ATOM 1238 O GLY A 78 -3.749 19.717 -1.158 1.00 0.00 O ATOM 0 H GLY A 78 -3.180 19.533 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.495 20.611 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.944 21.420 0.819 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.763 18.201 0.430 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.301 17.145 -0.512 1.00 0.00 C ATOM 1244 C ASP A 79 -4.495 16.617 -1.315 1.00 0.00 C ATOM 1245 O ASP A 79 -4.858 15.461 -1.217 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.667 16.000 0.282 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.108 16.088 1.743 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -2.867 17.117 2.352 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -3.678 15.124 2.230 1.00 0.00 O ATOM 0 H ASP A 79 -3.913 17.891 1.390 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.564 17.563 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.965 15.041 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.580 16.055 0.215 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.107 17.454 -2.109 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.274 16.996 -2.917 1.00 0.00 C ATOM 1256 C ASN A 80 -5.813 15.932 -3.913 1.00 0.00 C ATOM 1257 O ASN A 80 -6.611 15.309 -4.586 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.874 18.183 -3.675 1.00 0.00 C ATOM 1259 CG ASN A 80 -7.408 19.211 -2.674 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -7.053 19.185 -1.512 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -8.253 20.120 -3.078 1.00 0.00 N ATOM 0 H ASN A 80 -4.850 18.433 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.031 16.574 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.118 18.640 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.678 17.843 -4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.615 20.809 -2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.551 20.142 -4.053 1.00 0.00 H new ATOM 1268 N SER A 81 -4.532 15.702 -3.995 1.00 0.00 N ATOM 1269 CA SER A 81 -4.021 14.663 -4.925 1.00 0.00 C ATOM 1270 C SER A 81 -4.203 13.311 -4.249 1.00 0.00 C ATOM 1271 O SER A 81 -4.605 12.341 -4.861 1.00 0.00 O ATOM 1272 CB SER A 81 -2.538 14.908 -5.206 1.00 0.00 C ATOM 1273 OG SER A 81 -2.287 14.729 -6.594 1.00 0.00 O ATOM 0 H SER A 81 -3.817 16.191 -3.456 1.00 0.00 H new ATOM 0 HA SER A 81 -4.561 14.693 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.260 15.917 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.927 14.219 -4.622 1.00 0.00 H new ATOM 0 HG SER A 81 -1.452 15.181 -6.836 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.935 13.253 -2.973 1.00 0.00 N ATOM 1280 CA LEU A 82 -4.117 11.982 -2.233 1.00 0.00 C ATOM 1281 C LEU A 82 -5.583 11.579 -2.336 1.00 0.00 C ATOM 1282 O LEU A 82 -5.913 10.426 -2.527 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.737 12.184 -0.773 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.226 12.035 -0.641 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.537 12.874 -1.716 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.780 12.517 0.735 1.00 0.00 C ATOM 0 H LEU A 82 -3.597 14.036 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.483 11.202 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.051 13.171 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.246 11.453 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.956 10.986 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.456 12.768 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.851 12.532 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.811 13.922 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.699 12.409 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.052 13.565 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.270 11.922 1.505 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.466 12.536 -2.233 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.913 12.219 -2.346 1.00 0.00 C ATOM 1300 C HIS A 83 -8.095 11.257 -3.516 1.00 0.00 C ATOM 1301 O HIS A 83 -9.026 10.477 -3.562 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.702 13.504 -2.614 1.00 0.00 C ATOM 1303 CG HIS A 83 -10.079 13.384 -2.019 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -11.225 13.340 -2.802 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.510 13.300 -0.718 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -12.280 13.234 -1.972 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.897 13.206 -0.695 1.00 0.00 N ATOM 0 H HIS A 83 -6.246 13.520 -2.076 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.275 11.769 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.182 14.359 -2.182 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.773 13.682 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.871 13.306 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.308 13.179 -2.300 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.496 13.131 0.127 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.193 11.301 -4.457 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.287 10.385 -5.625 1.00 0.00 C ATOM 1318 C ASN A 84 -6.378 9.179 -5.386 1.00 0.00 C ATOM 1319 O ASN A 84 -6.699 8.065 -5.748 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.843 11.119 -6.893 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.150 12.611 -6.756 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -6.867 13.212 -5.739 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.724 13.238 -7.745 1.00 0.00 N ATOM 0 H ASN A 84 -6.393 11.934 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.317 10.052 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.776 10.971 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.358 10.710 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.935 14.233 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.962 12.734 -8.599 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.243 9.393 -4.772 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.318 8.261 -4.504 1.00 0.00 C ATOM 1332 C VAL A 85 -4.704 7.597 -3.182 1.00 0.00 C ATOM 1333 O VAL A 85 -4.846 6.393 -3.102 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.884 8.789 -4.418 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.912 7.708 -4.882 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.737 10.016 -5.320 1.00 0.00 C ATOM 0 H VAL A 85 -4.920 10.304 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.386 7.530 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.663 9.062 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.891 8.086 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.013 6.830 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.136 7.435 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.716 10.392 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.961 9.739 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.430 10.792 -4.994 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.889 8.369 -2.144 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.278 7.768 -0.837 1.00 0.00 C ATOM 1348 C HIS A 86 -6.394 6.755 -1.086 1.00 0.00 C ATOM 1349 O HIS A 86 -6.670 5.901 -0.267 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.761 8.873 0.114 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.859 8.346 1.001 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -6.943 7.225 1.789 1.00 0.00 N flip ATOM 1353 CD2 HIS A 86 -8.069 9.009 1.153 1.00 0.00 C flip ATOM 1354 CE1 HIS A 86 -8.181 7.193 2.418 1.00 0.00 C flip ATOM 1355 NE2 HIS A 86 -8.821 8.288 2.005 1.00 0.00 N flip ATOM 0 H HIS A 86 -4.788 9.384 -2.145 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.425 7.268 -0.379 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.930 9.229 0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.124 9.725 -0.460 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -6.210 6.524 1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -8.355 9.934 0.675 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -8.548 6.439 3.099 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.029 6.838 -2.222 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.116 5.876 -2.541 1.00 0.00 C ATOM 1366 C GLU A 87 -7.501 4.639 -3.191 1.00 0.00 C ATOM 1367 O GLU A 87 -8.010 3.541 -3.071 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.106 6.523 -3.511 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.158 5.495 -3.929 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.300 6.199 -4.662 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.742 7.229 -4.178 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -11.714 5.698 -5.694 1.00 0.00 O ATOM 0 H GLU A 87 -6.840 7.533 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.642 5.595 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.587 7.380 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.579 6.897 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.708 4.741 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.542 4.975 -3.051 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.401 4.807 -3.875 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.745 3.641 -4.527 1.00 0.00 C ATOM 1381 C ASN A 88 -5.544 2.540 -3.489 1.00 0.00 C ATOM 1382 O ASN A 88 -6.122 1.476 -3.580 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.388 4.066 -5.094 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.510 4.264 -6.605 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -4.951 5.301 -7.060 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.136 3.307 -7.410 1.00 0.00 N ATOM 0 H ASN A 88 -5.930 5.702 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.372 3.272 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.057 4.990 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.636 3.308 -4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.214 3.430 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.766 2.436 -7.030 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.735 2.786 -2.494 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.516 1.749 -1.451 1.00 0.00 C ATOM 1395 C ILE A 89 -5.853 1.064 -1.166 1.00 0.00 C ATOM 1396 O ILE A 89 -5.963 -0.143 -1.210 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.967 2.413 -0.175 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.463 2.678 -0.349 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.190 1.505 1.043 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.766 2.655 1.015 1.00 0.00 C ATOM 0 H ILE A 89 -4.220 3.656 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.793 1.009 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.494 3.353 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.026 1.924 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.309 3.644 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.796 1.990 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.257 1.323 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.676 0.556 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.701 2.844 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.194 3.426 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.907 1.679 1.479 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.872 1.826 -0.878 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.201 1.213 -0.590 1.00 0.00 C ATOM 1414 C LYS A 90 -8.474 0.078 -1.582 1.00 0.00 C ATOM 1415 O LYS A 90 -8.646 -1.063 -1.200 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.293 2.277 -0.725 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.528 1.845 0.068 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.354 2.237 1.537 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.240 1.350 2.413 1.00 0.00 C ATOM 1420 NZ LYS A 90 -11.378 1.961 3.765 1.00 0.00 N ATOM 0 H LYS A 90 -6.843 2.844 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.200 0.814 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.929 3.236 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.552 2.416 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.420 2.318 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.670 0.768 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.310 2.129 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.619 3.285 1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.222 1.233 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.806 0.354 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.981 1.357 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.439 2.051 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.811 2.903 3.678 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.517 0.378 -2.852 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.782 -0.689 -3.861 1.00 0.00 C ATOM 1436 C GLU A 91 -7.532 -1.557 -4.029 1.00 0.00 C ATOM 1437 O GLU A 91 -7.603 -2.771 -4.035 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.138 -0.044 -5.203 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.660 0.054 -5.335 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.200 -1.212 -6.004 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.399 -2.074 -6.328 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.404 -1.298 -6.179 1.00 0.00 O ATOM 0 H GLU A 91 -8.380 1.314 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.612 -1.310 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.692 0.948 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.729 -0.635 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.113 0.179 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.928 0.931 -5.924 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.390 -0.943 -4.164 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.130 -1.723 -4.331 1.00 0.00 C ATOM 1451 C ILE A 92 -4.950 -2.676 -3.143 1.00 0.00 C ATOM 1452 O ILE A 92 -4.860 -3.876 -3.301 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.946 -0.750 -4.396 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.622 -0.443 -5.861 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.721 -1.369 -3.717 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.826 -1.603 -6.461 1.00 0.00 C ATOM 0 H ILE A 92 -6.274 0.070 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.178 -2.307 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.210 0.172 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.543 -0.290 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.048 0.481 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.885 -0.671 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.952 -1.582 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.452 -2.295 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.595 -1.385 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.898 -1.734 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.416 -2.517 -6.404 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.885 -2.143 -1.955 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.700 -3.007 -0.755 1.00 0.00 C ATOM 1470 C PHE A 93 -5.725 -4.143 -0.766 1.00 0.00 C ATOM 1471 O PHE A 93 -5.376 -5.305 -0.704 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.891 -2.159 0.502 1.00 0.00 C ATOM 1473 CG PHE A 93 -5.005 -3.052 1.707 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.031 -4.024 1.956 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -6.085 -2.902 2.580 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.137 -4.847 3.080 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -6.195 -3.724 3.703 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.221 -4.698 3.955 1.00 0.00 C ATOM 0 H PHE A 93 -4.952 -1.144 -1.762 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.698 -3.435 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.050 -1.476 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.788 -1.547 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.197 -4.138 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.835 -2.150 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.384 -5.597 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -7.031 -3.609 4.377 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.305 -5.334 4.824 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.986 -3.817 -0.838 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.031 -4.880 -0.842 1.00 0.00 C ATOM 1490 C HIS A 94 -7.934 -5.697 -2.131 1.00 0.00 C ATOM 1491 O HIS A 94 -8.662 -6.652 -2.326 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.415 -4.237 -0.746 1.00 0.00 C ATOM 1493 CG HIS A 94 -9.929 -4.366 0.662 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.425 -3.282 1.371 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.027 -5.446 1.506 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -10.797 -3.729 2.586 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -10.575 -5.038 2.717 1.00 0.00 N ATOM 0 H HIS A 94 -7.338 -2.861 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.876 -5.539 0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.360 -3.186 -1.030 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.102 -4.720 -1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.725 -6.455 1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.222 -3.105 3.358 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.767 -5.618 3.534 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.040 -5.343 -3.012 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.905 -6.116 -4.279 1.00 0.00 C ATOM 1508 C HIS A 95 -5.980 -7.310 -4.035 1.00 0.00 C ATOM 1509 O HIS A 95 -6.079 -8.329 -4.688 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.318 -5.220 -5.375 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.248 -5.189 -6.558 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.969 -5.868 -7.737 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.454 -4.565 -6.762 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.986 -5.636 -8.588 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.913 -4.848 -8.042 1.00 0.00 N ATOM 0 H HIS A 95 -6.400 -4.556 -2.911 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.885 -6.469 -4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.168 -4.211 -4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.340 -5.594 -5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.967 -3.949 -6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.044 -6.038 -9.589 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.778 -4.522 -8.474 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.084 -7.194 -3.091 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.162 -8.328 -2.799 1.00 0.00 C ATOM 1526 C LEU A 96 -4.921 -9.400 -2.017 1.00 0.00 C ATOM 1527 O LEU A 96 -4.992 -10.543 -2.422 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.976 -7.831 -1.971 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.676 -8.371 -2.571 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.526 -8.138 -1.592 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.821 -9.871 -2.835 1.00 0.00 C ATOM 0 H LEU A 96 -4.952 -6.365 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.791 -8.748 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.958 -6.741 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.077 -8.160 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.467 -7.854 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.400 -8.523 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.421 -7.070 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.735 -8.655 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.895 -10.256 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.030 -10.387 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.641 -10.040 -3.533 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.501 -9.040 -0.905 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.266 -10.039 -0.112 1.00 0.00 C ATOM 1545 C GLU A 97 -7.213 -10.786 -1.051 1.00 0.00 C ATOM 1546 O GLU A 97 -7.848 -11.752 -0.676 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.076 -9.318 0.968 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.814 -10.343 1.831 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.434 -9.636 3.039 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.763 -9.543 4.053 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.568 -9.202 2.927 1.00 0.00 O ATOM 0 H GLU A 97 -5.478 -8.099 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.583 -10.743 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.415 -8.714 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.790 -8.636 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.590 -10.836 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.124 -11.119 2.164 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.303 -10.347 -2.277 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.197 -11.029 -3.252 1.00 0.00 C ATOM 1560 C GLU A 98 -7.390 -12.080 -4.015 1.00 0.00 C ATOM 1561 O GLU A 98 -7.854 -13.178 -4.254 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.763 -10.003 -4.236 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.781 -10.683 -5.150 1.00 0.00 C ATOM 1564 CD GLU A 98 -11.181 -10.550 -4.547 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -11.269 -10.242 -3.369 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -12.139 -10.760 -5.272 1.00 0.00 O ATOM 0 H GLU A 98 -6.794 -9.543 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.021 -11.508 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.235 -9.184 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.958 -9.569 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.756 -10.229 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.526 -11.735 -5.275 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.179 -11.762 -4.389 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.347 -12.753 -5.121 1.00 0.00 C ATOM 1575 C LEU A 99 -5.118 -13.960 -4.214 1.00 0.00 C ATOM 1576 O LEU A 99 -4.496 -14.932 -4.593 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.004 -12.121 -5.486 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.075 -11.548 -6.903 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.279 -10.243 -6.970 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.480 -12.555 -7.889 1.00 0.00 C ATOM 0 H LEU A 99 -5.733 -10.860 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.853 -13.065 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.757 -11.332 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.211 -12.866 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.116 -11.352 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.331 -9.837 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.700 -9.524 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.238 -10.438 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.530 -12.148 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.440 -12.750 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.046 -13.486 -7.844 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.620 -13.896 -3.012 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.444 -15.026 -2.061 1.00 0.00 C ATOM 1594 C VAL A 100 -6.816 -15.539 -1.622 1.00 0.00 C ATOM 1595 O VAL A 100 -6.962 -16.666 -1.193 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.659 -14.540 -0.841 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.817 -13.331 -1.234 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.628 -14.132 0.266 1.00 0.00 C ATOM 0 H VAL A 100 -6.148 -13.103 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.897 -15.834 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.015 -15.343 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.256 -12.981 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.123 -13.613 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.469 -12.533 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.065 -13.786 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.272 -13.329 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.240 -14.989 0.548 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.819 -14.713 -1.714 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.177 -15.147 -1.290 1.00 0.00 C ATOM 1610 C HIS A 101 -9.554 -16.442 -2.016 1.00 0.00 C ATOM 1611 O HIS A 101 -10.618 -16.990 -1.812 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.193 -14.055 -1.629 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.561 -14.483 -1.173 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.532 -14.925 -2.061 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.135 -14.542 0.073 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.630 -15.227 -1.343 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.439 -15.011 -0.040 1.00 0.00 N ATOM 0 H HIS A 101 -7.757 -13.757 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.180 -15.323 -0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.913 -13.120 -1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.198 -13.869 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.649 -14.267 0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.551 -15.598 -1.768 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.109 -15.159 0.715 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.690 -16.933 -2.863 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.001 -18.191 -3.601 1.00 0.00 C ATOM 1628 C ARG A 102 -7.822 -19.160 -3.478 1.00 0.00 C ATOM 1629 O ARG A 102 -7.330 -19.595 -4.506 1.00 0.00 O ATOM 1630 CB ARG A 102 -9.246 -17.869 -5.077 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.262 -16.792 -5.536 1.00 0.00 C ATOM 1632 CD ARG A 102 -7.924 -17.004 -7.012 1.00 0.00 C ATOM 1633 NE ARG A 102 -7.360 -18.370 -7.203 1.00 0.00 N ATOM 1634 CZ ARG A 102 -6.126 -18.622 -6.856 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -5.389 -17.680 -6.335 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -5.630 -19.817 -7.030 1.00 0.00 N ATOM 1637 OXT ARG A 102 -7.434 -19.450 -2.359 1.00 0.00 O ATOM 0 H ARG A 102 -7.783 -16.518 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.894 -18.650 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.125 -18.768 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.270 -17.525 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.695 -15.803 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.354 -16.834 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.819 -16.880 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.206 -16.253 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.938 -19.108 -7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.776 -16.746 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.426 -17.877 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.206 -20.554 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.667 -20.014 -6.759 1.00 0.00 H new TER 1651 ARG A 102