USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 692 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 16 SER OG : rot 156:sc= -3.02! USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.216 (180deg=-0.456) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.363 (180deg=0.074) USER MOD Single : A 3 ASN : amide:sc= -0.942 K(o=-0.94,f=-2.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00137 K(o=-0.0014,f=-1.2) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -1.68! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.147 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD Single : A 50 TYR OH : rot -150:sc= 0.401 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.689 (180deg=-1.14) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 60 THR OG1 : rot 160:sc= -0.0265 USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0347) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.705 F(o=-1.7,f=-0.7) USER MOD Single : A 69 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.254) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.443 7.697 10.991 1.00 0.00 N ATOM 2 CA MET A 1 24.470 9.177 11.132 1.00 0.00 C ATOM 3 C MET A 1 23.059 9.757 11.117 1.00 0.00 C ATOM 4 O MET A 1 22.556 10.219 12.141 1.00 0.00 O ATOM 5 CB MET A 1 25.293 9.760 9.983 1.00 0.00 C ATOM 6 CG MET A 1 26.774 9.893 10.301 1.00 0.00 C ATOM 7 SD MET A 1 27.638 8.311 10.258 1.00 0.00 S ATOM 8 CE MET A 1 27.699 7.910 12.002 1.00 0.00 C ATOM 0 H1 MET A 1 25.387 7.357 10.717 1.00 0.00 H new ATOM 0 H2 MET A 1 24.169 7.267 11.897 1.00 0.00 H new ATOM 0 H3 MET A 1 23.754 7.430 10.259 1.00 0.00 H new ATOM 0 HA MET A 1 24.922 9.438 12.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.174 9.126 9.104 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.896 10.742 9.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.235 10.574 9.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.891 10.340 11.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.512 6.845 12.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.683 8.159 12.398 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.939 8.482 12.534 1.00 0.00 H new ATOM 20 N ASP A 2 22.427 9.732 9.948 1.00 0.00 N ATOM 21 CA ASP A 2 21.074 10.256 9.800 1.00 0.00 C ATOM 22 C ASP A 2 20.098 9.511 10.705 1.00 0.00 C ATOM 23 O ASP A 2 20.372 8.393 11.143 1.00 0.00 O ATOM 24 CB ASP A 2 20.624 10.154 8.345 1.00 0.00 C ATOM 25 CG ASP A 2 20.340 11.510 7.729 1.00 0.00 C ATOM 26 OD1 ASP A 2 19.231 12.041 7.948 1.00 0.00 O ATOM 27 OD2 ASP A 2 21.227 12.042 7.028 1.00 0.00 O ATOM 0 H ASP A 2 22.830 9.355 9.090 1.00 0.00 H new ATOM 0 HA ASP A 2 21.082 11.305 10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.396 9.649 7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.727 9.537 8.288 1.00 0.00 H new ATOM 32 N ASN A 3 18.959 10.137 10.981 1.00 0.00 N ATOM 33 CA ASN A 3 17.942 9.533 11.834 1.00 0.00 C ATOM 34 C ASN A 3 17.446 8.214 11.250 1.00 0.00 C ATOM 35 O ASN A 3 16.932 7.358 11.970 1.00 0.00 O ATOM 36 CB ASN A 3 16.773 10.496 12.028 1.00 0.00 C ATOM 37 CG ASN A 3 16.585 10.896 13.479 1.00 0.00 C ATOM 38 OD1 ASN A 3 15.744 10.340 14.184 1.00 0.00 O ATOM 39 ND2 ASN A 3 17.371 11.866 13.931 1.00 0.00 N ATOM 0 H ASN A 3 18.717 11.062 10.626 1.00 0.00 H new ATOM 0 HA ASN A 3 18.395 9.325 12.803 1.00 0.00 H new ATOM 0 HB2 ASN A 3 16.939 11.390 11.427 1.00 0.00 H new ATOM 0 HB3 ASN A 3 15.858 10.030 11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.291 12.178 14.899 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.055 12.299 13.310 1.00 0.00 H new ATOM 46 N ASP A 4 17.602 8.057 9.941 1.00 0.00 N ATOM 47 CA ASP A 4 17.170 6.844 9.258 1.00 0.00 C ATOM 48 C ASP A 4 17.995 5.638 9.699 1.00 0.00 C ATOM 49 O ASP A 4 17.562 4.494 9.563 1.00 0.00 O ATOM 50 CB ASP A 4 17.270 7.024 7.745 1.00 0.00 C ATOM 51 CG ASP A 4 15.922 6.916 7.059 1.00 0.00 C ATOM 52 OD1 ASP A 4 15.136 7.883 7.138 1.00 0.00 O ATOM 53 OD2 ASP A 4 15.653 5.864 6.441 1.00 0.00 O ATOM 0 H ASP A 4 18.025 8.756 9.330 1.00 0.00 H new ATOM 0 HA ASP A 4 16.130 6.660 9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.709 7.997 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.944 6.271 7.336 1.00 0.00 H new ATOM 58 N ALA A 5 19.187 5.901 10.225 1.00 0.00 N ATOM 59 CA ALA A 5 20.072 4.843 10.681 1.00 0.00 C ATOM 60 C ALA A 5 19.898 4.573 12.174 1.00 0.00 C ATOM 61 O ALA A 5 20.808 4.067 12.830 1.00 0.00 O ATOM 62 CB ALA A 5 21.518 5.197 10.372 1.00 0.00 C ATOM 0 H ALA A 5 19.560 6.843 10.345 1.00 0.00 H new ATOM 0 HA ALA A 5 19.807 3.931 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.171 4.396 10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 5 21.640 5.324 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 5 21.782 6.125 10.879 1.00 0.00 H new ATOM 68 N GLU A 6 18.728 4.913 12.706 1.00 0.00 N ATOM 69 CA GLU A 6 18.443 4.707 14.118 1.00 0.00 C ATOM 70 C GLU A 6 17.652 3.432 14.346 1.00 0.00 C ATOM 71 O GLU A 6 17.011 3.250 15.382 1.00 0.00 O ATOM 72 CB GLU A 6 17.669 5.889 14.672 1.00 0.00 C ATOM 73 CG GLU A 6 18.547 7.056 15.095 1.00 0.00 C ATOM 74 CD GLU A 6 17.746 8.213 15.659 1.00 0.00 C ATOM 75 OE1 GLU A 6 16.534 8.294 15.367 1.00 0.00 O ATOM 76 OE2 GLU A 6 18.330 9.037 16.393 1.00 0.00 O ATOM 0 H GLU A 6 17.963 5.333 12.178 1.00 0.00 H new ATOM 0 HA GLU A 6 19.397 4.615 14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.962 6.234 13.917 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.084 5.558 15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.262 6.715 15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.124 7.402 14.237 1.00 0.00 H new ATOM 83 N GLY A 7 17.709 2.562 13.367 1.00 0.00 N ATOM 84 CA GLY A 7 17.005 1.295 13.438 1.00 0.00 C ATOM 85 C GLY A 7 15.518 1.467 13.679 1.00 0.00 C ATOM 86 O GLY A 7 14.869 0.589 14.249 1.00 0.00 O ATOM 0 H GLY A 7 18.237 2.705 12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.158 0.746 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.432 0.691 14.239 1.00 0.00 H new ATOM 90 N VAL A 8 14.977 2.600 13.246 1.00 0.00 N ATOM 91 CA VAL A 8 13.557 2.884 13.419 1.00 0.00 C ATOM 92 C VAL A 8 12.693 1.919 12.616 1.00 0.00 C ATOM 93 O VAL A 8 11.522 1.710 12.931 1.00 0.00 O ATOM 94 CB VAL A 8 13.211 4.321 13.008 1.00 0.00 C ATOM 95 CG1 VAL A 8 11.849 4.719 13.555 1.00 0.00 C ATOM 96 CG2 VAL A 8 14.286 5.294 13.471 1.00 0.00 C ATOM 0 H VAL A 8 15.500 3.337 12.773 1.00 0.00 H new ATOM 0 HA VAL A 8 13.346 2.758 14.481 1.00 0.00 H new ATOM 0 HB VAL A 8 13.169 4.363 11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.620 5.741 13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.088 4.046 13.161 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.861 4.656 14.643 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.017 6.305 13.167 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.371 5.252 14.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.241 5.022 13.021 1.00 0.00 H new ATOM 106 N TRP A 9 13.278 1.332 11.578 1.00 0.00 N ATOM 107 CA TRP A 9 12.568 0.391 10.731 1.00 0.00 C ATOM 108 C TRP A 9 12.995 -1.042 11.030 1.00 0.00 C ATOM 109 O TRP A 9 14.058 -1.277 11.604 1.00 0.00 O ATOM 110 CB TRP A 9 12.798 0.708 9.246 1.00 0.00 C ATOM 111 CG TRP A 9 14.000 1.565 8.980 1.00 0.00 C ATOM 112 CD1 TRP A 9 14.106 2.912 9.175 1.00 0.00 C ATOM 113 CD2 TRP A 9 15.266 1.132 8.470 1.00 0.00 C ATOM 114 NE1 TRP A 9 15.361 3.343 8.817 1.00 0.00 N ATOM 115 CE2 TRP A 9 16.092 2.269 8.381 1.00 0.00 C ATOM 116 CE3 TRP A 9 15.783 -0.107 8.080 1.00 0.00 C ATOM 117 CZ2 TRP A 9 17.403 2.203 7.919 1.00 0.00 C ATOM 118 CZ3 TRP A 9 17.085 -0.171 7.621 1.00 0.00 C ATOM 119 CH2 TRP A 9 17.883 0.978 7.544 1.00 0.00 C ATOM 0 H TRP A 9 14.247 1.495 11.305 1.00 0.00 H new ATOM 0 HA TRP A 9 11.504 0.489 10.948 1.00 0.00 H new ATOM 0 HB2 TRP A 9 12.905 -0.228 8.698 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.914 1.209 8.852 1.00 0.00 H new ATOM 0 HD1 TRP A 9 13.319 3.546 9.555 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.694 4.306 8.868 1.00 0.00 H new ATOM 0 HE3 TRP A 9 15.176 -0.998 8.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 18.020 3.088 7.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 17.494 -1.123 7.316 1.00 0.00 H new ATOM 0 HH2 TRP A 9 18.897 0.895 7.181 1.00 0.00 H new ATOM 130 N SER A 10 12.159 -1.997 10.635 1.00 0.00 N ATOM 131 CA SER A 10 12.446 -3.403 10.856 1.00 0.00 C ATOM 132 C SER A 10 12.126 -4.225 9.610 1.00 0.00 C ATOM 133 O SER A 10 11.294 -3.831 8.793 1.00 0.00 O ATOM 134 CB SER A 10 11.650 -3.929 12.051 1.00 0.00 C ATOM 135 OG SER A 10 11.372 -2.892 12.976 1.00 0.00 O ATOM 0 H SER A 10 11.275 -1.818 10.159 1.00 0.00 H new ATOM 0 HA SER A 10 13.510 -3.502 11.070 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.716 -4.370 11.704 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.212 -4.721 12.546 1.00 0.00 H new ATOM 0 HG SER A 10 10.861 -3.254 13.730 1.00 0.00 H new ATOM 141 N PRO A 11 12.785 -5.385 9.448 1.00 0.00 N ATOM 142 CA PRO A 11 12.567 -6.263 8.294 1.00 0.00 C ATOM 143 C PRO A 11 11.159 -6.843 8.261 1.00 0.00 C ATOM 144 O PRO A 11 10.671 -7.260 7.211 1.00 0.00 O ATOM 145 CB PRO A 11 13.602 -7.374 8.480 1.00 0.00 C ATOM 146 CG PRO A 11 13.913 -7.363 9.934 1.00 0.00 C ATOM 147 CD PRO A 11 13.793 -5.931 10.372 1.00 0.00 C ATOM 0 HA PRO A 11 12.672 -5.724 7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.206 -8.340 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.495 -7.187 7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.221 -7.999 10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.916 -7.746 10.121 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.473 -5.852 11.411 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.743 -5.403 10.290 1.00 0.00 H new ATOM 155 N ASP A 12 10.511 -6.866 9.418 1.00 0.00 N ATOM 156 CA ASP A 12 9.158 -7.392 9.528 1.00 0.00 C ATOM 157 C ASP A 12 8.145 -6.431 8.917 1.00 0.00 C ATOM 158 O ASP A 12 7.057 -6.836 8.509 1.00 0.00 O ATOM 159 CB ASP A 12 8.810 -7.658 10.990 1.00 0.00 C ATOM 160 CG ASP A 12 8.672 -9.138 11.293 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.586 -9.698 11.035 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.650 -9.735 11.790 1.00 0.00 O ATOM 0 H ASP A 12 10.903 -6.525 10.296 1.00 0.00 H new ATOM 0 HA ASP A 12 9.116 -8.331 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.583 -7.230 11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.877 -7.151 11.236 1.00 0.00 H new ATOM 167 N ILE A 13 8.514 -5.160 8.855 1.00 0.00 N ATOM 168 CA ILE A 13 7.646 -4.142 8.291 1.00 0.00 C ATOM 169 C ILE A 13 7.695 -4.178 6.777 1.00 0.00 C ATOM 170 O ILE A 13 6.670 -4.077 6.103 1.00 0.00 O ATOM 171 CB ILE A 13 8.019 -2.740 8.780 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.193 -2.731 10.300 1.00 0.00 C ATOM 173 CG2 ILE A 13 6.966 -1.729 8.353 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.968 -3.209 11.051 1.00 0.00 C ATOM 0 H ILE A 13 9.412 -4.810 9.190 1.00 0.00 H new ATOM 0 HA ILE A 13 6.633 -4.363 8.629 1.00 0.00 H new ATOM 0 HB ILE A 13 8.969 -2.457 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.041 -3.363 10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.436 -1.719 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.247 -0.738 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.893 -1.717 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.001 -2.007 8.778 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.163 -3.176 12.123 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.122 -2.563 10.816 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.736 -4.232 10.755 1.00 0.00 H new ATOM 186 N GLU A 14 8.896 -4.344 6.252 1.00 0.00 N ATOM 187 CA GLU A 14 9.094 -4.421 4.816 1.00 0.00 C ATOM 188 C GLU A 14 8.484 -5.706 4.277 1.00 0.00 C ATOM 189 O GLU A 14 8.072 -5.776 3.119 1.00 0.00 O ATOM 190 CB GLU A 14 10.583 -4.356 4.471 1.00 0.00 C ATOM 191 CG GLU A 14 10.879 -3.593 3.190 1.00 0.00 C ATOM 192 CD GLU A 14 11.181 -4.511 2.022 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.363 -4.873 1.842 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.237 -4.868 1.287 1.00 0.00 O ATOM 0 H GLU A 14 9.751 -4.428 6.801 1.00 0.00 H new ATOM 0 HA GLU A 14 8.598 -3.569 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.118 -3.886 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.970 -5.371 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.025 -2.963 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.728 -2.929 3.355 1.00 0.00 H new ATOM 201 N GLN A 15 8.416 -6.716 5.136 1.00 0.00 N ATOM 202 CA GLN A 15 7.845 -7.992 4.768 1.00 0.00 C ATOM 203 C GLN A 15 6.335 -7.904 4.751 1.00 0.00 C ATOM 204 O GLN A 15 5.682 -8.286 3.780 1.00 0.00 O ATOM 205 CB GLN A 15 8.306 -9.061 5.730 1.00 0.00 C ATOM 206 CG GLN A 15 9.603 -9.708 5.299 1.00 0.00 C ATOM 207 CD GLN A 15 9.391 -10.883 4.364 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.835 -10.733 3.276 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.834 -12.062 4.785 1.00 0.00 N ATOM 0 H GLN A 15 8.754 -6.668 6.097 1.00 0.00 H new ATOM 0 HA GLN A 15 8.184 -8.257 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.433 -8.624 6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.534 -9.825 5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.228 -8.964 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.146 -10.045 6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.289 -12.141 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.719 -12.889 4.199 1.00 0.00 H new ATOM 218 N SER A 16 5.792 -7.363 5.826 1.00 0.00 N ATOM 219 CA SER A 16 4.358 -7.178 5.939 1.00 0.00 C ATOM 220 C SER A 16 3.889 -6.188 4.880 1.00 0.00 C ATOM 221 O SER A 16 2.711 -6.148 4.524 1.00 0.00 O ATOM 222 CB SER A 16 3.990 -6.676 7.337 1.00 0.00 C ATOM 223 OG SER A 16 2.598 -6.796 7.576 1.00 0.00 O ATOM 0 H SER A 16 6.324 -7.043 6.635 1.00 0.00 H new ATOM 0 HA SER A 16 3.862 -8.136 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.540 -7.244 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.291 -5.634 7.443 1.00 0.00 H new ATOM 0 HG SER A 16 2.434 -6.840 8.541 1.00 0.00 H new ATOM 229 N PHE A 17 4.833 -5.394 4.372 1.00 0.00 N ATOM 230 CA PHE A 17 4.539 -4.410 3.347 1.00 0.00 C ATOM 231 C PHE A 17 4.149 -5.094 2.049 1.00 0.00 C ATOM 232 O PHE A 17 3.230 -4.659 1.355 1.00 0.00 O ATOM 233 CB PHE A 17 5.746 -3.502 3.122 1.00 0.00 C ATOM 234 CG PHE A 17 5.532 -2.086 3.573 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.949 -1.817 4.801 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.917 -1.025 2.771 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.755 -0.514 5.220 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.726 0.280 3.184 1.00 0.00 C ATOM 239 CZ PHE A 17 5.144 0.535 4.410 1.00 0.00 C ATOM 0 H PHE A 17 5.811 -5.419 4.660 1.00 0.00 H new ATOM 0 HA PHE A 17 3.700 -3.801 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.604 -3.916 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.996 -3.502 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.643 -2.634 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.372 -1.220 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.300 -0.317 6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.031 1.099 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.993 1.554 4.735 1.00 0.00 H new ATOM 249 N GLN A 18 4.847 -6.175 1.733 1.00 0.00 N ATOM 250 CA GLN A 18 4.560 -6.924 0.519 1.00 0.00 C ATOM 251 C GLN A 18 3.187 -7.569 0.608 1.00 0.00 C ATOM 252 O GLN A 18 2.512 -7.763 -0.401 1.00 0.00 O ATOM 253 CB GLN A 18 5.621 -7.997 0.268 1.00 0.00 C ATOM 254 CG GLN A 18 5.219 -9.002 -0.802 1.00 0.00 C ATOM 255 CD GLN A 18 6.391 -9.822 -1.306 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.976 -10.611 -0.565 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.740 -9.637 -2.574 1.00 0.00 N ATOM 0 H GLN A 18 5.610 -6.551 2.296 1.00 0.00 H new ATOM 0 HA GLN A 18 4.575 -6.224 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.553 -7.515 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.819 -8.528 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.459 -9.672 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.765 -8.472 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.227 -8.972 -3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.521 -10.160 -2.969 1.00 0.00 H new ATOM 266 N GLU A 19 2.783 -7.901 1.823 1.00 0.00 N ATOM 267 CA GLU A 19 1.491 -8.526 2.047 1.00 0.00 C ATOM 268 C GLU A 19 0.368 -7.562 1.713 1.00 0.00 C ATOM 269 O GLU A 19 -0.687 -7.966 1.228 1.00 0.00 O ATOM 270 CB GLU A 19 1.371 -9.010 3.490 1.00 0.00 C ATOM 271 CG GLU A 19 1.157 -10.510 3.612 1.00 0.00 C ATOM 272 CD GLU A 19 -0.084 -10.984 2.880 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.053 -11.036 1.633 1.00 0.00 O ATOM 274 OE2 GLU A 19 -1.085 -11.304 3.555 1.00 0.00 O ATOM 0 H GLU A 19 3.332 -7.748 2.669 1.00 0.00 H new ATOM 0 HA GLU A 19 1.409 -9.390 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.275 -8.735 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.541 -8.493 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.029 -11.031 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.077 -10.777 4.666 1.00 0.00 H new ATOM 281 N ALA A 20 0.607 -6.285 1.963 1.00 0.00 N ATOM 282 CA ALA A 20 -0.378 -5.261 1.674 1.00 0.00 C ATOM 283 C ALA A 20 -0.312 -4.860 0.211 1.00 0.00 C ATOM 284 O ALA A 20 -1.322 -4.506 -0.397 1.00 0.00 O ATOM 285 CB ALA A 20 -0.177 -4.053 2.576 1.00 0.00 C ATOM 0 H ALA A 20 1.476 -5.935 2.366 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.369 -5.669 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.926 -3.296 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.279 -4.356 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.819 -3.640 2.414 1.00 0.00 H new ATOM 291 N LEU A 21 0.885 -4.934 -0.351 1.00 0.00 N ATOM 292 CA LEU A 21 1.095 -4.598 -1.746 1.00 0.00 C ATOM 293 C LEU A 21 0.709 -5.770 -2.639 1.00 0.00 C ATOM 294 O LEU A 21 0.327 -5.586 -3.795 1.00 0.00 O ATOM 295 CB LEU A 21 2.550 -4.200 -1.991 1.00 0.00 C ATOM 296 CG LEU A 21 2.750 -2.775 -2.509 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.964 -2.557 -3.793 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.339 -1.761 -1.451 1.00 0.00 C ATOM 0 H LEU A 21 1.728 -5.226 0.143 1.00 0.00 H new ATOM 0 HA LEU A 21 0.459 -3.748 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.104 -4.313 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.986 -4.896 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 21 3.808 -2.634 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.119 -1.537 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.306 -3.260 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.903 -2.717 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.488 -0.752 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.288 -1.902 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.947 -1.901 -0.557 1.00 0.00 H new ATOM 310 N SER A 22 0.805 -6.976 -2.090 1.00 0.00 N ATOM 311 CA SER A 22 0.460 -8.177 -2.826 1.00 0.00 C ATOM 312 C SER A 22 -1.045 -8.395 -2.811 1.00 0.00 C ATOM 313 O SER A 22 -1.622 -8.914 -3.766 1.00 0.00 O ATOM 314 CB SER A 22 1.174 -9.393 -2.233 1.00 0.00 C ATOM 315 OG SER A 22 0.975 -10.544 -3.037 1.00 0.00 O ATOM 0 H SER A 22 1.120 -7.143 -1.135 1.00 0.00 H new ATOM 0 HA SER A 22 0.785 -8.051 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.241 -9.186 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.803 -9.581 -1.225 1.00 0.00 H new ATOM 0 HG SER A 22 1.443 -11.307 -2.637 1.00 0.00 H new ATOM 321 N ILE A 23 -1.672 -7.990 -1.716 1.00 0.00 N ATOM 322 CA ILE A 23 -3.111 -8.133 -1.564 1.00 0.00 C ATOM 323 C ILE A 23 -3.856 -6.961 -2.204 1.00 0.00 C ATOM 324 O ILE A 23 -5.024 -7.083 -2.573 1.00 0.00 O ATOM 325 CB ILE A 23 -3.509 -8.273 -0.077 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.776 -9.740 0.264 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.725 -7.419 0.266 1.00 0.00 C ATOM 328 CD1 ILE A 23 -2.537 -10.607 0.214 1.00 0.00 C ATOM 0 H ILE A 23 -1.205 -7.559 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.400 -9.047 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.674 -7.912 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.211 -9.799 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.516 -10.137 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.973 -7.545 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.501 -6.371 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.572 -7.730 -0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.801 -11.634 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.113 -10.578 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.803 -10.235 0.929 1.00 0.00 H new ATOM 340 N TYR A 24 -3.173 -5.828 -2.327 1.00 0.00 N ATOM 341 CA TYR A 24 -3.767 -4.639 -2.915 1.00 0.00 C ATOM 342 C TYR A 24 -3.006 -4.196 -4.162 1.00 0.00 C ATOM 343 O TYR A 24 -2.138 -3.327 -4.093 1.00 0.00 O ATOM 344 CB TYR A 24 -3.804 -3.507 -1.900 1.00 0.00 C ATOM 345 CG TYR A 24 -4.662 -3.800 -0.691 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.967 -4.252 -0.833 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.164 -3.624 0.593 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.752 -4.521 0.272 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.942 -3.890 1.703 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.235 -4.338 1.538 1.00 0.00 C ATOM 351 OH TYR A 24 -7.014 -4.606 2.641 1.00 0.00 O ATOM 0 H TYR A 24 -2.206 -5.711 -2.026 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.786 -4.889 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.787 -3.294 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.176 -2.606 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.375 -4.396 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.151 -3.273 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.765 -4.873 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.539 -3.748 2.695 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.500 -4.426 3.456 1.00 0.00 H new ATOM 361 N PRO A 25 -3.327 -4.788 -5.325 1.00 0.00 N ATOM 362 CA PRO A 25 -2.683 -4.457 -6.586 1.00 0.00 C ATOM 363 C PRO A 25 -3.350 -3.267 -7.276 1.00 0.00 C ATOM 364 O PRO A 25 -4.576 -3.185 -7.335 1.00 0.00 O ATOM 365 CB PRO A 25 -2.856 -5.731 -7.424 1.00 0.00 C ATOM 366 CG PRO A 25 -3.829 -6.605 -6.688 1.00 0.00 C ATOM 367 CD PRO A 25 -4.342 -5.824 -5.508 1.00 0.00 C ATOM 0 HA PRO A 25 -1.642 -4.164 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.229 -5.491 -8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.901 -6.240 -7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.652 -6.896 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.344 -7.524 -6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.324 -5.395 -5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.441 -6.452 -4.622 1.00 0.00 H new ATOM 375 N PRO A 26 -2.551 -2.324 -7.809 1.00 0.00 N ATOM 376 CA PRO A 26 -3.079 -1.140 -8.493 1.00 0.00 C ATOM 377 C PRO A 26 -3.993 -1.500 -9.654 1.00 0.00 C ATOM 378 O PRO A 26 -5.199 -1.253 -9.615 1.00 0.00 O ATOM 379 CB PRO A 26 -1.828 -0.413 -9.001 1.00 0.00 C ATOM 380 CG PRO A 26 -0.729 -1.415 -8.921 1.00 0.00 C ATOM 381 CD PRO A 26 -1.082 -2.333 -7.789 1.00 0.00 C ATOM 0 HA PRO A 26 -3.691 -0.533 -7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.966 -0.062 -10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.607 0.462 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.637 -1.967 -9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.230 -0.928 -8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.682 -3.335 -7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.688 -1.973 -6.838 1.00 0.00 H new ATOM 389 N CYS A 27 -3.406 -2.085 -10.682 1.00 0.00 N ATOM 390 CA CYS A 27 -4.146 -2.487 -11.865 1.00 0.00 C ATOM 391 C CYS A 27 -4.640 -3.925 -11.739 1.00 0.00 C ATOM 392 O CYS A 27 -3.889 -4.817 -11.344 1.00 0.00 O ATOM 393 CB CYS A 27 -3.277 -2.336 -13.111 1.00 0.00 C ATOM 394 SG CYS A 27 -3.911 -1.143 -14.313 1.00 0.00 S ATOM 0 H CYS A 27 -2.408 -2.294 -10.721 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.015 -1.835 -11.958 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.275 -2.032 -12.808 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.183 -3.308 -13.595 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.106 -1.084 -15.332 1.00 0.00 H new ATOM 400 N GLY A 28 -5.906 -4.144 -12.079 1.00 0.00 N ATOM 401 CA GLY A 28 -6.475 -5.476 -11.999 1.00 0.00 C ATOM 402 C GLY A 28 -7.906 -5.471 -11.497 1.00 0.00 C ATOM 403 O GLY A 28 -8.755 -6.192 -12.019 1.00 0.00 O ATOM 0 H GLY A 28 -6.548 -3.423 -12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.441 -5.941 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.864 -6.089 -11.336 1.00 0.00 H new ATOM 407 N ARG A 29 -8.174 -4.656 -10.482 1.00 0.00 N ATOM 408 CA ARG A 29 -9.510 -4.562 -9.913 1.00 0.00 C ATOM 409 C ARG A 29 -9.690 -3.253 -9.150 1.00 0.00 C ATOM 410 O ARG A 29 -8.842 -2.870 -8.344 1.00 0.00 O ATOM 411 CB ARG A 29 -9.780 -5.751 -8.988 1.00 0.00 C ATOM 412 CG ARG A 29 -10.576 -6.865 -9.648 1.00 0.00 C ATOM 413 CD ARG A 29 -10.070 -8.236 -9.228 1.00 0.00 C ATOM 414 NE ARG A 29 -8.807 -8.576 -9.877 1.00 0.00 N ATOM 415 CZ ARG A 29 -8.687 -8.833 -11.178 1.00 0.00 C ATOM 416 NH1 ARG A 29 -9.751 -8.791 -11.971 1.00 0.00 N ATOM 417 NH2 ARG A 29 -7.500 -9.134 -11.687 1.00 0.00 N ATOM 0 H ARG A 29 -7.483 -4.052 -10.038 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.227 -4.581 -10.733 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.829 -6.153 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.320 -5.401 -8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.629 -6.768 -9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.510 -6.768 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.939 -8.258 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.818 -8.989 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.967 -8.619 -9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.666 -8.561 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.653 -8.989 -12.967 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.680 -9.169 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.407 -9.331 -12.684 1.00 0.00 H new ATOM 431 N ARG A 30 -10.803 -2.573 -9.408 1.00 0.00 N ATOM 432 CA ARG A 30 -11.101 -1.314 -8.747 1.00 0.00 C ATOM 433 C ARG A 30 -12.587 -1.212 -8.417 1.00 0.00 C ATOM 434 O ARG A 30 -13.440 -1.421 -9.280 1.00 0.00 O ATOM 435 CB ARG A 30 -10.675 -0.136 -9.625 1.00 0.00 C ATOM 436 CG ARG A 30 -9.171 0.073 -9.674 1.00 0.00 C ATOM 437 CD ARG A 30 -8.815 1.549 -9.751 1.00 0.00 C ATOM 438 NE ARG A 30 -8.529 1.972 -11.120 1.00 0.00 N ATOM 439 CZ ARG A 30 -7.867 3.085 -11.429 1.00 0.00 C ATOM 440 NH1 ARG A 30 -7.421 3.888 -10.471 1.00 0.00 N ATOM 441 NH2 ARG A 30 -7.649 3.395 -12.699 1.00 0.00 N ATOM 0 H ARG A 30 -11.514 -2.877 -10.073 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.538 -1.280 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.044 -0.296 -10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.148 0.773 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.713 -0.367 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.758 -0.447 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.638 2.142 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.947 1.746 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.856 1.380 -11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.585 3.654 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.914 4.739 -10.714 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.988 2.781 -13.439 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.142 4.248 -12.936 1.00 0.00 H new ATOM 455 N LYS A 31 -12.890 -0.889 -7.164 1.00 0.00 N ATOM 456 CA LYS A 31 -14.269 -0.758 -6.723 1.00 0.00 C ATOM 457 C LYS A 31 -14.390 0.260 -5.594 1.00 0.00 C ATOM 458 O LYS A 31 -13.614 0.239 -4.639 1.00 0.00 O ATOM 459 CB LYS A 31 -14.814 -2.113 -6.268 1.00 0.00 C ATOM 460 CG LYS A 31 -14.901 -3.141 -7.384 1.00 0.00 C ATOM 461 CD LYS A 31 -16.007 -4.151 -7.127 1.00 0.00 C ATOM 462 CE LYS A 31 -16.225 -5.057 -8.328 1.00 0.00 C ATOM 463 NZ LYS A 31 -16.550 -6.452 -7.920 1.00 0.00 N ATOM 0 H LYS A 31 -12.196 -0.713 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.859 -0.403 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.176 -2.504 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.806 -1.971 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.082 -2.635 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.947 -3.660 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.754 -4.755 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.933 -3.626 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.035 -4.660 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.329 -5.060 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.691 -7.038 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.766 -6.841 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.420 -6.453 -7.350 1.00 0.00 H new ATOM 477 N ILE A 32 -15.369 1.152 -5.712 1.00 0.00 N ATOM 478 CA ILE A 32 -15.595 2.177 -4.707 1.00 0.00 C ATOM 479 C ILE A 32 -16.954 2.846 -4.899 1.00 0.00 C ATOM 480 O ILE A 32 -17.204 3.481 -5.924 1.00 0.00 O ATOM 481 CB ILE A 32 -14.487 3.248 -4.743 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.623 4.200 -3.553 1.00 0.00 C ATOM 483 CG2 ILE A 32 -14.526 4.018 -6.056 1.00 0.00 C ATOM 484 CD1 ILE A 32 -13.302 4.543 -2.901 1.00 0.00 C ATOM 0 H ILE A 32 -16.019 1.183 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.577 1.683 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.522 2.746 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.104 5.119 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.280 3.748 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.736 4.769 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.376 3.328 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.494 4.509 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.474 5.221 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.828 3.631 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.650 5.024 -3.630 1.00 0.00 H new ATOM 496 N ILE A 33 -17.830 2.695 -3.910 1.00 0.00 N ATOM 497 CA ILE A 33 -19.158 3.276 -3.970 1.00 0.00 C ATOM 498 C ILE A 33 -19.469 4.070 -2.705 1.00 0.00 C ATOM 499 O ILE A 33 -20.124 3.569 -1.791 1.00 0.00 O ATOM 500 CB ILE A 33 -20.251 2.199 -4.173 1.00 0.00 C ATOM 501 CG1 ILE A 33 -19.669 0.788 -4.038 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.919 2.369 -5.530 1.00 0.00 C ATOM 503 CD1 ILE A 33 -20.713 -0.272 -3.767 1.00 0.00 C ATOM 0 H ILE A 33 -17.638 2.172 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.164 3.946 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 33 -21.001 2.330 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -19.135 0.535 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -18.937 0.781 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.685 1.604 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -21.379 3.356 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -20.173 2.269 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -20.230 -1.245 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -21.231 -0.043 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -21.432 -0.293 -4.586 1.00 0.00 H new ATOM 515 N LEU A 34 -18.996 5.311 -2.658 1.00 0.00 N ATOM 516 CA LEU A 34 -19.226 6.171 -1.508 1.00 0.00 C ATOM 517 C LEU A 34 -20.651 6.713 -1.503 1.00 0.00 C ATOM 518 O LEU A 34 -21.201 7.037 -0.451 1.00 0.00 O ATOM 519 CB LEU A 34 -18.224 7.324 -1.497 1.00 0.00 C ATOM 520 CG LEU A 34 -17.309 7.376 -0.272 1.00 0.00 C ATOM 521 CD1 LEU A 34 -15.926 7.876 -0.658 1.00 0.00 C ATOM 522 CD2 LEU A 34 -17.915 8.260 0.807 1.00 0.00 C ATOM 0 H LEU A 34 -18.451 5.742 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.087 5.572 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.605 7.255 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.773 8.263 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.209 6.366 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.290 7.906 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.489 7.204 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.006 8.877 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.251 8.286 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.045 9.270 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.883 7.858 1.105 1.00 0.00 H new ATOM 534 N SER A 35 -21.243 6.807 -2.686 1.00 0.00 N ATOM 535 CA SER A 35 -22.605 7.308 -2.823 1.00 0.00 C ATOM 536 C SER A 35 -23.594 6.410 -2.086 1.00 0.00 C ATOM 537 O SER A 35 -24.681 6.847 -1.707 1.00 0.00 O ATOM 538 CB SER A 35 -22.988 7.410 -4.301 1.00 0.00 C ATOM 539 OG SER A 35 -22.095 6.669 -5.114 1.00 0.00 O ATOM 0 H SER A 35 -20.801 6.543 -3.566 1.00 0.00 H new ATOM 0 HA SER A 35 -22.646 8.302 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.004 7.041 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.983 8.455 -4.610 1.00 0.00 H new ATOM 0 HG SER A 35 -22.364 6.750 -6.053 1.00 0.00 H new ATOM 545 N ASP A 36 -23.210 5.155 -1.889 1.00 0.00 N ATOM 546 CA ASP A 36 -24.056 4.195 -1.203 1.00 0.00 C ATOM 547 C ASP A 36 -23.551 3.933 0.213 1.00 0.00 C ATOM 548 O ASP A 36 -24.259 4.177 1.190 1.00 0.00 O ATOM 549 CB ASP A 36 -24.118 2.884 -1.990 1.00 0.00 C ATOM 550 CG ASP A 36 -25.419 2.729 -2.752 1.00 0.00 C ATOM 551 OD1 ASP A 36 -25.517 3.265 -3.876 1.00 0.00 O ATOM 552 OD2 ASP A 36 -26.341 2.071 -2.225 1.00 0.00 O ATOM 0 H ASP A 36 -22.313 4.780 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 36 -25.059 4.617 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -23.283 2.843 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.000 2.045 -1.304 1.00 0.00 H new ATOM 557 N GLU A 37 -22.325 3.429 0.316 1.00 0.00 N ATOM 558 CA GLU A 37 -21.729 3.129 1.611 1.00 0.00 C ATOM 559 C GLU A 37 -21.493 4.399 2.417 1.00 0.00 C ATOM 560 O GLU A 37 -21.621 4.406 3.641 1.00 0.00 O ATOM 561 CB GLU A 37 -20.417 2.369 1.429 1.00 0.00 C ATOM 562 CG GLU A 37 -20.429 0.981 2.042 1.00 0.00 C ATOM 563 CD GLU A 37 -19.384 0.811 3.128 1.00 0.00 C ATOM 564 OE1 GLU A 37 -19.691 1.117 4.299 1.00 0.00 O ATOM 565 OE2 GLU A 37 -18.260 0.372 2.807 1.00 0.00 O ATOM 0 H GLU A 37 -21.726 3.220 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.428 2.502 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.200 2.285 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.607 2.947 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.416 0.781 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.258 0.241 1.260 1.00 0.00 H new ATOM 572 N GLY A 38 -21.148 5.470 1.719 1.00 0.00 N ATOM 573 CA GLY A 38 -20.896 6.739 2.378 1.00 0.00 C ATOM 574 C GLY A 38 -19.795 6.650 3.417 1.00 0.00 C ATOM 575 O GLY A 38 -19.683 7.514 4.287 1.00 0.00 O ATOM 0 H GLY A 38 -21.037 5.485 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.625 7.485 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.813 7.085 2.855 1.00 0.00 H new ATOM 579 N LYS A 39 -18.972 5.613 3.318 1.00 0.00 N ATOM 580 CA LYS A 39 -17.870 5.421 4.236 1.00 0.00 C ATOM 581 C LYS A 39 -16.693 4.786 3.513 1.00 0.00 C ATOM 582 O LYS A 39 -16.571 3.563 3.447 1.00 0.00 O ATOM 583 CB LYS A 39 -18.300 4.548 5.416 1.00 0.00 C ATOM 584 CG LYS A 39 -17.578 4.879 6.712 1.00 0.00 C ATOM 585 CD LYS A 39 -17.322 3.632 7.542 1.00 0.00 C ATOM 586 CE LYS A 39 -15.927 3.079 7.302 1.00 0.00 C ATOM 587 NZ LYS A 39 -15.322 2.536 8.549 1.00 0.00 N ATOM 0 H LYS A 39 -19.053 4.890 2.603 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.565 6.394 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.373 4.661 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.122 3.502 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.630 5.368 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.172 5.586 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.445 3.866 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.063 2.872 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.973 2.292 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.288 3.867 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.371 2.169 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.254 3.292 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.917 1.767 8.917 1.00 0.00 H new ATOM 601 N MET A 40 -15.827 5.630 2.981 1.00 0.00 N ATOM 602 CA MET A 40 -14.649 5.176 2.268 1.00 0.00 C ATOM 603 C MET A 40 -13.509 6.175 2.426 1.00 0.00 C ATOM 604 O MET A 40 -13.325 7.063 1.594 1.00 0.00 O ATOM 605 CB MET A 40 -14.967 4.968 0.786 1.00 0.00 C ATOM 606 CG MET A 40 -14.300 3.741 0.188 1.00 0.00 C ATOM 607 SD MET A 40 -14.897 2.202 0.913 1.00 0.00 S ATOM 608 CE MET A 40 -16.217 1.783 -0.222 1.00 0.00 C ATOM 0 H MET A 40 -15.921 6.644 3.031 1.00 0.00 H new ATOM 0 HA MET A 40 -14.337 4.223 2.695 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.047 4.881 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.653 5.850 0.228 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.477 3.724 -0.887 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.222 3.812 0.332 1.00 0.00 H new ATOM 0 HE1 MET A 40 -16.686 0.851 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 40 -16.960 2.580 -0.226 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.809 1.662 -1.226 1.00 0.00 H new ATOM 618 N TYR A 41 -12.748 6.019 3.500 1.00 0.00 N ATOM 619 CA TYR A 41 -11.624 6.901 3.777 1.00 0.00 C ATOM 620 C TYR A 41 -10.494 6.673 2.778 1.00 0.00 C ATOM 621 O TYR A 41 -10.634 5.891 1.837 1.00 0.00 O ATOM 622 CB TYR A 41 -11.118 6.683 5.201 1.00 0.00 C ATOM 623 CG TYR A 41 -11.238 7.907 6.081 1.00 0.00 C ATOM 624 CD1 TYR A 41 -12.438 8.222 6.706 1.00 0.00 C ATOM 625 CD2 TYR A 41 -10.150 8.748 6.286 1.00 0.00 C ATOM 626 CE1 TYR A 41 -12.551 9.340 7.510 1.00 0.00 C ATOM 627 CE2 TYR A 41 -10.256 9.867 7.090 1.00 0.00 C ATOM 628 CZ TYR A 41 -11.458 10.159 7.699 1.00 0.00 C ATOM 629 OH TYR A 41 -11.567 11.273 8.499 1.00 0.00 O ATOM 0 H TYR A 41 -12.890 5.287 4.196 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.968 7.931 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -11.676 5.864 5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.073 6.374 5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.296 7.583 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.207 8.523 5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.491 9.571 7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.401 10.510 7.241 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.706 11.741 8.528 1.00 0.00 H new ATOM 639 N GLY A 42 -9.375 7.361 2.986 1.00 0.00 N ATOM 640 CA GLY A 42 -8.239 7.219 2.094 1.00 0.00 C ATOM 641 C GLY A 42 -7.826 5.772 1.904 1.00 0.00 C ATOM 642 O GLY A 42 -7.747 5.010 2.868 1.00 0.00 O ATOM 0 H GLY A 42 -9.235 8.014 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.486 7.653 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.396 7.785 2.491 1.00 0.00 H new ATOM 646 N ARG A 43 -7.566 5.391 0.657 1.00 0.00 N ATOM 647 CA ARG A 43 -7.163 4.025 0.342 1.00 0.00 C ATOM 648 C ARG A 43 -5.934 3.611 1.143 1.00 0.00 C ATOM 649 O ARG A 43 -5.724 2.428 1.411 1.00 0.00 O ATOM 650 CB ARG A 43 -6.888 3.885 -1.154 1.00 0.00 C ATOM 651 CG ARG A 43 -7.816 2.906 -1.854 1.00 0.00 C ATOM 652 CD ARG A 43 -7.603 1.485 -1.358 1.00 0.00 C ATOM 653 NE ARG A 43 -6.557 0.794 -2.108 1.00 0.00 N ATOM 654 CZ ARG A 43 -6.739 0.260 -3.314 1.00 0.00 C ATOM 655 NH1 ARG A 43 -7.923 0.337 -3.909 1.00 0.00 N ATOM 656 NH2 ARG A 43 -5.734 -0.351 -3.927 1.00 0.00 N ATOM 0 H ARG A 43 -7.627 6.009 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.984 3.362 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.983 4.863 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.857 3.561 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.852 3.200 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.645 2.947 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.337 1.506 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.536 0.928 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.633 0.716 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.699 0.807 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.057 -0.074 -4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.822 -0.412 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.873 -0.760 -4.851 1.00 0.00 H new ATOM 670 N ASN A 44 -5.127 4.593 1.523 1.00 0.00 N ATOM 671 CA ASN A 44 -3.917 4.333 2.295 1.00 0.00 C ATOM 672 C ASN A 44 -4.248 3.646 3.615 1.00 0.00 C ATOM 673 O ASN A 44 -3.436 2.899 4.161 1.00 0.00 O ATOM 674 CB ASN A 44 -3.162 5.635 2.554 1.00 0.00 C ATOM 675 CG ASN A 44 -1.776 5.634 1.939 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.261 4.589 1.541 1.00 0.00 O ATOM 677 ND2 ASN A 44 -1.163 6.809 1.859 1.00 0.00 N ATOM 0 H ASN A 44 -5.288 5.577 1.310 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.282 3.666 1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.735 6.470 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.079 5.796 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.228 6.870 1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.627 7.651 2.201 1.00 0.00 H new ATOM 684 N GLU A 45 -5.447 3.903 4.118 1.00 0.00 N ATOM 685 CA GLU A 45 -5.893 3.310 5.371 1.00 0.00 C ATOM 686 C GLU A 45 -6.167 1.820 5.202 1.00 0.00 C ATOM 687 O GLU A 45 -6.123 1.056 6.166 1.00 0.00 O ATOM 688 CB GLU A 45 -7.150 4.020 5.877 1.00 0.00 C ATOM 689 CG GLU A 45 -7.199 4.166 7.389 1.00 0.00 C ATOM 690 CD GLU A 45 -8.042 5.345 7.834 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.498 6.467 7.914 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.246 5.147 8.101 1.00 0.00 O ATOM 0 H GLU A 45 -6.130 4.519 3.677 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.096 3.432 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.206 5.009 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.028 3.466 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.601 3.252 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.185 4.284 7.772 1.00 0.00 H new ATOM 699 N LEU A 46 -6.453 1.415 3.970 1.00 0.00 N ATOM 700 CA LEU A 46 -6.737 0.020 3.669 1.00 0.00 C ATOM 701 C LEU A 46 -5.465 -0.813 3.682 1.00 0.00 C ATOM 702 O LEU A 46 -5.464 -1.961 4.127 1.00 0.00 O ATOM 703 CB LEU A 46 -7.431 -0.102 2.314 1.00 0.00 C ATOM 704 CG LEU A 46 -8.776 -0.828 2.334 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.382 -0.864 0.940 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.610 -2.238 2.880 1.00 0.00 C ATOM 0 H LEU A 46 -6.494 2.036 3.162 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.402 -0.362 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.583 0.899 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.764 -0.625 1.628 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.454 -0.282 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.339 -1.384 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.535 0.155 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.707 -1.388 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.577 -2.741 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.917 -2.793 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.217 -2.191 3.896 1.00 0.00 H new ATOM 718 N ILE A 47 -4.385 -0.225 3.198 1.00 0.00 N ATOM 719 CA ILE A 47 -3.103 -0.914 3.161 1.00 0.00 C ATOM 720 C ILE A 47 -2.485 -0.952 4.546 1.00 0.00 C ATOM 721 O ILE A 47 -1.836 -1.926 4.924 1.00 0.00 O ATOM 722 CB ILE A 47 -2.085 -0.283 2.169 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.604 1.030 1.564 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.741 -1.273 1.067 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.682 0.842 0.516 1.00 0.00 C ATOM 0 H ILE A 47 -4.368 0.725 2.826 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.317 -1.922 2.806 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.184 -0.046 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.996 1.657 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.768 1.568 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.028 -0.819 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.302 -2.168 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.647 -1.542 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.995 1.815 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.290 0.242 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.537 0.333 0.961 1.00 0.00 H new ATOM 737 N ALA A 48 -2.702 0.111 5.301 1.00 0.00 N ATOM 738 CA ALA A 48 -2.179 0.205 6.651 1.00 0.00 C ATOM 739 C ALA A 48 -2.982 -0.670 7.601 1.00 0.00 C ATOM 740 O ALA A 48 -2.468 -1.138 8.617 1.00 0.00 O ATOM 741 CB ALA A 48 -2.172 1.652 7.123 1.00 0.00 C ATOM 0 H ALA A 48 -3.239 0.924 4.999 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.151 -0.156 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.776 1.702 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.545 2.248 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.189 2.044 7.111 1.00 0.00 H new ATOM 747 N ARG A 49 -4.242 -0.902 7.257 1.00 0.00 N ATOM 748 CA ARG A 49 -5.102 -1.738 8.074 1.00 0.00 C ATOM 749 C ARG A 49 -4.700 -3.198 7.930 1.00 0.00 C ATOM 750 O ARG A 49 -4.896 -4.003 8.840 1.00 0.00 O ATOM 751 CB ARG A 49 -6.570 -1.549 7.683 1.00 0.00 C ATOM 752 CG ARG A 49 -7.293 -0.508 8.522 1.00 0.00 C ATOM 753 CD ARG A 49 -8.767 -0.846 8.680 1.00 0.00 C ATOM 754 NE ARG A 49 -9.478 0.159 9.467 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.875 1.334 8.983 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.631 1.655 7.719 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.517 2.190 9.766 1.00 0.00 N ATOM 0 H ARG A 49 -4.687 -0.523 6.421 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.986 -1.441 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.624 -1.259 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.088 -2.503 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.826 -0.443 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.191 0.472 8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.228 -0.928 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.866 -1.819 9.160 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.682 -0.052 10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.137 1.000 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.937 2.557 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.706 1.948 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.821 3.090 9.396 1.00 0.00 H new ATOM 771 N TYR A 50 -4.122 -3.526 6.781 1.00 0.00 N ATOM 772 CA TYR A 50 -3.673 -4.881 6.515 1.00 0.00 C ATOM 773 C TYR A 50 -2.465 -5.219 7.363 1.00 0.00 C ATOM 774 O TYR A 50 -2.440 -6.229 8.066 1.00 0.00 O ATOM 775 CB TYR A 50 -3.324 -5.046 5.047 1.00 0.00 C ATOM 776 CG TYR A 50 -3.366 -6.480 4.575 1.00 0.00 C ATOM 777 CD1 TYR A 50 -4.562 -7.075 4.194 1.00 0.00 C ATOM 778 CD2 TYR A 50 -2.206 -7.240 4.515 1.00 0.00 C ATOM 779 CE1 TYR A 50 -4.600 -8.388 3.766 1.00 0.00 C ATOM 780 CE2 TYR A 50 -2.235 -8.553 4.089 1.00 0.00 C ATOM 781 CZ TYR A 50 -3.433 -9.123 3.715 1.00 0.00 C ATOM 782 OH TYR A 50 -3.466 -10.432 3.290 1.00 0.00 O ATOM 0 H TYR A 50 -3.954 -2.869 6.019 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.486 -5.561 6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.017 -4.454 4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.327 -4.643 4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.477 -6.502 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.265 -6.797 4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.538 -8.837 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.323 -9.131 4.049 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.752 -10.937 3.732 1.00 0.00 H new ATOM 792 N ILE A 51 -1.467 -4.360 7.288 1.00 0.00 N ATOM 793 CA ILE A 51 -0.243 -4.552 8.046 1.00 0.00 C ATOM 794 C ILE A 51 -0.522 -4.496 9.541 1.00 0.00 C ATOM 795 O ILE A 51 0.143 -5.161 10.335 1.00 0.00 O ATOM 796 CB ILE A 51 0.840 -3.511 7.687 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.225 -2.233 7.110 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.835 -4.109 6.704 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.161 -1.044 7.147 1.00 0.00 C ATOM 0 H ILE A 51 -1.479 -3.520 6.709 1.00 0.00 H new ATOM 0 HA ILE A 51 0.137 -5.538 7.779 1.00 0.00 H new ATOM 0 HB ILE A 51 1.361 -3.241 8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.075 -2.417 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.680 -1.991 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.594 -3.367 6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.312 -4.980 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.313 -4.409 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.660 -0.174 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.442 -0.834 8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.056 -1.267 6.566 1.00 0.00 H new ATOM 811 N LYS A 52 -1.515 -3.703 9.914 1.00 0.00 N ATOM 812 CA LYS A 52 -1.895 -3.563 11.310 1.00 0.00 C ATOM 813 C LYS A 52 -2.632 -4.806 11.798 1.00 0.00 C ATOM 814 O LYS A 52 -2.626 -5.119 12.988 1.00 0.00 O ATOM 815 CB LYS A 52 -2.771 -2.325 11.505 1.00 0.00 C ATOM 816 CG LYS A 52 -3.112 -2.047 12.960 1.00 0.00 C ATOM 817 CD LYS A 52 -1.931 -1.444 13.703 1.00 0.00 C ATOM 818 CE LYS A 52 -2.377 -0.366 14.679 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.404 0.759 14.747 1.00 0.00 N ATOM 0 H LYS A 52 -2.073 -3.146 9.267 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.984 -3.447 11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.259 -1.458 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.695 -2.451 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.962 -1.367 13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.415 -2.974 13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.401 -2.228 14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.228 -1.019 12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.352 0.016 14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.498 -0.802 15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.874 1.601 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.608 0.493 15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.050 0.970 13.792 1.00 0.00 H new ATOM 833 N LEU A 53 -3.269 -5.508 10.870 1.00 0.00 N ATOM 834 CA LEU A 53 -4.013 -6.713 11.197 1.00 0.00 C ATOM 835 C LEU A 53 -3.133 -7.960 11.100 1.00 0.00 C ATOM 836 O LEU A 53 -3.505 -9.028 11.586 1.00 0.00 O ATOM 837 CB LEU A 53 -5.222 -6.854 10.268 1.00 0.00 C ATOM 838 CG LEU A 53 -6.583 -6.644 10.940 1.00 0.00 C ATOM 839 CD1 LEU A 53 -7.369 -5.552 10.230 1.00 0.00 C ATOM 840 CD2 LEU A 53 -7.375 -7.943 10.961 1.00 0.00 C ATOM 0 H LEU A 53 -3.284 -5.260 9.881 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.356 -6.623 12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.121 -6.136 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.204 -7.848 9.821 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.411 -6.329 11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.332 -5.418 10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.809 -4.618 10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.530 -5.837 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.338 -7.774 11.442 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.535 -8.288 9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.820 -8.699 11.517 1.00 0.00 H new ATOM 852 N ARG A 54 -1.976 -7.827 10.454 1.00 0.00 N ATOM 853 CA ARG A 54 -1.069 -8.951 10.282 1.00 0.00 C ATOM 854 C ARG A 54 -0.071 -9.065 11.427 1.00 0.00 C ATOM 855 O ARG A 54 -0.007 -10.086 12.111 1.00 0.00 O ATOM 856 CB ARG A 54 -0.322 -8.826 8.952 1.00 0.00 C ATOM 857 CG ARG A 54 -0.219 -10.136 8.187 1.00 0.00 C ATOM 858 CD ARG A 54 0.474 -11.209 9.012 1.00 0.00 C ATOM 859 NE ARG A 54 0.194 -12.552 8.508 1.00 0.00 N ATOM 860 CZ ARG A 54 0.676 -13.665 9.056 1.00 0.00 C ATOM 861 NH1 ARG A 54 1.463 -13.600 10.123 1.00 0.00 N ATOM 862 NH2 ARG A 54 0.371 -14.845 8.535 1.00 0.00 N ATOM 0 H ARG A 54 -1.649 -6.953 10.043 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.674 -9.858 10.281 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.828 -8.089 8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.682 -8.446 9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.217 -10.476 7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.332 -9.975 7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.550 -11.035 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.148 -11.136 10.050 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.406 -12.642 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.701 -12.694 10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.830 -14.456 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.233 -14.900 7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.740 -15.698 8.954 1.00 0.00 H new ATOM 876 N THR A 55 0.716 -8.021 11.613 1.00 0.00 N ATOM 877 CA THR A 55 1.730 -8.001 12.655 1.00 0.00 C ATOM 878 C THR A 55 1.312 -7.137 13.839 1.00 0.00 C ATOM 879 O THR A 55 1.752 -7.359 14.967 1.00 0.00 O ATOM 880 CB THR A 55 3.061 -7.500 12.087 1.00 0.00 C ATOM 881 OG1 THR A 55 2.859 -6.816 10.863 1.00 0.00 O ATOM 882 CG2 THR A 55 4.060 -8.608 11.835 1.00 0.00 C ATOM 0 H THR A 55 0.673 -7.170 11.053 1.00 0.00 H new ATOM 0 HA THR A 55 1.849 -9.023 13.016 1.00 0.00 H new ATOM 0 HB THR A 55 3.467 -6.834 12.849 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.721 -6.503 10.517 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.980 -8.184 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.276 -9.123 12.771 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.644 -9.317 11.119 1.00 0.00 H new ATOM 890 N GLY A 56 0.468 -6.149 13.578 1.00 0.00 N ATOM 891 CA GLY A 56 0.016 -5.265 14.630 1.00 0.00 C ATOM 892 C GLY A 56 0.969 -4.107 14.875 1.00 0.00 C ATOM 893 O GLY A 56 0.638 -3.168 15.598 1.00 0.00 O ATOM 0 H GLY A 56 0.088 -5.944 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.967 -4.872 14.371 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.101 -5.835 15.552 1.00 0.00 H new ATOM 897 N LYS A 57 2.152 -4.172 14.268 1.00 0.00 N ATOM 898 CA LYS A 57 3.150 -3.124 14.419 1.00 0.00 C ATOM 899 C LYS A 57 2.727 -1.865 13.671 1.00 0.00 C ATOM 900 O LYS A 57 1.595 -1.766 13.198 1.00 0.00 O ATOM 901 CB LYS A 57 4.508 -3.607 13.913 1.00 0.00 C ATOM 902 CG LYS A 57 5.580 -3.644 14.990 1.00 0.00 C ATOM 903 CD LYS A 57 6.973 -3.540 14.393 1.00 0.00 C ATOM 904 CE LYS A 57 7.408 -2.091 14.242 1.00 0.00 C ATOM 905 NZ LYS A 57 8.133 -1.600 15.447 1.00 0.00 N ATOM 0 H LYS A 57 2.440 -4.943 13.666 1.00 0.00 H new ATOM 0 HA LYS A 57 3.235 -2.883 15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.395 -4.605 13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.839 -2.954 13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.421 -2.825 15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.495 -4.570 15.558 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.683 -4.070 15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.990 -4.029 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.051 -1.994 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.533 -1.466 14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.412 -0.608 15.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.511 -1.668 16.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.982 -2.180 15.602 1.00 0.00 H new ATOM 919 N THR A 58 3.641 -0.903 13.568 1.00 0.00 N ATOM 920 CA THR A 58 3.356 0.351 12.876 1.00 0.00 C ATOM 921 C THR A 58 2.689 0.090 11.528 1.00 0.00 C ATOM 922 O THR A 58 2.686 -1.039 11.036 1.00 0.00 O ATOM 923 CB THR A 58 4.648 1.150 12.677 1.00 0.00 C ATOM 924 OG1 THR A 58 4.362 2.467 12.240 1.00 0.00 O ATOM 925 CG2 THR A 58 5.594 0.526 11.670 1.00 0.00 C ATOM 0 H THR A 58 4.583 -0.968 13.954 1.00 0.00 H new ATOM 0 HA THR A 58 2.669 0.931 13.492 1.00 0.00 H new ATOM 0 HB THR A 58 5.135 1.154 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.200 2.961 12.121 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.487 1.144 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.876 -0.472 12.005 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.100 0.457 10.701 1.00 0.00 H new ATOM 933 N ARG A 59 2.130 1.137 10.932 1.00 0.00 N ATOM 934 CA ARG A 59 1.473 1.016 9.647 1.00 0.00 C ATOM 935 C ARG A 59 1.468 2.356 8.928 1.00 0.00 C ATOM 936 O ARG A 59 0.417 2.962 8.717 1.00 0.00 O ATOM 937 CB ARG A 59 0.042 0.504 9.823 1.00 0.00 C ATOM 938 CG ARG A 59 -0.713 1.185 10.955 1.00 0.00 C ATOM 939 CD ARG A 59 -1.866 2.028 10.433 1.00 0.00 C ATOM 940 NE ARG A 59 -2.132 3.181 11.290 1.00 0.00 N ATOM 941 CZ ARG A 59 -2.775 3.108 12.453 1.00 0.00 C ATOM 942 NH1 ARG A 59 -3.219 1.941 12.901 1.00 0.00 N ATOM 943 NH2 ARG A 59 -2.973 4.206 13.170 1.00 0.00 N ATOM 0 H ARG A 59 2.122 2.079 11.324 1.00 0.00 H new ATOM 0 HA ARG A 59 2.026 0.297 9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.505 0.652 8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.069 -0.570 10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.095 0.431 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.028 1.816 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.637 2.371 9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.763 1.413 10.364 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.806 4.096 10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.068 1.094 12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.711 1.891 13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.633 5.105 12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.466 4.151 14.061 1.00 0.00 H new ATOM 957 N THR A 60 2.654 2.807 8.549 1.00 0.00 N ATOM 958 CA THR A 60 2.803 4.075 7.843 1.00 0.00 C ATOM 959 C THR A 60 1.919 4.104 6.600 1.00 0.00 C ATOM 960 O THR A 60 1.571 3.058 6.053 1.00 0.00 O ATOM 961 CB THR A 60 4.265 4.294 7.451 1.00 0.00 C ATOM 962 OG1 THR A 60 4.404 5.465 6.666 1.00 0.00 O ATOM 963 CG2 THR A 60 4.851 3.142 6.665 1.00 0.00 C ATOM 0 H THR A 60 3.531 2.314 8.718 1.00 0.00 H new ATOM 0 HA THR A 60 2.491 4.878 8.510 1.00 0.00 H new ATOM 0 HB THR A 60 4.807 4.384 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.336 5.768 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.890 3.361 6.418 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.804 2.232 7.263 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.282 3.002 5.746 1.00 0.00 H new ATOM 971 N ARG A 61 1.551 5.303 6.159 1.00 0.00 N ATOM 972 CA ARG A 61 0.704 5.454 4.988 1.00 0.00 C ATOM 973 C ARG A 61 1.477 6.045 3.818 1.00 0.00 C ATOM 974 O ARG A 61 1.189 5.753 2.657 1.00 0.00 O ATOM 975 CB ARG A 61 -0.507 6.330 5.314 1.00 0.00 C ATOM 976 CG ARG A 61 -1.179 5.975 6.630 1.00 0.00 C ATOM 977 CD ARG A 61 -2.024 7.126 7.152 1.00 0.00 C ATOM 978 NE ARG A 61 -1.938 7.254 8.605 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.279 8.353 9.274 1.00 0.00 C ATOM 980 NH1 ARG A 61 -2.729 9.420 8.626 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.169 8.385 10.595 1.00 0.00 N ATOM 0 H ARG A 61 1.828 6.182 6.597 1.00 0.00 H new ATOM 0 HA ARG A 61 0.358 4.462 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.192 7.373 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.236 6.242 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.806 5.094 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.421 5.715 7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.697 8.056 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.064 6.973 6.863 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.597 6.454 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.815 9.401 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.989 10.259 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.823 7.568 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.430 9.227 11.108 1.00 0.00 H new ATOM 995 N LYS A 62 2.455 6.878 4.132 1.00 0.00 N ATOM 996 CA LYS A 62 3.271 7.516 3.112 1.00 0.00 C ATOM 997 C LYS A 62 4.275 6.537 2.524 1.00 0.00 C ATOM 998 O LYS A 62 4.611 6.608 1.342 1.00 0.00 O ATOM 999 CB LYS A 62 3.991 8.732 3.690 1.00 0.00 C ATOM 1000 CG LYS A 62 3.694 10.025 2.949 1.00 0.00 C ATOM 1001 CD LYS A 62 2.532 10.775 3.581 1.00 0.00 C ATOM 1002 CE LYS A 62 2.586 12.259 3.258 1.00 0.00 C ATOM 1003 NZ LYS A 62 2.515 12.512 1.792 1.00 0.00 N ATOM 0 H LYS A 62 2.704 7.129 5.089 1.00 0.00 H new ATOM 0 HA LYS A 62 2.611 7.847 2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.706 8.849 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.066 8.551 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.581 10.658 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.462 9.804 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.591 10.358 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.552 10.636 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.760 12.769 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.508 12.684 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.452 13.536 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.369 12.135 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.674 12.042 1.399 1.00 0.00 H new ATOM 1017 N GLN A 63 4.745 5.622 3.355 1.00 0.00 N ATOM 1018 CA GLN A 63 5.705 4.622 2.922 1.00 0.00 C ATOM 1019 C GLN A 63 5.013 3.515 2.141 1.00 0.00 C ATOM 1020 O GLN A 63 5.608 2.897 1.257 1.00 0.00 O ATOM 1021 CB GLN A 63 6.454 4.043 4.120 1.00 0.00 C ATOM 1022 CG GLN A 63 7.958 4.254 4.056 1.00 0.00 C ATOM 1023 CD GLN A 63 8.368 5.655 4.466 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.572 6.592 4.397 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.616 5.806 4.895 1.00 0.00 N ATOM 0 H GLN A 63 4.476 5.551 4.336 1.00 0.00 H new ATOM 0 HA GLN A 63 6.427 5.105 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.070 4.498 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.248 2.975 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.451 3.530 4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.306 4.060 3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.242 5.002 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.948 6.726 5.184 1.00 0.00 H new ATOM 1034 N VAL A 64 3.750 3.276 2.467 1.00 0.00 N ATOM 1035 CA VAL A 64 2.973 2.252 1.792 1.00 0.00 C ATOM 1036 C VAL A 64 2.438 2.763 0.460 1.00 0.00 C ATOM 1037 O VAL A 64 2.089 1.976 -0.418 1.00 0.00 O ATOM 1038 CB VAL A 64 1.792 1.763 2.655 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.048 0.634 1.955 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.279 1.319 4.026 1.00 0.00 C ATOM 0 H VAL A 64 3.244 3.779 3.196 1.00 0.00 H new ATOM 0 HA VAL A 64 3.647 1.413 1.618 1.00 0.00 H new ATOM 0 HB VAL A 64 1.100 2.594 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.218 0.303 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.663 0.990 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.729 -0.200 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.431 0.977 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.994 0.504 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.761 2.157 4.530 1.00 0.00 H new ATOM 1050 N SER A 65 2.387 4.082 0.308 1.00 0.00 N ATOM 1051 CA SER A 65 1.907 4.682 -0.923 1.00 0.00 C ATOM 1052 C SER A 65 3.040 4.765 -1.929 1.00 0.00 C ATOM 1053 O SER A 65 2.834 4.643 -3.136 1.00 0.00 O ATOM 1054 CB SER A 65 1.329 6.073 -0.657 1.00 0.00 C ATOM 1055 OG SER A 65 1.227 6.822 -1.856 1.00 0.00 O ATOM 0 H SER A 65 2.672 4.751 1.023 1.00 0.00 H new ATOM 0 HA SER A 65 1.113 4.057 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.345 5.979 -0.198 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.963 6.603 0.054 1.00 0.00 H new ATOM 0 HG SER A 65 0.853 7.706 -1.659 1.00 0.00 H new ATOM 1061 N SER A 66 4.240 4.959 -1.409 1.00 0.00 N ATOM 1062 CA SER A 66 5.431 5.045 -2.231 1.00 0.00 C ATOM 1063 C SER A 66 5.774 3.683 -2.811 1.00 0.00 C ATOM 1064 O SER A 66 6.282 3.575 -3.927 1.00 0.00 O ATOM 1065 CB SER A 66 6.591 5.566 -1.398 1.00 0.00 C ATOM 1066 OG SER A 66 7.322 6.559 -2.097 1.00 0.00 O ATOM 0 H SER A 66 4.414 5.061 -0.409 1.00 0.00 H new ATOM 0 HA SER A 66 5.243 5.734 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.213 5.980 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.253 4.741 -1.136 1.00 0.00 H new ATOM 0 HG SER A 66 8.060 6.877 -1.537 1.00 0.00 H new ATOM 1072 N HIS A 67 5.491 2.647 -2.037 1.00 0.00 N ATOM 1073 CA HIS A 67 5.764 1.279 -2.454 1.00 0.00 C ATOM 1074 C HIS A 67 4.853 0.863 -3.598 1.00 0.00 C ATOM 1075 O HIS A 67 5.271 0.151 -4.511 1.00 0.00 O ATOM 1076 CB HIS A 67 5.602 0.319 -1.274 1.00 0.00 C ATOM 1077 CG HIS A 67 6.284 -0.998 -1.476 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.825 -2.264 -1.336 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.601 -1.111 -1.869 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.863 -3.109 -1.644 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.923 -2.389 -1.962 1.00 0.00 N flip ATOM 0 H HIS A 67 5.070 2.728 -1.111 1.00 0.00 H new ATOM 0 HA HIS A 67 6.794 1.235 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.000 0.791 -0.375 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.540 0.146 -1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.266 -0.284 -2.070 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.819 -4.188 -1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.835 -2.757 -2.233 1.00 0.00 H new ATOM 1090 N ILE A 68 3.610 1.314 -3.547 1.00 0.00 N ATOM 1091 CA ILE A 68 2.644 0.991 -4.586 1.00 0.00 C ATOM 1092 C ILE A 68 2.969 1.732 -5.874 1.00 0.00 C ATOM 1093 O ILE A 68 2.639 1.276 -6.968 1.00 0.00 O ATOM 1094 CB ILE A 68 1.202 1.331 -4.160 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.904 0.767 -2.770 1.00 0.00 C ATOM 1096 CG2 ILE A 68 0.209 0.787 -5.176 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.105 1.586 -1.995 1.00 0.00 C ATOM 0 H ILE A 68 3.246 1.904 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 68 2.711 -0.084 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 68 1.101 2.416 -4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.533 -0.253 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.832 0.713 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.805 1.035 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.406 1.232 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.314 -0.296 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.270 1.131 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.273 2.600 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.046 1.619 -2.544 1.00 0.00 H new ATOM 1109 N GLN A 69 3.624 2.878 -5.734 1.00 0.00 N ATOM 1110 CA GLN A 69 4.002 3.685 -6.881 1.00 0.00 C ATOM 1111 C GLN A 69 5.162 3.045 -7.632 1.00 0.00 C ATOM 1112 O GLN A 69 5.310 3.229 -8.840 1.00 0.00 O ATOM 1113 CB GLN A 69 4.376 5.101 -6.438 1.00 0.00 C ATOM 1114 CG GLN A 69 3.193 5.906 -5.922 1.00 0.00 C ATOM 1115 CD GLN A 69 3.152 7.311 -6.489 1.00 0.00 C ATOM 1116 OE1 GLN A 69 3.654 7.566 -7.584 1.00 0.00 O ATOM 1117 NE2 GLN A 69 2.553 8.233 -5.744 1.00 0.00 N ATOM 0 H GLN A 69 3.904 3.268 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 69 3.146 3.743 -7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.133 5.041 -5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.826 5.629 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.268 5.389 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.241 5.958 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.150 7.977 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.496 9.197 -6.074 1.00 0.00 H new ATOM 1126 N VAL A 70 5.979 2.289 -6.909 1.00 0.00 N ATOM 1127 CA VAL A 70 7.122 1.616 -7.507 1.00 0.00 C ATOM 1128 C VAL A 70 6.683 0.415 -8.333 1.00 0.00 C ATOM 1129 O VAL A 70 7.387 -0.016 -9.245 1.00 0.00 O ATOM 1130 CB VAL A 70 8.137 1.156 -6.453 1.00 0.00 C ATOM 1131 CG1 VAL A 70 9.504 0.945 -7.083 1.00 0.00 C ATOM 1132 CG2 VAL A 70 8.220 2.152 -5.304 1.00 0.00 C ATOM 0 H VAL A 70 5.870 2.127 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 70 7.604 2.348 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 70 7.796 0.204 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.210 0.619 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.433 0.184 -7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.851 1.881 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.947 1.802 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.530 3.124 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.242 2.244 -4.831 1.00 0.00 H new ATOM 1142 N LEU A 71 5.511 -0.119 -8.013 1.00 0.00 N ATOM 1143 CA LEU A 71 4.977 -1.263 -8.733 1.00 0.00 C ATOM 1144 C LEU A 71 4.368 -0.827 -10.061 1.00 0.00 C ATOM 1145 O LEU A 71 4.256 -1.620 -10.995 1.00 0.00 O ATOM 1146 CB LEU A 71 3.936 -1.990 -7.884 1.00 0.00 C ATOM 1147 CG LEU A 71 4.289 -3.434 -7.523 1.00 0.00 C ATOM 1148 CD1 LEU A 71 5.139 -3.477 -6.263 1.00 0.00 C ATOM 1149 CD2 LEU A 71 3.025 -4.261 -7.344 1.00 0.00 C ATOM 0 H LEU A 71 4.914 0.223 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 71 5.798 -1.950 -8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.784 -1.428 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.987 -1.987 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 71 4.868 -3.862 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.380 -4.512 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.061 -2.918 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.586 -3.031 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.294 -5.286 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.421 -3.833 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.453 -4.257 -8.272 1.00 0.00 H new ATOM 1161 N ALA A 72 3.979 0.441 -10.136 1.00 0.00 N ATOM 1162 CA ALA A 72 3.385 0.987 -11.345 1.00 0.00 C ATOM 1163 C ALA A 72 4.445 1.253 -12.403 1.00 0.00 C ATOM 1164 O ALA A 72 4.183 1.148 -13.601 1.00 0.00 O ATOM 1165 CB ALA A 72 2.614 2.260 -11.030 1.00 0.00 C ATOM 0 H ALA A 72 4.066 1.109 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 72 2.690 0.248 -11.744 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.176 2.656 -11.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.822 2.038 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.291 2.999 -10.603 1.00 0.00 H new ATOM 1171 N ARG A 73 5.644 1.595 -11.951 1.00 0.00 N ATOM 1172 CA ARG A 73 6.747 1.872 -12.859 1.00 0.00 C ATOM 1173 C ARG A 73 7.275 0.582 -13.466 1.00 0.00 C ATOM 1174 O ARG A 73 7.684 0.546 -14.627 1.00 0.00 O ATOM 1175 CB ARG A 73 7.872 2.609 -12.132 1.00 0.00 C ATOM 1176 CG ARG A 73 8.378 1.884 -10.898 1.00 0.00 C ATOM 1177 CD ARG A 73 9.737 2.408 -10.462 1.00 0.00 C ATOM 1178 NE ARG A 73 10.833 1.708 -11.128 1.00 0.00 N ATOM 1179 CZ ARG A 73 12.118 1.904 -10.844 1.00 0.00 C ATOM 1180 NH1 ARG A 73 12.474 2.776 -9.909 1.00 0.00 N ATOM 1181 NH2 ARG A 73 13.052 1.225 -11.498 1.00 0.00 N ATOM 0 H ARG A 73 5.877 1.687 -10.962 1.00 0.00 H new ATOM 0 HA ARG A 73 6.375 2.510 -13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.703 2.757 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.518 3.598 -11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.662 2.005 -10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.448 0.816 -11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.802 3.474 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.839 2.297 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 73 10.599 1.030 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.761 3.301 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.461 2.921 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.785 0.554 -12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.037 1.375 -11.281 1.00 0.00 H new ATOM 1195 N ARG A 74 7.258 -0.473 -12.669 1.00 0.00 N ATOM 1196 CA ARG A 74 7.729 -1.777 -13.112 1.00 0.00 C ATOM 1197 C ARG A 74 6.749 -2.401 -14.097 1.00 0.00 C ATOM 1198 O ARG A 74 7.136 -3.177 -14.971 1.00 0.00 O ATOM 1199 CB ARG A 74 7.930 -2.707 -11.914 1.00 0.00 C ATOM 1200 CG ARG A 74 8.894 -3.850 -12.186 1.00 0.00 C ATOM 1201 CD ARG A 74 8.995 -4.790 -10.996 1.00 0.00 C ATOM 1202 NE ARG A 74 10.219 -5.588 -11.030 1.00 0.00 N ATOM 1203 CZ ARG A 74 10.377 -6.669 -11.791 1.00 0.00 C ATOM 1204 NH1 ARG A 74 9.394 -7.083 -12.580 1.00 0.00 N ATOM 1205 NH2 ARG A 74 11.522 -7.336 -11.763 1.00 0.00 N ATOM 0 H ARG A 74 6.921 -0.453 -11.706 1.00 0.00 H new ATOM 0 HA ARG A 74 8.685 -1.638 -13.616 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.299 -2.124 -11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.965 -3.119 -11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.562 -4.406 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.880 -3.448 -12.418 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.966 -4.211 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.130 -5.453 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 74 10.997 -5.300 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.511 -6.572 -12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.521 -7.912 -13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.281 -7.021 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.644 -8.164 -12.346 1.00 0.00 H new ATOM 1219 N LYS A 75 5.478 -2.054 -13.948 1.00 0.00 N ATOM 1220 CA LYS A 75 4.433 -2.571 -14.818 1.00 0.00 C ATOM 1221 C LYS A 75 4.348 -1.772 -16.116 1.00 0.00 C ATOM 1222 O LYS A 75 3.792 -2.242 -17.109 1.00 0.00 O ATOM 1223 CB LYS A 75 3.083 -2.545 -14.099 1.00 0.00 C ATOM 1224 CG LYS A 75 2.789 -3.810 -13.310 1.00 0.00 C ATOM 1225 CD LYS A 75 1.889 -3.527 -12.118 1.00 0.00 C ATOM 1226 CE LYS A 75 0.437 -3.859 -12.424 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.248 -4.482 -11.258 1.00 0.00 N ATOM 0 H LYS A 75 5.145 -1.413 -13.228 1.00 0.00 H new ATOM 0 HA LYS A 75 4.686 -3.601 -15.068 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.058 -1.691 -13.422 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.292 -2.393 -14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.313 -4.543 -13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.724 -4.250 -12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.224 -4.111 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.972 -2.476 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.091 -2.949 -12.711 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.391 -4.537 -13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.278 -4.431 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.041 -5.478 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.014 -3.974 -10.389 1.00 0.00 H new ATOM 1241 N SER A 76 4.899 -0.562 -16.101 1.00 0.00 N ATOM 1242 CA SER A 76 4.882 0.301 -17.277 1.00 0.00 C ATOM 1243 C SER A 76 5.660 -0.320 -18.435 1.00 0.00 C ATOM 1244 O SER A 76 5.511 0.096 -19.584 1.00 0.00 O ATOM 1245 CB SER A 76 5.464 1.674 -16.935 1.00 0.00 C ATOM 1246 OG SER A 76 4.762 2.706 -17.605 1.00 0.00 O ATOM 0 H SER A 76 5.363 -0.157 -15.288 1.00 0.00 H new ATOM 0 HA SER A 76 3.844 0.417 -17.589 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.414 1.836 -15.858 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.517 1.706 -17.214 1.00 0.00 H new ATOM 0 HG SER A 76 5.152 3.574 -17.369 1.00 0.00 H new ATOM 1252 N ARG A 77 6.486 -1.317 -18.131 1.00 0.00 N ATOM 1253 CA ARG A 77 7.278 -1.990 -19.155 1.00 0.00 C ATOM 1254 C ARG A 77 6.388 -2.542 -20.266 1.00 0.00 C ATOM 1255 O ARG A 77 6.853 -2.795 -21.377 1.00 0.00 O ATOM 1256 CB ARG A 77 8.099 -3.122 -18.532 1.00 0.00 C ATOM 1257 CG ARG A 77 9.476 -2.685 -18.059 1.00 0.00 C ATOM 1258 CD ARG A 77 10.506 -3.786 -18.252 1.00 0.00 C ATOM 1259 NE ARG A 77 11.804 -3.255 -18.661 1.00 0.00 N ATOM 1260 CZ ARG A 77 12.054 -2.757 -19.870 1.00 0.00 C ATOM 1261 NH1 ARG A 77 11.098 -2.719 -20.790 1.00 0.00 N ATOM 1262 NH2 ARG A 77 13.262 -2.294 -20.159 1.00 0.00 N ATOM 0 H ARG A 77 6.624 -1.676 -17.186 1.00 0.00 H new ATOM 0 HA ARG A 77 7.955 -1.256 -19.592 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.549 -3.537 -17.688 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.212 -3.923 -19.263 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.785 -1.796 -18.608 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.430 -2.409 -17.005 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.619 -4.344 -17.322 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.149 -4.489 -19.004 1.00 0.00 H new ATOM 0 HE ARG A 77 12.563 -3.266 -17.980 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.166 -3.072 -20.572 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.295 -2.336 -21.715 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.000 -2.319 -19.455 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.454 -1.912 -21.085 1.00 0.00 H new ATOM 1276 N ASP A 78 5.108 -2.728 -19.958 1.00 0.00 N ATOM 1277 CA ASP A 78 4.158 -3.248 -20.926 1.00 0.00 C ATOM 1278 C ASP A 78 3.377 -2.118 -21.591 1.00 0.00 C ATOM 1279 O ASP A 78 2.224 -2.296 -21.985 1.00 0.00 O ATOM 1280 CB ASP A 78 3.198 -4.227 -20.253 1.00 0.00 C ATOM 1281 CG ASP A 78 3.310 -5.629 -20.818 1.00 0.00 C ATOM 1282 OD1 ASP A 78 2.590 -5.937 -21.791 1.00 0.00 O ATOM 1283 OD2 ASP A 78 4.118 -6.420 -20.287 1.00 0.00 O ATOM 0 H ASP A 78 4.708 -2.525 -19.042 1.00 0.00 H new ATOM 0 HA ASP A 78 4.718 -3.775 -21.699 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.401 -4.253 -19.182 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.175 -3.870 -20.375 1.00 0.00 H new ATOM 1288 N LEU A 79 4.010 -0.955 -21.711 1.00 0.00 N ATOM 1289 CA LEU A 79 3.372 0.202 -22.328 1.00 0.00 C ATOM 1290 C LEU A 79 2.986 -0.094 -23.773 1.00 0.00 C ATOM 1291 O LEU A 79 3.796 0.062 -24.687 1.00 0.00 O ATOM 1292 CB LEU A 79 4.306 1.413 -22.275 1.00 0.00 C ATOM 1293 CG LEU A 79 3.609 2.759 -22.066 1.00 0.00 C ATOM 1294 CD1 LEU A 79 4.527 3.728 -21.338 1.00 0.00 C ATOM 1295 CD2 LEU A 79 3.167 3.341 -23.400 1.00 0.00 C ATOM 0 H LEU A 79 4.964 -0.789 -21.389 1.00 0.00 H new ATOM 0 HA LEU A 79 2.464 0.426 -21.768 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.024 1.264 -21.469 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.874 1.456 -23.204 1.00 0.00 H new ATOM 0 HG LEU A 79 2.724 2.598 -21.450 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.014 4.680 -21.198 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.795 3.314 -20.366 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.430 3.886 -21.927 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.673 4.298 -23.234 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.038 3.488 -24.039 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.473 2.654 -23.885 1.00 0.00 H new ATOM 1307 N VAL A 80 1.743 -0.521 -23.973 1.00 0.00 N ATOM 1308 CA VAL A 80 1.248 -0.837 -25.299 1.00 0.00 C ATOM 1309 C VAL A 80 -0.158 -0.282 -25.513 1.00 0.00 C ATOM 1310 O VAL A 80 -1.137 -1.029 -25.510 1.00 0.00 O ATOM 1311 CB VAL A 80 1.238 -2.347 -25.545 1.00 0.00 C ATOM 1312 CG1 VAL A 80 0.884 -2.656 -26.992 1.00 0.00 C ATOM 1313 CG2 VAL A 80 2.578 -2.962 -25.170 1.00 0.00 C ATOM 0 H VAL A 80 1.061 -0.655 -23.227 1.00 0.00 H new ATOM 0 HA VAL A 80 1.927 -0.367 -26.010 1.00 0.00 H new ATOM 0 HB VAL A 80 0.472 -2.791 -24.909 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.883 -3.735 -27.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.105 -2.257 -27.218 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.620 -2.197 -27.653 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.549 -4.036 -25.353 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.366 -2.512 -25.774 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.780 -2.779 -24.115 1.00 0.00 H new ATOM 1323 N PRO A 81 -0.277 1.043 -25.703 1.00 0.00 N ATOM 1324 CA PRO A 81 -1.563 1.703 -25.919 1.00 0.00 C ATOM 1325 C PRO A 81 -2.069 1.527 -27.349 1.00 0.00 C ATOM 1326 O PRO A 81 -2.330 2.502 -28.052 1.00 0.00 O ATOM 1327 CB PRO A 81 -1.273 3.184 -25.625 1.00 0.00 C ATOM 1328 CG PRO A 81 0.168 3.261 -25.221 1.00 0.00 C ATOM 1329 CD PRO A 81 0.825 2.007 -25.721 1.00 0.00 C ATOM 0 HA PRO A 81 -2.344 1.283 -25.286 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.463 3.799 -26.505 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.920 3.556 -24.830 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.643 4.144 -25.649 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.262 3.342 -24.138 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.235 2.136 -26.723 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.647 1.695 -25.077 1.00 0.00 H new ATOM 1337 N ARG A 82 -2.207 0.274 -27.772 1.00 0.00 N ATOM 1338 CA ARG A 82 -2.683 -0.029 -29.117 1.00 0.00 C ATOM 1339 C ARG A 82 -4.089 0.520 -29.333 1.00 0.00 C ATOM 1340 O ARG A 82 -4.982 0.194 -28.524 1.00 0.00 O ATOM 1341 CB ARG A 82 -2.671 -1.540 -29.356 1.00 0.00 C ATOM 1342 CG ARG A 82 -1.334 -2.066 -29.854 1.00 0.00 C ATOM 1343 CD ARG A 82 -1.518 -3.176 -30.878 1.00 0.00 C ATOM 1344 NE ARG A 82 -0.484 -3.145 -31.910 1.00 0.00 N ATOM 1345 CZ ARG A 82 -0.593 -3.759 -33.086 1.00 0.00 C ATOM 1346 NH1 ARG A 82 -1.685 -4.452 -33.383 1.00 0.00 N ATOM 1347 NH2 ARG A 82 0.395 -3.681 -33.967 1.00 0.00 N ATOM 1348 OXT ARG A 82 -4.285 1.274 -30.310 1.00 0.00 O ATOM 0 H ARG A 82 -1.996 -0.546 -27.204 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.012 0.450 -29.830 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.929 -2.049 -28.427 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.444 -1.791 -30.082 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.764 -1.250 -30.299 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.752 -2.440 -29.011 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.498 -4.142 -30.373 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.499 -3.080 -31.344 1.00 0.00 H new ATOM 0 HE ARG A 82 0.371 -2.623 -31.718 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.447 -4.517 -32.708 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.762 -4.920 -34.286 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.237 -3.151 -33.743 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.313 -4.151 -34.868 1.00 0.00 H new TER 1362 ARG A 82