USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 60 SER OG : rot -22:sc= 0.534 USER MOD Set 1.2: A 68 SER OG : rot -140:sc= 0.39 USER MOD Set 2.1: A 14 TYR OH : rot 117:sc= 0.504 USER MOD Set 2.2: A 50 GLN : amide:sc= -0.0045 X(o=0.5,f=0.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -140:sc= 0 USER MOD Single : A 6 SER OG : rot -54:sc= 0.183 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 27 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0188) USER MOD Single : A 29 THR OG1 : rot -119:sc= 0.626 USER MOD Single : A 30 GLN : amide:sc= 0.0785 X(o=0.079,f=-0.0021) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 48 GLN : amide:sc= -0.0961 K(o=-0.096,f=-2.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc=-0.00189 (180deg=-0.122) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 122:sc= -0.112 (180deg=-0.657) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 20:sc= 0.063 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.607 20.608 -1.418 1.00 0.00 N ATOM 2 CA GLY A 1 20.268 19.219 -1.668 1.00 0.00 C ATOM 3 C GLY A 1 19.382 19.049 -2.886 1.00 0.00 C ATOM 4 O GLY A 1 18.232 19.489 -2.892 1.00 0.00 O ATOM 0 H1 GLY A 1 21.214 20.671 -0.576 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.114 20.995 -2.239 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.737 21.155 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.184 18.644 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.762 18.809 -0.794 1.00 0.00 H new ATOM 8 N SER A 2 19.918 18.411 -3.921 1.00 0.00 N ATOM 9 CA SER A 2 19.170 18.189 -5.153 1.00 0.00 C ATOM 10 C SER A 2 19.232 16.722 -5.569 1.00 0.00 C ATOM 11 O SER A 2 19.379 16.406 -6.750 1.00 0.00 O ATOM 12 CB SER A 2 19.720 19.072 -6.275 1.00 0.00 C ATOM 13 OG SER A 2 19.102 20.347 -6.269 1.00 0.00 O ATOM 0 H SER A 2 20.868 18.039 -3.931 1.00 0.00 H new ATOM 0 HA SER A 2 18.129 18.454 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.798 19.186 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.554 18.588 -7.238 1.00 0.00 H new ATOM 0 HG SER A 2 19.472 20.893 -6.994 1.00 0.00 H new ATOM 19 N SER A 3 19.118 15.831 -4.590 1.00 0.00 N ATOM 20 CA SER A 3 19.164 14.397 -4.852 1.00 0.00 C ATOM 21 C SER A 3 17.862 13.918 -5.486 1.00 0.00 C ATOM 22 O SER A 3 17.869 13.270 -6.532 1.00 0.00 O ATOM 23 CB SER A 3 19.426 13.628 -3.556 1.00 0.00 C ATOM 24 OG SER A 3 19.801 12.288 -3.824 1.00 0.00 O ATOM 0 H SER A 3 18.993 16.076 -3.608 1.00 0.00 H new ATOM 0 HA SER A 3 19.979 14.207 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.214 14.123 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.531 13.641 -2.935 1.00 0.00 H new ATOM 0 HG SER A 3 19.964 11.819 -2.979 1.00 0.00 H new ATOM 30 N GLY A 4 16.744 14.244 -4.845 1.00 0.00 N ATOM 31 CA GLY A 4 15.448 13.840 -5.360 1.00 0.00 C ATOM 32 C GLY A 4 14.496 15.009 -5.516 1.00 0.00 C ATOM 33 O GLY A 4 14.905 16.167 -5.435 1.00 0.00 O ATOM 0 H GLY A 4 16.712 14.781 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.580 13.352 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.007 13.104 -4.688 1.00 0.00 H new ATOM 37 N SER A 5 13.221 14.706 -5.741 1.00 0.00 N ATOM 38 CA SER A 5 12.209 15.741 -5.914 1.00 0.00 C ATOM 39 C SER A 5 11.309 15.831 -4.686 1.00 0.00 C ATOM 40 O SER A 5 11.085 16.913 -4.144 1.00 0.00 O ATOM 41 CB SER A 5 11.365 15.456 -7.159 1.00 0.00 C ATOM 42 OG SER A 5 10.853 16.655 -7.713 1.00 0.00 O ATOM 0 H SER A 5 12.865 13.752 -5.808 1.00 0.00 H new ATOM 0 HA SER A 5 12.719 16.696 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.971 14.938 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.541 14.791 -6.899 1.00 0.00 H new ATOM 0 HG SER A 5 9.931 16.509 -8.013 1.00 0.00 H new ATOM 48 N SER A 6 10.795 14.684 -4.251 1.00 0.00 N ATOM 49 CA SER A 6 9.915 14.633 -3.089 1.00 0.00 C ATOM 50 C SER A 6 8.579 15.305 -3.389 1.00 0.00 C ATOM 51 O SER A 6 8.042 16.040 -2.561 1.00 0.00 O ATOM 52 CB SER A 6 10.581 15.308 -1.889 1.00 0.00 C ATOM 53 OG SER A 6 9.899 14.998 -0.686 1.00 0.00 O ATOM 0 H SER A 6 10.973 13.779 -4.686 1.00 0.00 H new ATOM 0 HA SER A 6 9.729 13.586 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.619 14.984 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.593 16.388 -2.036 1.00 0.00 H new ATOM 0 HG SER A 6 8.949 15.217 -0.783 1.00 0.00 H new ATOM 59 N GLY A 7 8.048 15.047 -4.580 1.00 0.00 N ATOM 60 CA GLY A 7 6.779 15.634 -4.969 1.00 0.00 C ATOM 61 C GLY A 7 6.718 15.954 -6.450 1.00 0.00 C ATOM 62 O GLY A 7 6.393 17.077 -6.836 1.00 0.00 O ATOM 0 H GLY A 7 8.474 14.442 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.971 14.947 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.613 16.546 -4.396 1.00 0.00 H new ATOM 66 N ARG A 8 7.032 14.965 -7.280 1.00 0.00 N ATOM 67 CA ARG A 8 7.014 15.148 -8.727 1.00 0.00 C ATOM 68 C ARG A 8 5.614 15.515 -9.211 1.00 0.00 C ATOM 69 O ARG A 8 5.410 16.570 -9.812 1.00 0.00 O ATOM 70 CB ARG A 8 7.491 13.875 -9.429 1.00 0.00 C ATOM 71 CG ARG A 8 8.157 14.133 -10.770 1.00 0.00 C ATOM 72 CD ARG A 8 9.626 14.492 -10.603 1.00 0.00 C ATOM 73 NE ARG A 8 10.258 14.819 -11.878 1.00 0.00 N ATOM 74 CZ ARG A 8 11.573 14.904 -12.046 1.00 0.00 C ATOM 75 NH1 ARG A 8 12.390 14.687 -11.025 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.072 15.206 -13.237 1.00 0.00 N ATOM 0 H ARG A 8 7.302 14.029 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 8 7.691 15.966 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.193 13.353 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.639 13.211 -9.577 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.067 13.247 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.640 14.943 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.717 15.341 -9.925 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.153 13.657 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 8 9.657 14.992 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.009 14.454 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.399 14.753 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.446 15.373 -14.025 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.082 15.271 -13.365 1.00 0.00 H new ATOM 90 N LYS A 9 4.653 14.637 -8.946 1.00 0.00 N ATOM 91 CA LYS A 9 3.272 14.867 -9.354 1.00 0.00 C ATOM 92 C LYS A 9 2.491 15.577 -8.252 1.00 0.00 C ATOM 93 O LYS A 9 2.814 15.480 -7.068 1.00 0.00 O ATOM 94 CB LYS A 9 2.593 13.541 -9.702 1.00 0.00 C ATOM 95 CG LYS A 9 2.915 13.041 -11.100 1.00 0.00 C ATOM 96 CD LYS A 9 4.150 12.156 -11.105 1.00 0.00 C ATOM 97 CE LYS A 9 3.802 10.713 -10.772 1.00 0.00 C ATOM 98 NZ LYS A 9 3.381 9.951 -11.980 1.00 0.00 N ATOM 0 H LYS A 9 4.805 13.759 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 9 3.282 15.505 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.896 12.786 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.514 13.659 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.065 12.483 -11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.073 13.891 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.627 12.200 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.873 12.534 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.666 10.227 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.001 10.694 -10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.152 8.973 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.542 10.400 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.155 9.947 -12.675 1.00 0.00 H new ATOM 112 N PRO A 10 1.437 16.306 -8.648 1.00 0.00 N ATOM 113 CA PRO A 10 0.587 17.043 -7.709 1.00 0.00 C ATOM 114 C PRO A 10 -0.256 16.117 -6.840 1.00 0.00 C ATOM 115 O PRO A 10 -0.841 16.546 -5.845 1.00 0.00 O ATOM 116 CB PRO A 10 -0.310 17.881 -8.624 1.00 0.00 C ATOM 117 CG PRO A 10 -0.350 17.126 -9.908 1.00 0.00 C ATOM 118 CD PRO A 10 0.994 16.465 -10.043 1.00 0.00 C ATOM 0 HA PRO A 10 1.174 17.635 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.308 17.997 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.095 18.883 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.150 16.386 -9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.542 17.794 -10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.920 15.505 -10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.688 17.079 -10.618 1.00 0.00 H new ATOM 126 N ARG A 11 -0.314 14.845 -7.221 1.00 0.00 N ATOM 127 CA ARG A 11 -1.086 13.858 -6.476 1.00 0.00 C ATOM 128 C ARG A 11 -0.223 12.654 -6.112 1.00 0.00 C ATOM 129 O ARG A 11 0.708 12.301 -6.837 1.00 0.00 O ATOM 130 CB ARG A 11 -2.296 13.403 -7.294 1.00 0.00 C ATOM 131 CG ARG A 11 -1.926 12.719 -8.600 1.00 0.00 C ATOM 132 CD ARG A 11 -1.767 11.218 -8.416 1.00 0.00 C ATOM 133 NE ARG A 11 -3.032 10.570 -8.081 1.00 0.00 N ATOM 134 CZ ARG A 11 -3.965 10.271 -8.978 1.00 0.00 C ATOM 135 NH1 ARG A 11 -3.775 10.559 -10.258 1.00 0.00 N ATOM 136 NH2 ARG A 11 -5.091 9.682 -8.595 1.00 0.00 N ATOM 0 H ARG A 11 0.165 14.474 -8.042 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.433 14.326 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.894 12.719 -6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.923 14.268 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.696 12.916 -9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.996 13.140 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.367 10.781 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.041 11.025 -7.627 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.209 10.334 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.911 11.011 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.493 10.328 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.241 9.459 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.807 9.453 -9.285 1.00 0.00 H new ATOM 150 N THR A 12 -0.538 12.027 -4.983 1.00 0.00 N ATOM 151 CA THR A 12 0.209 10.863 -4.521 1.00 0.00 C ATOM 152 C THR A 12 -0.122 9.631 -5.355 1.00 0.00 C ATOM 153 O THR A 12 -1.191 9.549 -5.960 1.00 0.00 O ATOM 154 CB THR A 12 -0.082 10.561 -3.039 1.00 0.00 C ATOM 155 OG1 THR A 12 0.181 11.720 -2.241 1.00 0.00 O ATOM 156 CG2 THR A 12 0.766 9.398 -2.548 1.00 0.00 C ATOM 0 H THR A 12 -1.305 12.306 -4.371 1.00 0.00 H new ATOM 0 HA THR A 12 1.267 11.100 -4.634 1.00 0.00 H new ATOM 0 HB THR A 12 -1.133 10.289 -2.946 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.008 11.520 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.543 9.203 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.541 8.509 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.822 9.647 -2.655 1.00 0.00 H new ATOM 164 N ILE A 13 0.800 8.674 -5.380 1.00 0.00 N ATOM 165 CA ILE A 13 0.604 7.445 -6.138 1.00 0.00 C ATOM 166 C ILE A 13 -0.763 6.833 -5.849 1.00 0.00 C ATOM 167 O ILE A 13 -1.262 6.011 -6.618 1.00 0.00 O ATOM 168 CB ILE A 13 1.696 6.407 -5.821 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.083 6.993 -6.095 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.479 5.142 -6.637 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.324 7.316 -7.553 1.00 0.00 C ATOM 0 H ILE A 13 1.690 8.727 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 13 0.664 7.712 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 13 1.634 6.148 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.208 7.901 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.841 6.286 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.259 4.419 -6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.505 4.716 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.517 5.383 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.326 7.727 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.231 6.407 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.589 8.047 -7.890 1.00 0.00 H new ATOM 183 N TYR A 14 -1.363 7.240 -4.737 1.00 0.00 N ATOM 184 CA TYR A 14 -2.672 6.731 -4.345 1.00 0.00 C ATOM 185 C TYR A 14 -3.541 7.847 -3.771 1.00 0.00 C ATOM 186 O TYR A 14 -3.051 8.729 -3.065 1.00 0.00 O ATOM 187 CB TYR A 14 -2.520 5.608 -3.318 1.00 0.00 C ATOM 188 CG TYR A 14 -2.087 4.291 -3.920 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.766 4.073 -4.288 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.001 3.263 -4.121 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.366 2.872 -4.840 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.610 2.058 -4.671 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.292 1.867 -5.029 1.00 0.00 C ATOM 194 OH TYR A 14 -0.898 0.668 -5.577 1.00 0.00 O ATOM 0 H TYR A 14 -0.964 7.921 -4.091 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.161 6.336 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.791 5.911 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.470 5.467 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.038 4.857 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.034 3.409 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.665 2.720 -5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.333 1.269 -4.820 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.032 -0.050 -4.924 1.00 0.00 H new ATOM 204 N SER A 15 -4.833 7.799 -4.078 1.00 0.00 N ATOM 205 CA SER A 15 -5.771 8.807 -3.596 1.00 0.00 C ATOM 206 C SER A 15 -5.907 8.740 -2.078 1.00 0.00 C ATOM 207 O SER A 15 -5.712 7.686 -1.472 1.00 0.00 O ATOM 208 CB SER A 15 -7.140 8.615 -4.251 1.00 0.00 C ATOM 209 OG SER A 15 -7.988 9.720 -3.993 1.00 0.00 O ATOM 0 H SER A 15 -5.254 7.073 -4.658 1.00 0.00 H new ATOM 0 HA SER A 15 -5.382 9.789 -3.866 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.018 8.490 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.602 7.702 -3.875 1.00 0.00 H new ATOM 0 HG SER A 15 -8.856 9.574 -4.424 1.00 0.00 H new ATOM 215 N SER A 16 -6.242 9.873 -1.470 1.00 0.00 N ATOM 216 CA SER A 16 -6.401 9.946 -0.022 1.00 0.00 C ATOM 217 C SER A 16 -7.414 8.915 0.466 1.00 0.00 C ATOM 218 O SER A 16 -7.255 8.330 1.537 1.00 0.00 O ATOM 219 CB SER A 16 -6.844 11.350 0.394 1.00 0.00 C ATOM 220 OG SER A 16 -8.033 11.729 -0.277 1.00 0.00 O ATOM 0 H SER A 16 -6.409 10.753 -1.957 1.00 0.00 H new ATOM 0 HA SER A 16 -5.436 9.727 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.006 11.379 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.053 12.066 0.171 1.00 0.00 H new ATOM 0 HG SER A 16 -8.296 12.629 0.007 1.00 0.00 H new ATOM 226 N PHE A 17 -8.458 8.699 -0.328 1.00 0.00 N ATOM 227 CA PHE A 17 -9.499 7.740 0.021 1.00 0.00 C ATOM 228 C PHE A 17 -8.947 6.318 0.033 1.00 0.00 C ATOM 229 O PHE A 17 -9.226 5.541 0.945 1.00 0.00 O ATOM 230 CB PHE A 17 -10.665 7.839 -0.964 1.00 0.00 C ATOM 231 CG PHE A 17 -11.437 6.559 -1.110 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.291 6.131 -0.106 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.309 5.783 -2.251 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.002 4.953 -0.237 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.018 4.604 -2.388 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.866 4.189 -1.380 1.00 0.00 C ATOM 0 H PHE A 17 -8.605 9.176 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.858 7.980 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.342 8.627 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.281 8.136 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.402 6.725 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.648 6.103 -3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.663 4.630 0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.909 4.008 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.422 3.269 -1.485 1.00 0.00 H new ATOM 246 N GLN A 18 -8.163 5.985 -0.988 1.00 0.00 N ATOM 247 CA GLN A 18 -7.573 4.656 -1.096 1.00 0.00 C ATOM 248 C GLN A 18 -6.497 4.451 -0.035 1.00 0.00 C ATOM 249 O GLN A 18 -6.386 3.373 0.550 1.00 0.00 O ATOM 250 CB GLN A 18 -6.978 4.452 -2.490 1.00 0.00 C ATOM 251 CG GLN A 18 -8.012 4.477 -3.604 1.00 0.00 C ATOM 252 CD GLN A 18 -7.387 4.416 -4.983 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.316 4.978 -5.217 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.053 3.732 -5.906 1.00 0.00 N ATOM 0 H GLN A 18 -7.922 6.617 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.361 3.921 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.237 5.229 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.452 3.497 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.693 3.635 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.609 5.385 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.937 3.282 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.681 3.657 -6.853 1.00 0.00 H new ATOM 263 N LEU A 19 -5.706 5.490 0.207 1.00 0.00 N ATOM 264 CA LEU A 19 -4.638 5.424 1.198 1.00 0.00 C ATOM 265 C LEU A 19 -5.208 5.262 2.604 1.00 0.00 C ATOM 266 O LEU A 19 -4.829 4.349 3.336 1.00 0.00 O ATOM 267 CB LEU A 19 -3.771 6.682 1.128 1.00 0.00 C ATOM 268 CG LEU A 19 -2.684 6.690 0.053 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.768 7.891 0.228 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.884 5.396 0.093 1.00 0.00 C ATOM 0 H LEU A 19 -5.784 6.388 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.022 4.553 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.423 7.540 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.295 6.825 2.098 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.165 6.766 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.001 7.879 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.351 8.808 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.294 7.847 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.115 5.420 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.414 5.289 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.550 4.551 -0.084 1.00 0.00 H new ATOM 282 N ALA A 20 -6.121 6.155 2.972 1.00 0.00 N ATOM 283 CA ALA A 20 -6.746 6.109 4.288 1.00 0.00 C ATOM 284 C ALA A 20 -6.990 4.670 4.730 1.00 0.00 C ATOM 285 O ALA A 20 -6.610 4.276 5.832 1.00 0.00 O ATOM 286 CB ALA A 20 -8.052 6.889 4.279 1.00 0.00 C ATOM 0 H ALA A 20 -6.444 6.918 2.378 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.065 6.570 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.508 6.846 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.854 7.928 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.731 6.452 3.547 1.00 0.00 H new ATOM 292 N ALA A 21 -7.627 3.889 3.863 1.00 0.00 N ATOM 293 CA ALA A 21 -7.920 2.493 4.164 1.00 0.00 C ATOM 294 C ALA A 21 -6.652 1.647 4.134 1.00 0.00 C ATOM 295 O ALA A 21 -6.375 0.892 5.067 1.00 0.00 O ATOM 296 CB ALA A 21 -8.946 1.946 3.182 1.00 0.00 C ATOM 0 H ALA A 21 -7.950 4.200 2.947 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.334 2.443 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.156 0.903 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.866 2.527 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.553 2.016 2.168 1.00 0.00 H new ATOM 302 N LEU A 22 -5.886 1.776 3.056 1.00 0.00 N ATOM 303 CA LEU A 22 -4.646 1.022 2.904 1.00 0.00 C ATOM 304 C LEU A 22 -3.797 1.110 4.168 1.00 0.00 C ATOM 305 O LEU A 22 -3.509 0.097 4.804 1.00 0.00 O ATOM 306 CB LEU A 22 -3.853 1.544 1.705 1.00 0.00 C ATOM 307 CG LEU A 22 -4.223 0.950 0.345 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.548 1.724 -0.777 1.00 0.00 C ATOM 309 CD2 LEU A 22 -3.842 -0.521 0.285 1.00 0.00 C ATOM 0 H LEU A 22 -6.102 2.395 2.275 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.903 -0.023 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.980 2.625 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.795 1.356 1.885 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.302 1.031 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.823 1.287 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.871 2.765 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.466 1.676 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.112 -0.927 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.768 -0.625 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.373 -1.066 1.065 1.00 0.00 H new ATOM 321 N GLN A 23 -3.401 2.328 4.525 1.00 0.00 N ATOM 322 CA GLN A 23 -2.586 2.547 5.714 1.00 0.00 C ATOM 323 C GLN A 23 -3.248 1.942 6.947 1.00 0.00 C ATOM 324 O GLN A 23 -2.607 1.232 7.722 1.00 0.00 O ATOM 325 CB GLN A 23 -2.353 4.044 5.929 1.00 0.00 C ATOM 326 CG GLN A 23 -1.232 4.614 5.074 1.00 0.00 C ATOM 327 CD GLN A 23 -0.841 6.019 5.486 1.00 0.00 C ATOM 328 OE1 GLN A 23 -1.469 6.620 6.358 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.201 6.552 4.859 1.00 0.00 N ATOM 0 H GLN A 23 -3.631 3.177 4.008 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.626 2.054 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.275 4.582 5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.123 4.220 6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.360 3.963 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.544 4.619 4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.693 6.018 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.510 7.495 5.094 1.00 0.00 H new ATOM 338 N ARG A 24 -4.534 2.228 7.123 1.00 0.00 N ATOM 339 CA ARG A 24 -5.282 1.712 8.264 1.00 0.00 C ATOM 340 C ARG A 24 -5.043 0.215 8.439 1.00 0.00 C ATOM 341 O ARG A 24 -4.830 -0.263 9.553 1.00 0.00 O ATOM 342 CB ARG A 24 -6.777 1.983 8.085 1.00 0.00 C ATOM 343 CG ARG A 24 -7.531 2.127 9.396 1.00 0.00 C ATOM 344 CD ARG A 24 -8.793 2.958 9.226 1.00 0.00 C ATOM 345 NE ARG A 24 -9.451 3.222 10.502 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.410 4.127 10.661 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.820 4.851 9.629 1.00 0.00 N ATOM 348 NH2 ARG A 24 -10.961 4.310 11.854 1.00 0.00 N ATOM 0 H ARG A 24 -5.079 2.814 6.491 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.931 2.225 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.905 2.894 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.219 1.170 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.793 1.140 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.884 2.594 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.542 3.904 8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.484 2.437 8.563 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.158 2.682 11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.399 4.714 8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.557 5.545 9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.648 3.755 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.697 5.005 11.974 1.00 0.00 H new ATOM 362 N ARG A 25 -5.081 -0.518 7.331 1.00 0.00 N ATOM 363 CA ARG A 25 -4.871 -1.961 7.362 1.00 0.00 C ATOM 364 C ARG A 25 -3.393 -2.291 7.549 1.00 0.00 C ATOM 365 O ARG A 25 -3.040 -3.213 8.284 1.00 0.00 O ATOM 366 CB ARG A 25 -5.389 -2.601 6.073 1.00 0.00 C ATOM 367 CG ARG A 25 -5.548 -4.110 6.164 1.00 0.00 C ATOM 368 CD ARG A 25 -6.723 -4.494 7.050 1.00 0.00 C ATOM 369 NE ARG A 25 -7.991 -4.447 6.327 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.151 -4.825 6.853 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.202 -5.274 8.100 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.263 -4.753 6.132 1.00 0.00 N ATOM 0 H ARG A 25 -5.255 -0.137 6.401 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.426 -2.366 8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.351 -2.157 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.704 -2.365 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.694 -4.522 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.633 -4.550 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.567 -5.498 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.768 -3.820 7.905 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.986 -4.105 5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.350 -5.330 8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.094 -5.564 8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.228 -4.407 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.153 -5.043 6.537 1.00 0.00 H new ATOM 386 N PHE A 26 -2.533 -1.531 6.879 1.00 0.00 N ATOM 387 CA PHE A 26 -1.093 -1.743 6.969 1.00 0.00 C ATOM 388 C PHE A 26 -0.644 -1.813 8.426 1.00 0.00 C ATOM 389 O PHE A 26 -0.011 -2.781 8.845 1.00 0.00 O ATOM 390 CB PHE A 26 -0.345 -0.622 6.246 1.00 0.00 C ATOM 391 CG PHE A 26 1.074 -0.975 5.899 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.349 -2.015 5.026 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.131 -0.267 6.446 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.652 -2.343 4.704 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.437 -0.590 6.128 1.00 0.00 C ATOM 396 CZ PHE A 26 3.698 -1.629 5.256 1.00 0.00 C ATOM 0 H PHE A 26 -2.808 -0.762 6.268 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.860 -2.694 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.882 -0.368 5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.346 0.269 6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.535 -2.576 4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.933 0.546 7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.852 -3.156 4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.253 -0.030 6.561 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.718 -1.883 5.006 1.00 0.00 H new ATOM 406 N GLN A 27 -0.977 -0.778 9.191 1.00 0.00 N ATOM 407 CA GLN A 27 -0.607 -0.720 10.601 1.00 0.00 C ATOM 408 C GLN A 27 -1.067 -1.975 11.336 1.00 0.00 C ATOM 409 O GLN A 27 -0.289 -2.610 12.049 1.00 0.00 O ATOM 410 CB GLN A 27 -1.212 0.521 11.258 1.00 0.00 C ATOM 411 CG GLN A 27 -0.611 1.826 10.763 1.00 0.00 C ATOM 412 CD GLN A 27 0.876 1.926 11.040 1.00 0.00 C ATOM 413 OE1 GLN A 27 1.295 2.106 12.184 1.00 0.00 O ATOM 414 NE2 GLN A 27 1.683 1.809 9.992 1.00 0.00 N ATOM 0 H GLN A 27 -1.502 0.031 8.859 1.00 0.00 H new ATOM 0 HA GLN A 27 0.480 -0.662 10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.286 0.532 11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.075 0.454 12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.784 1.917 9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.123 2.661 11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.292 1.661 9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.694 1.868 10.117 1.00 0.00 H new ATOM 423 N LYS A 28 -2.335 -2.328 11.158 1.00 0.00 N ATOM 424 CA LYS A 28 -2.900 -3.507 11.803 1.00 0.00 C ATOM 425 C LYS A 28 -2.082 -4.752 11.473 1.00 0.00 C ATOM 426 O LYS A 28 -1.604 -5.449 12.369 1.00 0.00 O ATOM 427 CB LYS A 28 -4.352 -3.708 11.364 1.00 0.00 C ATOM 428 CG LYS A 28 -5.326 -2.747 12.025 1.00 0.00 C ATOM 429 CD LYS A 28 -6.744 -3.293 12.013 1.00 0.00 C ATOM 430 CE LYS A 28 -7.468 -2.932 10.724 1.00 0.00 C ATOM 431 NZ LYS A 28 -7.916 -1.512 10.719 1.00 0.00 N ATOM 0 H LYS A 28 -2.992 -1.814 10.571 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.871 -3.349 12.881 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.415 -3.590 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.653 -4.731 11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.015 -2.563 13.053 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.300 -1.788 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.719 -4.377 12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.296 -2.896 12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.807 -3.107 9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.331 -3.586 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.492 -1.333 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.484 -1.324 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.086 -0.886 10.712 1.00 0.00 H new ATOM 445 N THR A 29 -1.923 -5.025 10.182 1.00 0.00 N ATOM 446 CA THR A 29 -1.163 -6.185 9.734 1.00 0.00 C ATOM 447 C THR A 29 -0.441 -5.896 8.423 1.00 0.00 C ATOM 448 O THR A 29 -0.967 -5.201 7.555 1.00 0.00 O ATOM 449 CB THR A 29 -2.071 -7.414 9.547 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.299 -8.530 9.090 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.183 -7.119 8.551 1.00 0.00 C ATOM 0 H THR A 29 -2.311 -4.458 9.428 1.00 0.00 H new ATOM 0 HA THR A 29 -0.429 -6.401 10.510 1.00 0.00 H new ATOM 0 HB THR A 29 -2.521 -7.655 10.510 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.628 -8.818 8.213 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.812 -8.002 8.435 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.787 -6.289 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.748 -6.855 7.587 1.00 0.00 H new ATOM 459 N GLN A 30 0.766 -6.436 8.286 1.00 0.00 N ATOM 460 CA GLN A 30 1.560 -6.235 7.079 1.00 0.00 C ATOM 461 C GLN A 30 1.196 -7.262 6.012 1.00 0.00 C ATOM 462 O GLN A 30 1.265 -6.979 4.815 1.00 0.00 O ATOM 463 CB GLN A 30 3.052 -6.326 7.403 1.00 0.00 C ATOM 464 CG GLN A 30 3.607 -5.076 8.067 1.00 0.00 C ATOM 465 CD GLN A 30 3.407 -5.076 9.570 1.00 0.00 C ATOM 466 OE1 GLN A 30 4.050 -5.837 10.294 1.00 0.00 O ATOM 467 NE2 GLN A 30 2.513 -4.219 10.048 1.00 0.00 N ATOM 0 H GLN A 30 1.215 -7.015 8.995 1.00 0.00 H new ATOM 0 HA GLN A 30 1.340 -5.240 6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.222 -7.181 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.605 -6.514 6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.671 -4.994 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.124 -4.197 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.003 -3.607 9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.336 -4.173 11.052 1.00 0.00 H new ATOM 476 N TYR A 31 0.808 -8.453 6.452 1.00 0.00 N ATOM 477 CA TYR A 31 0.436 -9.523 5.534 1.00 0.00 C ATOM 478 C TYR A 31 -1.075 -9.737 5.530 1.00 0.00 C ATOM 479 O TYR A 31 -1.693 -9.907 6.581 1.00 0.00 O ATOM 480 CB TYR A 31 1.144 -10.823 5.919 1.00 0.00 C ATOM 481 CG TYR A 31 2.648 -10.689 6.010 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.260 -10.314 7.200 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.456 -10.939 4.908 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.633 -10.189 7.288 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.830 -10.818 4.987 1.00 0.00 C ATOM 486 CZ TYR A 31 5.414 -10.443 6.179 1.00 0.00 C ATOM 487 OH TYR A 31 6.782 -10.321 6.263 1.00 0.00 O ATOM 0 H TYR A 31 0.743 -8.702 7.439 1.00 0.00 H new ATOM 0 HA TYR A 31 0.747 -9.230 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.759 -11.166 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.900 -11.591 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.652 -10.117 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.002 -11.233 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.093 -9.894 8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.443 -11.016 4.120 1.00 0.00 H new ATOM 0 HH TYR A 31 7.183 -10.536 5.395 1.00 0.00 H new ATOM 497 N LEU A 32 -1.663 -9.726 4.339 1.00 0.00 N ATOM 498 CA LEU A 32 -3.102 -9.919 4.195 1.00 0.00 C ATOM 499 C LEU A 32 -3.409 -11.262 3.541 1.00 0.00 C ATOM 500 O LEU A 32 -2.672 -11.722 2.669 1.00 0.00 O ATOM 501 CB LEU A 32 -3.708 -8.785 3.366 1.00 0.00 C ATOM 502 CG LEU A 32 -3.789 -7.421 4.052 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.269 -6.359 3.075 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.707 -7.487 5.264 1.00 0.00 C ATOM 0 H LEU A 32 -1.166 -9.586 3.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.546 -9.911 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.122 -8.676 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.714 -9.079 3.066 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.790 -7.147 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.320 -5.395 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.573 -6.293 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.258 -6.627 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.753 -6.507 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.707 -7.783 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.320 -8.218 5.974 1.00 0.00 H new ATOM 516 N ALA A 33 -4.502 -11.886 3.967 1.00 0.00 N ATOM 517 CA ALA A 33 -4.909 -13.175 3.420 1.00 0.00 C ATOM 518 C ALA A 33 -5.451 -13.023 2.003 1.00 0.00 C ATOM 519 O ALA A 33 -5.620 -11.908 1.508 1.00 0.00 O ATOM 520 CB ALA A 33 -5.950 -13.825 4.320 1.00 0.00 C ATOM 0 H ALA A 33 -5.122 -11.520 4.689 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.030 -13.818 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.245 -14.787 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.528 -13.977 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.824 -13.177 4.392 1.00 0.00 H new ATOM 526 N LEU A 34 -5.723 -14.150 1.355 1.00 0.00 N ATOM 527 CA LEU A 34 -6.246 -14.143 -0.007 1.00 0.00 C ATOM 528 C LEU A 34 -7.471 -13.240 -0.114 1.00 0.00 C ATOM 529 O LEU A 34 -7.490 -12.266 -0.868 1.00 0.00 O ATOM 530 CB LEU A 34 -6.606 -15.564 -0.443 1.00 0.00 C ATOM 531 CG LEU A 34 -7.799 -15.693 -1.392 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.445 -15.159 -2.771 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.256 -17.141 -1.480 1.00 0.00 C ATOM 0 H LEU A 34 -5.590 -15.081 1.751 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.471 -13.753 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.734 -16.007 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.811 -16.155 0.449 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.621 -15.097 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.306 -15.259 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.167 -14.108 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.608 -15.727 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.105 -17.214 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.439 -17.758 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.552 -17.490 -0.491 1.00 0.00 H new ATOM 545 N PRO A 35 -8.517 -13.567 0.658 1.00 0.00 N ATOM 546 CA PRO A 35 -9.764 -12.797 0.670 1.00 0.00 C ATOM 547 C PRO A 35 -9.593 -11.425 1.314 1.00 0.00 C ATOM 548 O PRO A 35 -10.414 -10.530 1.117 1.00 0.00 O ATOM 549 CB PRO A 35 -10.710 -13.665 1.504 1.00 0.00 C ATOM 550 CG PRO A 35 -9.813 -14.468 2.381 1.00 0.00 C ATOM 551 CD PRO A 35 -8.564 -14.714 1.580 1.00 0.00 C ATOM 0 HA PRO A 35 -10.127 -12.594 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.394 -13.053 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.321 -14.307 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.586 -13.932 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.285 -15.408 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.680 -14.754 2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.612 -15.660 1.041 1.00 0.00 H new ATOM 559 N GLU A 36 -8.520 -11.268 2.084 1.00 0.00 N ATOM 560 CA GLU A 36 -8.242 -10.005 2.757 1.00 0.00 C ATOM 561 C GLU A 36 -7.684 -8.977 1.777 1.00 0.00 C ATOM 562 O GLU A 36 -8.180 -7.854 1.690 1.00 0.00 O ATOM 563 CB GLU A 36 -7.254 -10.220 3.905 1.00 0.00 C ATOM 564 CG GLU A 36 -7.922 -10.545 5.231 1.00 0.00 C ATOM 565 CD GLU A 36 -8.821 -11.764 5.147 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.786 -11.737 4.356 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.557 -12.745 5.874 1.00 0.00 O ATOM 0 H GLU A 36 -7.830 -11.999 2.257 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.180 -9.624 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.575 -11.031 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.647 -9.322 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.156 -10.714 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.509 -9.687 5.558 1.00 0.00 H new ATOM 574 N ARG A 37 -6.649 -9.371 1.041 1.00 0.00 N ATOM 575 CA ARG A 37 -6.022 -8.485 0.069 1.00 0.00 C ATOM 576 C ARG A 37 -7.036 -8.011 -0.969 1.00 0.00 C ATOM 577 O ARG A 37 -6.998 -6.863 -1.409 1.00 0.00 O ATOM 578 CB ARG A 37 -4.860 -9.196 -0.626 1.00 0.00 C ATOM 579 CG ARG A 37 -4.154 -8.339 -1.664 1.00 0.00 C ATOM 580 CD ARG A 37 -3.175 -9.158 -2.491 1.00 0.00 C ATOM 581 NE ARG A 37 -3.645 -10.525 -2.699 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.446 -11.510 -1.830 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.791 -11.281 -0.701 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.904 -12.728 -2.090 1.00 0.00 N ATOM 0 H ARG A 37 -6.228 -10.298 1.100 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.640 -7.615 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.136 -9.511 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.234 -10.100 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.892 -7.880 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.622 -7.528 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.024 -8.676 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.207 -9.180 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.154 -10.735 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.438 -10.346 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.640 -12.040 -0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.409 -12.908 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.751 -13.484 -1.422 1.00 0.00 H new ATOM 598 N ALA A 38 -7.941 -8.905 -1.355 1.00 0.00 N ATOM 599 CA ALA A 38 -8.966 -8.578 -2.338 1.00 0.00 C ATOM 600 C ALA A 38 -9.880 -7.468 -1.832 1.00 0.00 C ATOM 601 O ALA A 38 -10.129 -6.488 -2.534 1.00 0.00 O ATOM 602 CB ALA A 38 -9.779 -9.817 -2.684 1.00 0.00 C ATOM 0 H ALA A 38 -7.985 -9.861 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.468 -8.219 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.541 -9.559 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.120 -10.581 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.259 -10.200 -1.784 1.00 0.00 H new ATOM 608 N GLU A 39 -10.376 -7.628 -0.609 1.00 0.00 N ATOM 609 CA GLU A 39 -11.264 -6.638 -0.010 1.00 0.00 C ATOM 610 C GLU A 39 -10.805 -5.222 -0.346 1.00 0.00 C ATOM 611 O GLU A 39 -11.610 -4.369 -0.722 1.00 0.00 O ATOM 612 CB GLU A 39 -11.319 -6.822 1.508 1.00 0.00 C ATOM 613 CG GLU A 39 -12.202 -7.976 1.950 1.00 0.00 C ATOM 614 CD GLU A 39 -12.777 -7.773 3.338 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.506 -6.779 3.538 1.00 0.00 O ATOM 616 OE2 GLU A 39 -12.498 -8.607 4.225 1.00 0.00 O ATOM 0 H GLU A 39 -10.178 -8.433 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.262 -6.785 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.308 -6.985 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.683 -5.901 1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.018 -8.098 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.623 -8.899 1.932 1.00 0.00 H new ATOM 623 N LEU A 40 -9.507 -4.978 -0.206 1.00 0.00 N ATOM 624 CA LEU A 40 -8.939 -3.666 -0.494 1.00 0.00 C ATOM 625 C LEU A 40 -9.101 -3.314 -1.969 1.00 0.00 C ATOM 626 O LEU A 40 -9.464 -2.190 -2.314 1.00 0.00 O ATOM 627 CB LEU A 40 -7.459 -3.633 -0.109 1.00 0.00 C ATOM 628 CG LEU A 40 -7.119 -4.136 1.295 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.797 -3.551 1.766 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.235 -3.790 2.270 1.00 0.00 C ATOM 0 H LEU A 40 -8.828 -5.672 0.105 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.478 -2.926 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.903 -4.230 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.103 -2.607 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.020 -5.221 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.572 -3.920 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.003 -3.849 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.868 -2.464 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.976 -4.155 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.366 -2.708 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.163 -4.258 1.942 1.00 0.00 H new ATOM 642 N ALA A 41 -8.829 -4.284 -2.836 1.00 0.00 N ATOM 643 CA ALA A 41 -8.948 -4.078 -4.275 1.00 0.00 C ATOM 644 C ALA A 41 -10.411 -4.007 -4.700 1.00 0.00 C ATOM 645 O ALA A 41 -10.729 -3.521 -5.784 1.00 0.00 O ATOM 646 CB ALA A 41 -8.231 -5.189 -5.028 1.00 0.00 C ATOM 0 H ALA A 41 -8.525 -5.220 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.479 -3.126 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.328 -5.023 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.176 -5.191 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.675 -6.150 -4.768 1.00 0.00 H new ATOM 652 N ALA A 42 -11.297 -4.496 -3.838 1.00 0.00 N ATOM 653 CA ALA A 42 -12.726 -4.486 -4.124 1.00 0.00 C ATOM 654 C ALA A 42 -13.408 -3.285 -3.477 1.00 0.00 C ATOM 655 O ALA A 42 -14.445 -2.819 -3.950 1.00 0.00 O ATOM 656 CB ALA A 42 -13.369 -5.781 -3.647 1.00 0.00 C ATOM 0 H ALA A 42 -11.050 -4.904 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.854 -4.405 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.436 -5.760 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.909 -6.626 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.222 -5.886 -2.572 1.00 0.00 H new ATOM 662 N SER A 43 -12.819 -2.789 -2.394 1.00 0.00 N ATOM 663 CA SER A 43 -13.372 -1.645 -1.680 1.00 0.00 C ATOM 664 C SER A 43 -12.777 -0.340 -2.200 1.00 0.00 C ATOM 665 O SER A 43 -13.504 0.580 -2.578 1.00 0.00 O ATOM 666 CB SER A 43 -13.106 -1.777 -0.179 1.00 0.00 C ATOM 667 OG SER A 43 -13.810 -0.787 0.553 1.00 0.00 O ATOM 0 H SER A 43 -11.959 -3.162 -1.992 1.00 0.00 H new ATOM 0 HA SER A 43 -14.448 -1.627 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.407 -2.768 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.037 -1.685 0.014 1.00 0.00 H new ATOM 0 HG SER A 43 -13.625 -0.894 1.509 1.00 0.00 H new ATOM 673 N LEU A 44 -11.451 -0.267 -2.218 1.00 0.00 N ATOM 674 CA LEU A 44 -10.756 0.924 -2.692 1.00 0.00 C ATOM 675 C LEU A 44 -10.872 1.055 -4.208 1.00 0.00 C ATOM 676 O LEU A 44 -10.642 2.126 -4.768 1.00 0.00 O ATOM 677 CB LEU A 44 -9.283 0.876 -2.284 1.00 0.00 C ATOM 678 CG LEU A 44 -8.996 0.402 -0.859 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.510 0.502 -0.552 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.806 1.209 0.145 1.00 0.00 C ATOM 0 H LEU A 44 -10.835 -1.019 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.225 1.795 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.756 0.220 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.860 1.873 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.293 -0.644 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.325 0.160 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.951 -0.121 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.187 1.538 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.589 0.858 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.541 2.263 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.869 1.085 -0.061 1.00 0.00 H new ATOM 692 N GLY A 45 -11.233 -0.042 -4.866 1.00 0.00 N ATOM 693 CA GLY A 45 -11.375 -0.029 -6.310 1.00 0.00 C ATOM 694 C GLY A 45 -10.065 -0.296 -7.024 1.00 0.00 C ATOM 695 O GLY A 45 -9.898 0.070 -8.188 1.00 0.00 O ATOM 0 H GLY A 45 -11.430 -0.940 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.107 -0.780 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.766 0.938 -6.625 1.00 0.00 H new ATOM 699 N LEU A 46 -9.133 -0.935 -6.326 1.00 0.00 N ATOM 700 CA LEU A 46 -7.829 -1.251 -6.900 1.00 0.00 C ATOM 701 C LEU A 46 -7.726 -2.736 -7.233 1.00 0.00 C ATOM 702 O LEU A 46 -8.659 -3.503 -6.996 1.00 0.00 O ATOM 703 CB LEU A 46 -6.714 -0.854 -5.932 1.00 0.00 C ATOM 704 CG LEU A 46 -6.773 0.574 -5.388 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.161 0.642 -3.998 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.064 1.534 -6.333 1.00 0.00 C ATOM 0 H LEU A 46 -9.255 -1.245 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.718 -0.683 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.730 -1.544 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.757 -0.990 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.819 0.872 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.212 1.666 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.712 -0.015 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.119 0.324 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.116 2.546 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.020 1.238 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.548 1.507 -7.309 1.00 0.00 H new ATOM 718 N THR A 47 -6.583 -3.136 -7.781 1.00 0.00 N ATOM 719 CA THR A 47 -6.356 -4.529 -8.144 1.00 0.00 C ATOM 720 C THR A 47 -5.318 -5.174 -7.232 1.00 0.00 C ATOM 721 O THR A 47 -4.515 -4.483 -6.607 1.00 0.00 O ATOM 722 CB THR A 47 -5.889 -4.659 -9.606 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.462 -6.001 -9.867 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.750 -3.694 -9.899 1.00 0.00 C ATOM 0 H THR A 47 -5.800 -2.515 -7.983 1.00 0.00 H new ATOM 0 HA THR A 47 -7.309 -5.045 -8.027 1.00 0.00 H new ATOM 0 HB THR A 47 -6.729 -4.412 -10.255 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.168 -6.075 -10.799 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.437 -3.805 -10.937 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.086 -2.671 -9.728 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.909 -3.914 -9.242 1.00 0.00 H new ATOM 732 N GLN A 48 -5.341 -6.501 -7.162 1.00 0.00 N ATOM 733 CA GLN A 48 -4.401 -7.238 -6.326 1.00 0.00 C ATOM 734 C GLN A 48 -2.963 -6.856 -6.658 1.00 0.00 C ATOM 735 O GLN A 48 -2.078 -6.924 -5.804 1.00 0.00 O ATOM 736 CB GLN A 48 -4.597 -8.744 -6.507 1.00 0.00 C ATOM 737 CG GLN A 48 -5.886 -9.268 -5.895 1.00 0.00 C ATOM 738 CD GLN A 48 -6.336 -10.577 -6.513 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.868 -10.964 -7.585 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.248 -11.268 -5.840 1.00 0.00 N ATOM 0 H GLN A 48 -6.000 -7.088 -7.674 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.596 -6.977 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.589 -8.978 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.753 -9.268 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.745 -9.406 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.672 -8.523 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.609 -10.910 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.588 -12.157 -6.207 1.00 0.00 H new ATOM 749 N THR A 49 -2.734 -6.455 -7.905 1.00 0.00 N ATOM 750 CA THR A 49 -1.403 -6.064 -8.350 1.00 0.00 C ATOM 751 C THR A 49 -1.030 -4.683 -7.824 1.00 0.00 C ATOM 752 O THR A 49 0.146 -4.325 -7.774 1.00 0.00 O ATOM 753 CB THR A 49 -1.304 -6.059 -9.887 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.814 -7.289 -10.415 1.00 0.00 O ATOM 755 CG2 THR A 49 0.137 -5.868 -10.336 1.00 0.00 C ATOM 0 H THR A 49 -3.454 -6.393 -8.625 1.00 0.00 H new ATOM 0 HA THR A 49 -0.707 -6.802 -7.950 1.00 0.00 H new ATOM 0 HB THR A 49 -1.899 -5.227 -10.264 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.749 -7.277 -11.393 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.182 -5.868 -11.425 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.513 -4.918 -9.957 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.750 -6.681 -9.948 1.00 0.00 H new ATOM 763 N GLN A 50 -2.040 -3.912 -7.432 1.00 0.00 N ATOM 764 CA GLN A 50 -1.816 -2.569 -6.910 1.00 0.00 C ATOM 765 C GLN A 50 -1.633 -2.598 -5.396 1.00 0.00 C ATOM 766 O GLN A 50 -0.678 -2.030 -4.865 1.00 0.00 O ATOM 767 CB GLN A 50 -2.987 -1.655 -7.276 1.00 0.00 C ATOM 768 CG GLN A 50 -2.907 -1.099 -8.688 1.00 0.00 C ATOM 769 CD GLN A 50 -3.557 0.264 -8.817 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.044 1.260 -8.307 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.694 0.316 -9.502 1.00 0.00 N ATOM 0 H GLN A 50 -3.020 -4.194 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.904 -2.178 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.919 -2.210 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.024 -0.826 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.861 -1.028 -8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.389 -1.794 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.084 -0.534 -9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.177 1.206 -9.622 1.00 0.00 H new ATOM 780 N VAL A 51 -2.554 -3.262 -4.705 1.00 0.00 N ATOM 781 CA VAL A 51 -2.493 -3.365 -3.252 1.00 0.00 C ATOM 782 C VAL A 51 -1.267 -4.156 -2.808 1.00 0.00 C ATOM 783 O VAL A 51 -0.791 -4.006 -1.683 1.00 0.00 O ATOM 784 CB VAL A 51 -3.757 -4.037 -2.684 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.503 -4.547 -1.273 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.930 -3.069 -2.706 1.00 0.00 C ATOM 0 H VAL A 51 -3.351 -3.737 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.426 -2.348 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.008 -4.891 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.407 -5.019 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.693 -5.276 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.227 -3.712 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.815 -3.560 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.692 -2.195 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.125 -2.757 -3.732 1.00 0.00 H new ATOM 796 N LYS A 52 -0.759 -5.000 -3.701 1.00 0.00 N ATOM 797 CA LYS A 52 0.413 -5.814 -3.403 1.00 0.00 C ATOM 798 C LYS A 52 1.678 -4.963 -3.389 1.00 0.00 C ATOM 799 O LYS A 52 2.413 -4.942 -2.401 1.00 0.00 O ATOM 800 CB LYS A 52 0.553 -6.938 -4.433 1.00 0.00 C ATOM 801 CG LYS A 52 -0.170 -8.215 -4.042 1.00 0.00 C ATOM 802 CD LYS A 52 -0.302 -9.164 -5.221 1.00 0.00 C ATOM 803 CE LYS A 52 1.042 -9.761 -5.609 1.00 0.00 C ATOM 804 NZ LYS A 52 1.534 -10.729 -4.591 1.00 0.00 N ATOM 0 H LYS A 52 -1.141 -5.138 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 52 0.279 -6.250 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.167 -6.591 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.611 -7.159 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.372 -8.709 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.160 -7.971 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.998 -9.964 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.724 -8.631 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.952 -10.262 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.772 -8.961 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.328 -11.273 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.853 -10.213 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.765 -11.379 -4.330 1.00 0.00 H new ATOM 818 N ILE A 53 1.926 -4.260 -4.490 1.00 0.00 N ATOM 819 CA ILE A 53 3.101 -3.405 -4.602 1.00 0.00 C ATOM 820 C ILE A 53 3.108 -2.337 -3.514 1.00 0.00 C ATOM 821 O ILE A 53 4.169 -1.895 -3.071 1.00 0.00 O ATOM 822 CB ILE A 53 3.169 -2.720 -5.979 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.181 -3.768 -7.094 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.400 -1.831 -6.068 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.217 -3.171 -8.484 1.00 0.00 C ATOM 0 H ILE A 53 1.329 -4.266 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 53 3.973 -4.048 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 53 2.284 -2.096 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.048 -4.416 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.296 -4.397 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.434 -1.354 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.353 -1.066 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.296 -2.435 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.224 -3.972 -9.224 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.337 -2.546 -8.634 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.116 -2.565 -8.597 1.00 0.00 H new ATOM 837 N TRP A 54 1.919 -1.927 -3.087 1.00 0.00 N ATOM 838 CA TRP A 54 1.789 -0.911 -2.048 1.00 0.00 C ATOM 839 C TRP A 54 2.294 -1.434 -0.708 1.00 0.00 C ATOM 840 O TRP A 54 3.115 -0.794 -0.051 1.00 0.00 O ATOM 841 CB TRP A 54 0.331 -0.467 -1.920 1.00 0.00 C ATOM 842 CG TRP A 54 0.148 0.721 -1.026 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.008 2.022 -1.412 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.104 0.717 0.406 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.147 2.827 -0.307 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.082 2.051 0.820 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.201 -0.282 1.377 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.171 2.407 2.163 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.113 0.073 2.710 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.072 1.408 3.093 1.00 0.00 C ATOM 0 H TRP A 54 1.032 -2.282 -3.444 1.00 0.00 H new ATOM 0 HA TRP A 54 2.399 -0.054 -2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.057 -0.230 -2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.262 -1.297 -1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.020 2.367 -2.435 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.277 3.838 -0.323 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.342 -1.314 1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.313 3.435 2.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.188 -0.692 3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.138 1.653 4.143 1.00 0.00 H new ATOM 861 N PHE A 55 1.798 -2.600 -0.308 1.00 0.00 N ATOM 862 CA PHE A 55 2.199 -3.209 0.955 1.00 0.00 C ATOM 863 C PHE A 55 3.681 -3.572 0.937 1.00 0.00 C ATOM 864 O PHE A 55 4.388 -3.385 1.927 1.00 0.00 O ATOM 865 CB PHE A 55 1.360 -4.457 1.233 1.00 0.00 C ATOM 866 CG PHE A 55 0.102 -4.175 2.002 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.962 -3.522 1.401 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.018 -4.563 3.327 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.121 -3.260 2.107 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.174 -4.304 4.038 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.228 -3.652 3.427 1.00 0.00 C ATOM 0 H PHE A 55 1.118 -3.142 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 55 2.030 -2.482 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.099 -4.928 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.963 -5.174 1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.885 -3.214 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.802 -5.074 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.942 -2.749 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.254 -4.611 5.070 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.133 -3.449 3.980 1.00 0.00 H new ATOM 881 N GLN A 56 4.144 -4.092 -0.195 1.00 0.00 N ATOM 882 CA GLN A 56 5.541 -4.482 -0.341 1.00 0.00 C ATOM 883 C GLN A 56 6.460 -3.270 -0.229 1.00 0.00 C ATOM 884 O GLN A 56 7.264 -3.172 0.697 1.00 0.00 O ATOM 885 CB GLN A 56 5.760 -5.180 -1.685 1.00 0.00 C ATOM 886 CG GLN A 56 6.923 -6.159 -1.680 1.00 0.00 C ATOM 887 CD GLN A 56 7.240 -6.695 -3.062 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.030 -7.874 -3.346 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.749 -5.829 -3.931 1.00 0.00 N ATOM 0 H GLN A 56 3.572 -4.253 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 56 5.784 -5.175 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.850 -5.712 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.934 -4.426 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.806 -5.666 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.689 -6.991 -1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.907 -4.860 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.982 -6.133 -4.876 1.00 0.00 H new ATOM 898 N ASN A 57 6.334 -2.348 -1.178 1.00 0.00 N ATOM 899 CA ASN A 57 7.154 -1.142 -1.186 1.00 0.00 C ATOM 900 C ASN A 57 7.128 -0.458 0.177 1.00 0.00 C ATOM 901 O ASN A 57 8.128 0.108 0.619 1.00 0.00 O ATOM 902 CB ASN A 57 6.663 -0.174 -2.265 1.00 0.00 C ATOM 903 CG ASN A 57 7.313 -0.431 -3.611 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.819 0.489 -4.254 1.00 0.00 O ATOM 905 ND2 ASN A 57 7.300 -1.686 -4.044 1.00 0.00 N ATOM 0 H ASN A 57 5.672 -2.413 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 57 8.181 -1.432 -1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.581 -0.263 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.871 0.849 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.721 -1.920 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.869 -2.417 -3.477 1.00 0.00 H new ATOM 912 N LYS A 58 5.978 -0.514 0.839 1.00 0.00 N ATOM 913 CA LYS A 58 5.820 0.098 2.154 1.00 0.00 C ATOM 914 C LYS A 58 6.622 -0.661 3.207 1.00 0.00 C ATOM 915 O LYS A 58 7.299 -0.057 4.039 1.00 0.00 O ATOM 916 CB LYS A 58 4.342 0.132 2.549 1.00 0.00 C ATOM 917 CG LYS A 58 3.638 1.420 2.159 1.00 0.00 C ATOM 918 CD LYS A 58 4.002 2.560 3.096 1.00 0.00 C ATOM 919 CE LYS A 58 3.054 2.630 4.283 1.00 0.00 C ATOM 920 NZ LYS A 58 3.567 3.534 5.350 1.00 0.00 N ATOM 0 H LYS A 58 5.140 -0.977 0.487 1.00 0.00 H new ATOM 0 HA LYS A 58 6.199 1.119 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.830 -0.708 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.259 -0.005 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.907 1.688 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.559 1.265 2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.024 2.427 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.974 3.503 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.078 2.981 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.910 1.630 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.893 3.555 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.487 3.185 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.680 4.494 4.967 1.00 0.00 H new ATOM 934 N ARG A 59 6.541 -1.987 3.163 1.00 0.00 N ATOM 935 CA ARG A 59 7.259 -2.827 4.114 1.00 0.00 C ATOM 936 C ARG A 59 8.758 -2.547 4.063 1.00 0.00 C ATOM 937 O ARG A 59 9.443 -2.593 5.084 1.00 0.00 O ATOM 938 CB ARG A 59 6.996 -4.305 3.820 1.00 0.00 C ATOM 939 CG ARG A 59 5.770 -4.858 4.529 1.00 0.00 C ATOM 940 CD ARG A 59 5.634 -6.358 4.320 1.00 0.00 C ATOM 941 NE ARG A 59 6.799 -7.087 4.816 1.00 0.00 N ATOM 942 CZ ARG A 59 7.904 -7.279 4.104 1.00 0.00 C ATOM 943 NH1 ARG A 59 7.994 -6.798 2.871 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.921 -7.953 4.624 1.00 0.00 N ATOM 0 H ARG A 59 5.986 -2.502 2.480 1.00 0.00 H new ATOM 0 HA ARG A 59 6.896 -2.592 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.874 -4.437 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.869 -4.887 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.837 -4.643 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.877 -4.356 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.739 -6.715 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.501 -6.566 3.258 1.00 0.00 H new ATOM 0 HE ARG A 59 6.762 -7.470 5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.214 -6.279 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.843 -6.947 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.855 -8.325 5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.769 -8.100 4.076 1.00 0.00 H new ATOM 958 N SER A 60 9.260 -2.257 2.867 1.00 0.00 N ATOM 959 CA SER A 60 10.679 -1.973 2.682 1.00 0.00 C ATOM 960 C SER A 60 11.043 -0.615 3.274 1.00 0.00 C ATOM 961 O SER A 60 12.219 -0.269 3.387 1.00 0.00 O ATOM 962 CB SER A 60 11.038 -2.007 1.195 1.00 0.00 C ATOM 963 OG SER A 60 12.430 -1.826 1.002 1.00 0.00 O ATOM 0 H SER A 60 8.706 -2.212 2.012 1.00 0.00 H new ATOM 0 HA SER A 60 11.249 -2.742 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.729 -2.960 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.490 -1.226 0.667 1.00 0.00 H new ATOM 0 HG SER A 60 12.812 -1.372 1.782 1.00 0.00 H new ATOM 969 N LYS A 61 10.025 0.152 3.649 1.00 0.00 N ATOM 970 CA LYS A 61 10.235 1.473 4.231 1.00 0.00 C ATOM 971 C LYS A 61 10.025 1.442 5.741 1.00 0.00 C ATOM 972 O LYS A 61 9.700 2.460 6.353 1.00 0.00 O ATOM 973 CB LYS A 61 9.285 2.489 3.594 1.00 0.00 C ATOM 974 CG LYS A 61 9.696 3.933 3.823 1.00 0.00 C ATOM 975 CD LYS A 61 10.943 4.290 3.031 1.00 0.00 C ATOM 976 CE LYS A 61 10.591 4.822 1.650 1.00 0.00 C ATOM 977 NZ LYS A 61 9.824 6.096 1.724 1.00 0.00 N ATOM 0 H LYS A 61 9.046 -0.118 3.560 1.00 0.00 H new ATOM 0 HA LYS A 61 11.264 1.772 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.231 2.301 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.283 2.337 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.879 4.595 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.879 4.096 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.519 5.039 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.578 3.409 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.505 4.982 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.005 4.076 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.335 6.839 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.885 5.961 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.716 6.379 2.719 1.00 0.00 H new ATOM 991 N ILE A 62 10.214 0.269 6.336 1.00 0.00 N ATOM 992 CA ILE A 62 10.048 0.107 7.775 1.00 0.00 C ATOM 993 C ILE A 62 11.293 -0.506 8.407 1.00 0.00 C ATOM 994 O ILE A 62 12.211 -0.936 7.707 1.00 0.00 O ATOM 995 CB ILE A 62 8.831 -0.776 8.106 1.00 0.00 C ATOM 996 CG1 ILE A 62 7.678 -0.473 7.147 1.00 0.00 C ATOM 997 CG2 ILE A 62 8.397 -0.563 9.548 1.00 0.00 C ATOM 998 CD1 ILE A 62 6.403 -1.216 7.480 1.00 0.00 C ATOM 0 H ILE A 62 10.482 -0.583 5.844 1.00 0.00 H new ATOM 0 HA ILE A 62 9.887 1.103 8.187 1.00 0.00 H new ATOM 0 HB ILE A 62 9.116 -1.821 7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.478 0.598 7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.983 -0.729 6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.536 -1.194 9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.217 -0.824 10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.127 0.483 9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.629 -0.952 6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.586 -2.290 7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.073 -0.942 8.482 1.00 0.00 H new ATOM 1010 N LYS A 63 11.319 -0.544 9.735 1.00 0.00 N ATOM 1011 CA LYS A 63 12.449 -1.107 10.463 1.00 0.00 C ATOM 1012 C LYS A 63 12.395 -2.631 10.458 1.00 0.00 C ATOM 1013 O LYS A 63 12.521 -3.271 11.502 1.00 0.00 O ATOM 1014 CB LYS A 63 12.462 -0.591 11.904 1.00 0.00 C ATOM 1015 CG LYS A 63 13.072 0.792 12.050 1.00 0.00 C ATOM 1016 CD LYS A 63 12.607 1.475 13.325 1.00 0.00 C ATOM 1017 CE LYS A 63 13.318 0.918 14.548 1.00 0.00 C ATOM 1018 NZ LYS A 63 12.695 1.389 15.815 1.00 0.00 N ATOM 0 H LYS A 63 10.569 -0.191 10.329 1.00 0.00 H new ATOM 0 HA LYS A 63 13.365 -0.792 9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.440 -0.570 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.018 -1.292 12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.159 0.712 12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.801 1.403 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.791 2.547 13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.531 1.344 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.296 -0.171 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.366 1.217 14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.209 0.987 16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.738 2.427 15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.702 1.082 15.848 1.00 0.00 H new ATOM 1032 N LYS A 64 12.209 -3.208 9.275 1.00 0.00 N ATOM 1033 CA LYS A 64 12.141 -4.657 9.133 1.00 0.00 C ATOM 1034 C LYS A 64 13.380 -5.193 8.421 1.00 0.00 C ATOM 1035 O LYS A 64 13.787 -4.667 7.385 1.00 0.00 O ATOM 1036 CB LYS A 64 10.883 -5.056 8.359 1.00 0.00 C ATOM 1037 CG LYS A 64 10.417 -6.473 8.643 1.00 0.00 C ATOM 1038 CD LYS A 64 9.803 -6.591 10.029 1.00 0.00 C ATOM 1039 CE LYS A 64 9.762 -8.036 10.499 1.00 0.00 C ATOM 1040 NZ LYS A 64 11.090 -8.498 10.990 1.00 0.00 N ATOM 0 H LYS A 64 12.103 -2.693 8.401 1.00 0.00 H new ATOM 0 HA LYS A 64 12.100 -5.093 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.080 -4.362 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.076 -4.953 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.685 -6.774 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.260 -7.158 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.379 -5.994 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.792 -6.183 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.025 -8.138 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.436 -8.675 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.020 -9.488 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.788 -8.425 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.390 -7.904 11.789 1.00 0.00 H new ATOM 1054 N SER A 65 13.973 -6.241 8.983 1.00 0.00 N ATOM 1055 CA SER A 65 15.166 -6.846 8.403 1.00 0.00 C ATOM 1056 C SER A 65 14.826 -7.594 7.117 1.00 0.00 C ATOM 1057 O SER A 65 13.883 -8.383 7.076 1.00 0.00 O ATOM 1058 CB SER A 65 15.819 -7.800 9.404 1.00 0.00 C ATOM 1059 OG SER A 65 14.980 -8.911 9.670 1.00 0.00 O ATOM 0 H SER A 65 13.647 -6.689 9.839 1.00 0.00 H new ATOM 0 HA SER A 65 15.868 -6.047 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.774 -8.147 9.010 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.031 -7.269 10.332 1.00 0.00 H new ATOM 0 HG SER A 65 14.329 -9.011 8.944 1.00 0.00 H new ATOM 1065 N GLY A 66 15.602 -7.339 6.068 1.00 0.00 N ATOM 1066 CA GLY A 66 15.368 -7.995 4.795 1.00 0.00 C ATOM 1067 C GLY A 66 16.140 -7.352 3.660 1.00 0.00 C ATOM 1068 O GLY A 66 16.357 -6.141 3.637 1.00 0.00 O ATOM 0 H GLY A 66 16.389 -6.690 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.651 -9.045 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.303 -7.968 4.566 1.00 0.00 H new ATOM 1072 N PRO A 67 16.572 -8.175 2.693 1.00 0.00 N ATOM 1073 CA PRO A 67 17.333 -7.701 1.533 1.00 0.00 C ATOM 1074 C PRO A 67 16.481 -6.869 0.581 1.00 0.00 C ATOM 1075 O PRO A 67 15.386 -7.279 0.194 1.00 0.00 O ATOM 1076 CB PRO A 67 17.785 -8.996 0.853 1.00 0.00 C ATOM 1077 CG PRO A 67 16.778 -10.013 1.267 1.00 0.00 C ATOM 1078 CD PRO A 67 16.350 -9.630 2.656 1.00 0.00 C ATOM 0 HA PRO A 67 18.155 -7.047 1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.813 -8.885 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.788 -9.280 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.928 -10.021 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.207 -11.015 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.305 -9.882 2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.939 -10.146 3.414 1.00 0.00 H new ATOM 1086 N SER A 68 16.990 -5.700 0.206 1.00 0.00 N ATOM 1087 CA SER A 68 16.273 -4.809 -0.698 1.00 0.00 C ATOM 1088 C SER A 68 17.147 -4.426 -1.889 1.00 0.00 C ATOM 1089 O SER A 68 18.365 -4.600 -1.860 1.00 0.00 O ATOM 1090 CB SER A 68 15.823 -3.549 0.044 1.00 0.00 C ATOM 1091 OG SER A 68 14.693 -3.813 0.858 1.00 0.00 O ATOM 0 H SER A 68 17.896 -5.348 0.514 1.00 0.00 H new ATOM 0 HA SER A 68 15.394 -5.337 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.640 -3.175 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.582 -2.766 -0.675 1.00 0.00 H new ATOM 0 HG SER A 68 14.067 -3.061 0.802 1.00 0.00 H new ATOM 1097 N SER A 69 16.514 -3.905 -2.936 1.00 0.00 N ATOM 1098 CA SER A 69 17.232 -3.501 -4.139 1.00 0.00 C ATOM 1099 C SER A 69 18.567 -2.853 -3.784 1.00 0.00 C ATOM 1100 O SER A 69 19.610 -3.218 -4.322 1.00 0.00 O ATOM 1101 CB SER A 69 16.384 -2.530 -4.963 1.00 0.00 C ATOM 1102 OG SER A 69 16.884 -2.409 -6.283 1.00 0.00 O ATOM 0 H SER A 69 15.506 -3.753 -2.975 1.00 0.00 H new ATOM 0 HA SER A 69 17.428 -4.394 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.352 -2.879 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.376 -1.552 -4.483 1.00 0.00 H new ATOM 0 HG SER A 69 16.324 -1.784 -6.789 1.00 0.00 H new ATOM 1108 N GLY A 70 18.524 -1.886 -2.872 1.00 0.00 N ATOM 1109 CA GLY A 70 19.735 -1.201 -2.459 1.00 0.00 C ATOM 1110 C GLY A 70 19.731 0.265 -2.843 1.00 0.00 C ATOM 1111 O GLY A 70 18.673 0.851 -3.074 1.00 0.00 O ATOM 0 H GLY A 70 17.672 -1.565 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.849 -1.290 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.598 -1.690 -2.912 1.00 0.00 H new TER 1115 GLY A 70