USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1037 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.768 K(o=-0.77,f=-3.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= -1.37 (180deg=-3.77!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 24 THR OG1 : rot 99:sc= 0.509 USER MOD Single : A 27 THR OG1 : rot 49:sc= -1.28! USER MOD Single : A 29 TYR OH : rot -141:sc= 0.459 USER MOD Single : A 31 GLN : amide:sc= 0.322 K(o=0.32,f=-0.55) USER MOD Single : A 36 ASN : amide:sc= 1.11 K(o=1.1,f=0.0056) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 42 SER OG : rot 65:sc= 0.952 USER MOD Single : A 46 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= -0.0697 (180deg=-0.398) USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= 0.973 (180deg=-0.401) USER MOD Single : A 61 GLN : amide:sc= 1.18 K(o=1.2,f=-7.1!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 75 HIS : no HD1:sc= -1.57! K(o=-1.6!,f=0) USER MOD Single : A 80 THR OG1 : rot 69:sc= 0.81 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00521 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.4! C(o=-5.4!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -129:sc= 0.331 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -40:sc= -3.37! USER MOD Single : A 114 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.48) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 126 SER OG : rot -160:sc= 0.00606 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 18.143 -26.774 -19.230 1.00 0.00 N ATOM 2 CA LYS A 2 16.825 -26.135 -19.439 1.00 0.00 C ATOM 3 C LYS A 2 15.722 -26.911 -18.722 1.00 0.00 C ATOM 4 O LYS A 2 14.598 -27.013 -19.214 1.00 0.00 O ATOM 5 CB LYS A 2 16.509 -26.048 -20.934 1.00 0.00 C ATOM 6 CG LYS A 2 17.542 -25.274 -21.738 1.00 0.00 C ATOM 7 CD LYS A 2 17.183 -25.223 -23.214 1.00 0.00 C ATOM 8 CE LYS A 2 17.088 -26.616 -23.816 1.00 0.00 C ATOM 9 NZ LYS A 2 16.804 -26.574 -25.273 1.00 0.00 N1+ ATOM 0 HA LYS A 2 16.868 -25.129 -19.022 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.430 -27.057 -21.338 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.535 -25.576 -21.063 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.621 -24.259 -21.348 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.520 -25.739 -21.617 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.232 -24.706 -23.340 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.934 -24.644 -23.752 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.023 -27.150 -23.644 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.303 -27.177 -23.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.747 -27.544 -25.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.900 -26.087 -25.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.566 -26.061 -25.761 1.00 0.00 H new ATOM 25 N VAL A 3 16.047 -27.468 -17.563 1.00 0.00 N ATOM 26 CA VAL A 3 15.056 -28.141 -16.736 1.00 0.00 C ATOM 27 C VAL A 3 14.938 -27.428 -15.392 1.00 0.00 C ATOM 28 O VAL A 3 13.873 -27.389 -14.778 1.00 0.00 O ATOM 29 CB VAL A 3 15.395 -29.636 -16.513 1.00 0.00 C ATOM 30 CG1 VAL A 3 15.310 -30.407 -17.821 1.00 0.00 C ATOM 31 CG2 VAL A 3 16.778 -29.805 -15.898 1.00 0.00 C ATOM 0 H VAL A 3 16.990 -27.467 -17.175 1.00 0.00 H new ATOM 0 HA VAL A 3 14.104 -28.100 -17.265 1.00 0.00 H new ATOM 0 HB VAL A 3 14.660 -30.039 -15.816 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.552 -31.455 -17.642 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.300 -30.331 -18.223 1.00 0.00 H new ATOM 0 HG13 VAL A 3 16.018 -29.988 -18.537 1.00 0.00 H new ATOM 0 HG21 VAL A 3 16.985 -30.865 -15.754 1.00 0.00 H new ATOM 0 HG22 VAL A 3 17.527 -29.376 -16.563 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.813 -29.295 -14.935 1.00 0.00 H new ATOM 41 N GLN A 4 16.051 -26.854 -14.956 1.00 0.00 N ATOM 42 CA GLN A 4 16.108 -26.083 -13.722 1.00 0.00 C ATOM 43 C GLN A 4 16.925 -24.821 -13.953 1.00 0.00 C ATOM 44 O GLN A 4 16.706 -23.787 -13.317 1.00 0.00 O ATOM 45 CB GLN A 4 16.751 -26.911 -12.604 1.00 0.00 C ATOM 46 CG GLN A 4 15.967 -28.159 -12.225 1.00 0.00 C ATOM 47 CD GLN A 4 16.770 -29.106 -11.358 1.00 0.00 C ATOM 48 OE1 GLN A 4 17.463 -29.985 -11.865 1.00 0.00 O ATOM 49 NE2 GLN A 4 16.687 -28.936 -10.046 1.00 0.00 N ATOM 0 H GLN A 4 16.942 -26.910 -15.449 1.00 0.00 H new ATOM 0 HA GLN A 4 15.094 -25.818 -13.424 1.00 0.00 H new ATOM 0 HB2 GLN A 4 17.753 -27.205 -12.915 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.863 -26.283 -11.720 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.060 -27.868 -11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 4 15.655 -28.677 -13.132 1.00 0.00 H new ATOM 0 HE21 GLN A 4 16.100 -28.194 -9.664 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.210 -29.547 -9.418 1.00 0.00 H new ATOM 58 N GLU A 5 17.860 -24.918 -14.886 1.00 0.00 N ATOM 59 CA GLU A 5 18.776 -23.836 -15.196 1.00 0.00 C ATOM 60 C GLU A 5 18.141 -22.869 -16.188 1.00 0.00 C ATOM 61 O GLU A 5 18.622 -22.706 -17.311 1.00 0.00 O ATOM 62 CB GLU A 5 20.087 -24.389 -15.780 1.00 0.00 C ATOM 63 CG GLU A 5 20.322 -25.874 -15.517 1.00 0.00 C ATOM 64 CD GLU A 5 19.623 -26.772 -16.526 1.00 0.00 C ATOM 65 OE1 GLU A 5 18.388 -26.943 -16.435 1.00 0.00 O1- ATOM 66 OE2 GLU A 5 20.298 -27.296 -17.430 1.00 0.00 O ATOM 0 H GLU A 5 18.004 -25.755 -15.451 1.00 0.00 H new ATOM 0 HA GLU A 5 18.997 -23.303 -14.271 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.090 -24.219 -16.857 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.921 -23.823 -15.365 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.393 -26.077 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.971 -26.120 -14.515 1.00 0.00 H new ATOM 73 N GLN A 6 17.059 -22.228 -15.769 1.00 0.00 N ATOM 74 CA GLN A 6 16.365 -21.265 -16.613 1.00 0.00 C ATOM 75 C GLN A 6 17.017 -19.892 -16.482 1.00 0.00 C ATOM 76 O GLN A 6 16.355 -18.892 -16.198 1.00 0.00 O ATOM 77 CB GLN A 6 14.882 -21.186 -16.238 1.00 0.00 C ATOM 78 CG GLN A 6 14.159 -22.524 -16.301 1.00 0.00 C ATOM 79 CD GLN A 6 14.324 -23.214 -17.640 1.00 0.00 C ATOM 80 OE1 GLN A 6 15.252 -23.997 -17.836 1.00 0.00 O ATOM 81 NE2 GLN A 6 13.432 -22.922 -18.574 1.00 0.00 N ATOM 0 H GLN A 6 16.642 -22.358 -14.847 1.00 0.00 H new ATOM 0 HA GLN A 6 16.438 -21.596 -17.649 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.793 -20.783 -15.229 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.385 -20.483 -16.907 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.537 -23.174 -15.512 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.098 -22.369 -16.105 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.677 -22.267 -18.371 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.500 -23.352 -19.496 1.00 0.00 H new ATOM 90 N SER A 7 18.322 -19.859 -16.687 1.00 0.00 N ATOM 91 CA SER A 7 19.086 -18.639 -16.549 1.00 0.00 C ATOM 92 C SER A 7 19.260 -17.979 -17.912 1.00 0.00 C ATOM 93 O SER A 7 20.065 -18.421 -18.732 1.00 0.00 O ATOM 94 CB SER A 7 20.449 -18.945 -15.917 1.00 0.00 C ATOM 95 OG SER A 7 21.153 -17.759 -15.586 1.00 0.00 O ATOM 0 H SER A 7 18.876 -20.673 -16.952 1.00 0.00 H new ATOM 0 HA SER A 7 18.550 -17.950 -15.897 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.307 -19.546 -15.019 1.00 0.00 H new ATOM 0 HB3 SER A 7 21.045 -19.541 -16.608 1.00 0.00 H new ATOM 0 HG SER A 7 22.016 -17.992 -15.184 1.00 0.00 H new ATOM 101 N VAL A 8 18.477 -16.943 -18.162 1.00 0.00 N ATOM 102 CA VAL A 8 18.581 -16.195 -19.401 1.00 0.00 C ATOM 103 C VAL A 8 19.331 -14.878 -19.176 1.00 0.00 C ATOM 104 O VAL A 8 18.780 -13.903 -18.662 1.00 0.00 O ATOM 105 CB VAL A 8 17.188 -15.944 -20.037 1.00 0.00 C ATOM 106 CG1 VAL A 8 16.220 -15.300 -19.051 1.00 0.00 C ATOM 107 CG2 VAL A 8 17.312 -15.101 -21.296 1.00 0.00 C ATOM 0 H VAL A 8 17.761 -16.601 -17.521 1.00 0.00 H new ATOM 0 HA VAL A 8 19.153 -16.798 -20.106 1.00 0.00 H new ATOM 0 HB VAL A 8 16.777 -16.916 -20.309 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.257 -15.142 -19.537 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.088 -15.955 -18.190 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.621 -14.342 -18.720 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.323 -14.938 -21.724 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.762 -14.140 -21.048 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.940 -15.619 -22.021 1.00 0.00 H new ATOM 117 N GLY A 9 20.609 -14.876 -19.524 1.00 0.00 N ATOM 118 CA GLY A 9 21.421 -13.691 -19.360 1.00 0.00 C ATOM 119 C GLY A 9 22.853 -14.026 -19.006 1.00 0.00 C ATOM 120 O GLY A 9 23.138 -14.488 -17.901 1.00 0.00 O ATOM 0 H GLY A 9 21.099 -15.679 -19.919 1.00 0.00 H new ATOM 0 HA2 GLY A 9 21.403 -13.109 -20.282 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.992 -13.064 -18.578 1.00 0.00 H new ATOM 124 N ALA A 10 23.753 -13.809 -19.952 1.00 0.00 N ATOM 125 CA ALA A 10 25.173 -14.013 -19.722 1.00 0.00 C ATOM 126 C ALA A 10 25.946 -12.748 -20.084 1.00 0.00 C ATOM 127 O ALA A 10 26.495 -12.633 -21.182 1.00 0.00 O ATOM 128 CB ALA A 10 25.677 -15.203 -20.524 1.00 0.00 C ATOM 0 H ALA A 10 23.522 -13.489 -20.893 1.00 0.00 H new ATOM 0 HA ALA A 10 25.333 -14.227 -18.665 1.00 0.00 H new ATOM 0 HB1 ALA A 10 26.742 -15.341 -20.340 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.137 -16.100 -20.222 1.00 0.00 H new ATOM 0 HB3 ALA A 10 25.513 -15.022 -21.586 1.00 0.00 H new ATOM 134 N PRO A 11 25.971 -11.769 -19.173 1.00 0.00 N ATOM 135 CA PRO A 11 26.596 -10.476 -19.425 1.00 0.00 C ATOM 136 C PRO A 11 28.107 -10.498 -19.212 1.00 0.00 C ATOM 137 O PRO A 11 28.593 -10.985 -18.191 1.00 0.00 O ATOM 138 CB PRO A 11 25.925 -9.569 -18.396 1.00 0.00 C ATOM 139 CG PRO A 11 25.601 -10.463 -17.247 1.00 0.00 C ATOM 140 CD PRO A 11 25.387 -11.843 -17.817 1.00 0.00 C ATOM 0 HA PRO A 11 26.468 -10.154 -20.458 1.00 0.00 H new ATOM 0 HB2 PRO A 11 26.588 -8.759 -18.091 1.00 0.00 H new ATOM 0 HB3 PRO A 11 25.025 -9.108 -18.803 1.00 0.00 H new ATOM 0 HG2 PRO A 11 26.412 -10.467 -16.519 1.00 0.00 H new ATOM 0 HG3 PRO A 11 24.708 -10.116 -16.727 1.00 0.00 H new ATOM 0 HD2 PRO A 11 25.879 -12.605 -17.212 1.00 0.00 H new ATOM 0 HD3 PRO A 11 24.328 -12.100 -17.853 1.00 0.00 H new ATOM 148 N PRO A 12 28.872 -10.004 -20.194 1.00 0.00 N ATOM 149 CA PRO A 12 30.312 -9.797 -20.056 1.00 0.00 C ATOM 150 C PRO A 12 30.601 -8.534 -19.252 1.00 0.00 C ATOM 151 O PRO A 12 30.455 -7.419 -19.760 1.00 0.00 O ATOM 152 CB PRO A 12 30.807 -9.641 -21.503 1.00 0.00 C ATOM 153 CG PRO A 12 29.618 -9.897 -22.375 1.00 0.00 C ATOM 154 CD PRO A 12 28.407 -9.633 -21.529 1.00 0.00 C ATOM 0 HA PRO A 12 30.804 -10.615 -19.529 1.00 0.00 H new ATOM 0 HB2 PRO A 12 31.208 -8.642 -21.673 1.00 0.00 H new ATOM 0 HB3 PRO A 12 31.609 -10.347 -21.719 1.00 0.00 H new ATOM 0 HG2 PRO A 12 29.630 -9.246 -23.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 29.619 -10.923 -22.742 1.00 0.00 H new ATOM 0 HD2 PRO A 12 28.098 -8.589 -21.576 1.00 0.00 H new ATOM 0 HD3 PRO A 12 27.553 -10.233 -21.843 1.00 0.00 H new ATOM 162 N PRO A 13 31.001 -8.687 -17.982 1.00 0.00 N ATOM 163 CA PRO A 13 31.177 -7.560 -17.066 1.00 0.00 C ATOM 164 C PRO A 13 32.372 -6.694 -17.439 1.00 0.00 C ATOM 165 O PRO A 13 33.503 -7.177 -17.490 1.00 0.00 O ATOM 166 CB PRO A 13 31.412 -8.222 -15.698 1.00 0.00 C ATOM 167 CG PRO A 13 31.091 -9.669 -15.886 1.00 0.00 C ATOM 168 CD PRO A 13 31.335 -9.965 -17.335 1.00 0.00 C ATOM 0 HA PRO A 13 30.315 -6.893 -17.085 1.00 0.00 H new ATOM 0 HB2 PRO A 13 32.443 -8.089 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 13 30.776 -7.776 -14.933 1.00 0.00 H new ATOM 0 HG2 PRO A 13 31.719 -10.293 -15.250 1.00 0.00 H new ATOM 0 HG3 PRO A 13 30.056 -9.877 -15.615 1.00 0.00 H new ATOM 0 HD2 PRO A 13 32.369 -10.256 -17.521 1.00 0.00 H new ATOM 0 HD3 PRO A 13 30.705 -10.779 -17.695 1.00 0.00 H new ATOM 176 N GLY A 14 32.116 -5.420 -17.717 1.00 0.00 N ATOM 177 CA GLY A 14 33.196 -4.489 -17.979 1.00 0.00 C ATOM 178 C GLY A 14 33.998 -4.226 -16.725 1.00 0.00 C ATOM 179 O GLY A 14 35.213 -4.043 -16.773 1.00 0.00 O ATOM 0 H GLY A 14 31.180 -5.017 -17.765 1.00 0.00 H new ATOM 0 HA2 GLY A 14 33.848 -4.891 -18.755 1.00 0.00 H new ATOM 0 HA3 GLY A 14 32.789 -3.552 -18.359 1.00 0.00 H new ATOM 183 N ARG A 15 33.299 -4.209 -15.599 1.00 0.00 N ATOM 184 CA ARG A 15 33.935 -4.094 -14.301 1.00 0.00 C ATOM 185 C ARG A 15 33.123 -4.857 -13.259 1.00 0.00 C ATOM 186 O ARG A 15 33.572 -5.879 -12.734 1.00 0.00 O ATOM 187 CB ARG A 15 34.075 -2.628 -13.890 1.00 0.00 C ATOM 188 CG ARG A 15 34.870 -2.437 -12.611 1.00 0.00 C ATOM 189 CD ARG A 15 34.883 -0.985 -12.171 1.00 0.00 C ATOM 190 NE ARG A 15 35.411 -0.095 -13.203 1.00 0.00 N ATOM 191 CZ ARG A 15 35.614 1.209 -13.026 1.00 0.00 C ATOM 192 NH1 ARG A 15 35.348 1.771 -11.851 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 36.075 1.949 -14.026 1.00 0.00 N ATOM 0 H ARG A 15 32.282 -4.274 -15.562 1.00 0.00 H new ATOM 0 HA ARG A 15 34.934 -4.525 -14.365 1.00 0.00 H new ATOM 0 HB2 ARG A 15 34.559 -2.076 -14.696 1.00 0.00 H new ATOM 0 HB3 ARG A 15 33.082 -2.198 -13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 15 34.441 -3.053 -11.821 1.00 0.00 H new ATOM 0 HG3 ARG A 15 35.893 -2.780 -12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 15 33.870 -0.677 -11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 15 35.485 -0.887 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 15 35.637 -0.497 -14.113 1.00 0.00 H new ATOM 0 HH11 ARG A 15 34.988 1.203 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 15 35.504 2.770 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 36.274 1.519 -14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 15 36.231 2.948 -13.891 1.00 0.00 H new ATOM 207 N ALA A 16 31.914 -4.380 -12.988 1.00 0.00 N ATOM 208 CA ALA A 16 31.068 -4.989 -11.972 1.00 0.00 C ATOM 209 C ALA A 16 29.710 -5.392 -12.532 1.00 0.00 C ATOM 210 O ALA A 16 28.989 -4.574 -13.111 1.00 0.00 O ATOM 211 CB ALA A 16 30.897 -4.044 -10.795 1.00 0.00 C ATOM 0 H ALA A 16 31.499 -3.575 -13.457 1.00 0.00 H new ATOM 0 HA ALA A 16 31.564 -5.898 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.262 -4.511 -10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.872 -3.823 -10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 16 30.434 -3.118 -11.136 1.00 0.00 H new ATOM 217 N ASP A 17 29.383 -6.664 -12.363 1.00 0.00 N ATOM 218 CA ASP A 17 28.078 -7.201 -12.738 1.00 0.00 C ATOM 219 C ASP A 17 27.886 -8.525 -12.003 1.00 0.00 C ATOM 220 O ASP A 17 28.527 -8.747 -10.973 1.00 0.00 O ATOM 221 CB ASP A 17 27.975 -7.398 -14.259 1.00 0.00 C ATOM 222 CG ASP A 17 26.533 -7.376 -14.754 1.00 0.00 C ATOM 223 OD1 ASP A 17 25.816 -8.385 -14.580 1.00 0.00 O ATOM 224 OD2 ASP A 17 26.109 -6.346 -15.313 1.00 0.00 O1- ATOM 0 H ASP A 17 30.015 -7.357 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 17 27.293 -6.498 -12.457 1.00 0.00 H new ATOM 0 HB2 ASP A 17 28.541 -6.614 -14.763 1.00 0.00 H new ATOM 0 HB3 ASP A 17 28.435 -8.348 -14.531 1.00 0.00 H new ATOM 229 N LYS A 18 27.014 -9.392 -12.516 1.00 0.00 N ATOM 230 CA LYS A 18 26.752 -10.697 -11.906 1.00 0.00 C ATOM 231 C LYS A 18 26.315 -10.524 -10.454 1.00 0.00 C ATOM 232 O LYS A 18 26.720 -11.279 -9.573 1.00 0.00 O ATOM 233 CB LYS A 18 27.999 -11.588 -11.979 1.00 0.00 C ATOM 234 CG LYS A 18 28.456 -11.897 -13.398 1.00 0.00 C ATOM 235 CD LYS A 18 29.823 -12.580 -13.432 1.00 0.00 C ATOM 236 CE LYS A 18 29.782 -14.032 -12.963 1.00 0.00 C ATOM 237 NZ LYS A 18 29.514 -14.164 -11.504 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.472 -9.212 -13.361 1.00 0.00 H new ATOM 0 HA LYS A 18 25.948 -11.180 -12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.814 -11.100 -11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.794 -12.525 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.720 -12.538 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.500 -10.972 -13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 18 30.214 -12.544 -14.449 1.00 0.00 H new ATOM 0 HD3 LYS A 18 30.517 -12.021 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 29.011 -14.566 -13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 18 30.733 -14.511 -13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 30.094 -14.934 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 29.753 -13.272 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.507 -14.378 -11.354 1.00 0.00 H new ATOM 251 N THR A 19 25.496 -9.515 -10.211 1.00 0.00 N ATOM 252 CA THR A 19 25.095 -9.178 -8.859 1.00 0.00 C ATOM 253 C THR A 19 23.721 -9.756 -8.535 1.00 0.00 C ATOM 254 O THR A 19 23.522 -10.348 -7.474 1.00 0.00 O ATOM 255 CB THR A 19 25.091 -7.650 -8.665 1.00 0.00 C ATOM 256 OG1 THR A 19 26.346 -7.112 -9.109 1.00 0.00 O ATOM 257 CG2 THR A 19 24.864 -7.279 -7.206 1.00 0.00 C ATOM 0 H THR A 19 25.097 -8.916 -10.933 1.00 0.00 H new ATOM 0 HA THR A 19 25.819 -9.618 -8.173 1.00 0.00 H new ATOM 0 HB THR A 19 24.274 -7.231 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.346 -6.139 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.867 -6.194 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.903 -7.673 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 19 25.660 -7.704 -6.594 1.00 0.00 H new ATOM 265 N ALA A 20 22.784 -9.614 -9.460 1.00 0.00 N ATOM 266 CA ALA A 20 21.431 -10.109 -9.250 1.00 0.00 C ATOM 267 C ALA A 20 20.730 -10.362 -10.575 1.00 0.00 C ATOM 268 O ALA A 20 20.559 -9.447 -11.379 1.00 0.00 O ATOM 269 CB ALA A 20 20.626 -9.122 -8.412 1.00 0.00 C ATOM 0 H ALA A 20 22.934 -9.161 -10.362 1.00 0.00 H new ATOM 0 HA ALA A 20 21.500 -11.055 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.617 -9.508 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.108 -8.989 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.576 -8.163 -8.928 1.00 0.00 H new ATOM 275 N ALA A 21 20.350 -11.611 -10.812 1.00 0.00 N ATOM 276 CA ALA A 21 19.545 -11.949 -11.976 1.00 0.00 C ATOM 277 C ALA A 21 18.283 -12.716 -11.553 1.00 0.00 C ATOM 278 O ALA A 21 17.174 -12.227 -11.764 1.00 0.00 O ATOM 279 CB ALA A 21 20.368 -12.706 -13.015 1.00 0.00 C ATOM 0 H ALA A 21 20.586 -12.404 -10.215 1.00 0.00 H new ATOM 0 HA ALA A 21 19.217 -11.026 -12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 21 19.740 -12.945 -13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 21 21.204 -12.086 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.749 -13.628 -12.576 1.00 0.00 H new ATOM 285 N PRO A 22 18.408 -13.924 -10.948 1.00 0.00 N ATOM 286 CA PRO A 22 17.265 -14.619 -10.358 1.00 0.00 C ATOM 287 C PRO A 22 16.994 -14.153 -8.927 1.00 0.00 C ATOM 288 O PRO A 22 15.963 -14.479 -8.338 1.00 0.00 O ATOM 289 CB PRO A 22 17.686 -16.100 -10.367 1.00 0.00 C ATOM 290 CG PRO A 22 19.063 -16.138 -10.957 1.00 0.00 C ATOM 291 CD PRO A 22 19.616 -14.748 -10.839 1.00 0.00 C ATOM 0 HA PRO A 22 16.345 -14.428 -10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 22 17.683 -16.512 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.992 -16.699 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.693 -16.852 -10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.030 -16.455 -11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 22 20.130 -14.593 -9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 22 20.333 -14.526 -11.630 1.00 0.00 H new ATOM 299 N GLN A 23 17.929 -13.384 -8.374 1.00 0.00 N ATOM 300 CA GLN A 23 17.812 -12.887 -7.005 1.00 0.00 C ATOM 301 C GLN A 23 16.956 -11.625 -6.965 1.00 0.00 C ATOM 302 O GLN A 23 16.567 -11.153 -5.893 1.00 0.00 O ATOM 303 CB GLN A 23 19.194 -12.586 -6.404 1.00 0.00 C ATOM 304 CG GLN A 23 20.122 -13.791 -6.289 1.00 0.00 C ATOM 305 CD GLN A 23 20.748 -14.190 -7.611 1.00 0.00 C ATOM 306 OE1 GLN A 23 20.963 -13.349 -8.489 1.00 0.00 O ATOM 307 NE2 GLN A 23 21.058 -15.468 -7.760 1.00 0.00 N ATOM 0 H GLN A 23 18.779 -13.091 -8.855 1.00 0.00 H new ATOM 0 HA GLN A 23 17.335 -13.667 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.682 -11.827 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 23 19.057 -12.156 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.913 -13.566 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 23 19.562 -14.636 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.863 -16.131 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 23 21.491 -15.790 -8.625 1.00 0.00 H new ATOM 316 N THR A 24 16.650 -11.098 -8.145 1.00 0.00 N ATOM 317 CA THR A 24 15.904 -9.851 -8.282 1.00 0.00 C ATOM 318 C THR A 24 14.469 -9.976 -7.740 1.00 0.00 C ATOM 319 O THR A 24 13.744 -8.983 -7.624 1.00 0.00 O ATOM 320 CB THR A 24 15.872 -9.421 -9.762 1.00 0.00 C ATOM 321 OG1 THR A 24 17.173 -9.607 -10.341 1.00 0.00 O ATOM 322 CG2 THR A 24 15.464 -7.962 -9.907 1.00 0.00 C ATOM 0 H THR A 24 16.912 -11.523 -9.035 1.00 0.00 H new ATOM 0 HA THR A 24 16.415 -9.093 -7.688 1.00 0.00 H new ATOM 0 HB THR A 24 15.135 -10.036 -10.278 1.00 0.00 H new ATOM 0 HG1 THR A 24 17.191 -10.449 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.451 -7.691 -10.963 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.470 -7.818 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.178 -7.330 -9.379 1.00 0.00 H new ATOM 330 N ARG A 25 14.062 -11.189 -7.382 1.00 0.00 N ATOM 331 CA ARG A 25 12.722 -11.412 -6.860 1.00 0.00 C ATOM 332 C ARG A 25 12.608 -10.921 -5.419 1.00 0.00 C ATOM 333 O ARG A 25 11.506 -10.745 -4.901 1.00 0.00 O ATOM 334 CB ARG A 25 12.338 -12.891 -6.937 1.00 0.00 C ATOM 335 CG ARG A 25 13.155 -13.796 -6.028 1.00 0.00 C ATOM 336 CD ARG A 25 12.629 -15.219 -6.064 1.00 0.00 C ATOM 337 NE ARG A 25 13.407 -16.124 -5.222 1.00 0.00 N ATOM 338 CZ ARG A 25 13.338 -17.452 -5.303 1.00 0.00 C ATOM 339 NH1 ARG A 25 12.513 -18.036 -6.170 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 14.091 -18.197 -4.508 1.00 0.00 N ATOM 0 H ARG A 25 14.639 -12.028 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 25 12.031 -10.841 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.283 -12.995 -6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 25 12.451 -13.231 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.200 -13.782 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.121 -13.418 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.589 -15.227 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.643 -15.582 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 25 14.039 -15.716 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.927 -17.466 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.467 -19.054 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.720 -17.754 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.042 -19.214 -4.566 1.00 0.00 H new ATOM 354 N LEU A 26 13.745 -10.697 -4.773 1.00 0.00 N ATOM 355 CA LEU A 26 13.749 -10.222 -3.397 1.00 0.00 C ATOM 356 C LEU A 26 14.371 -8.838 -3.304 1.00 0.00 C ATOM 357 O LEU A 26 14.754 -8.387 -2.224 1.00 0.00 O ATOM 358 CB LEU A 26 14.500 -11.194 -2.484 1.00 0.00 C ATOM 359 CG LEU A 26 13.845 -12.563 -2.304 1.00 0.00 C ATOM 360 CD1 LEU A 26 14.685 -13.426 -1.378 1.00 0.00 C ATOM 361 CD2 LEU A 26 12.429 -12.414 -1.763 1.00 0.00 C ATOM 0 H LEU A 26 14.671 -10.836 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 26 12.713 -10.163 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.503 -11.340 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.612 -10.732 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 26 13.785 -13.052 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.209 -14.399 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.679 -13.559 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.771 -12.940 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.980 -13.400 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.460 -11.908 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.833 -11.827 -2.461 1.00 0.00 H new ATOM 373 N THR A 27 14.462 -8.164 -4.439 1.00 0.00 N ATOM 374 CA THR A 27 15.016 -6.818 -4.482 1.00 0.00 C ATOM 375 C THR A 27 14.011 -5.835 -5.077 1.00 0.00 C ATOM 376 O THR A 27 14.012 -5.586 -6.284 1.00 0.00 O ATOM 377 CB THR A 27 16.325 -6.769 -5.298 1.00 0.00 C ATOM 378 OG1 THR A 27 16.110 -7.316 -6.604 1.00 0.00 O ATOM 379 CG2 THR A 27 17.432 -7.541 -4.596 1.00 0.00 C ATOM 0 H THR A 27 14.160 -8.526 -5.344 1.00 0.00 H new ATOM 0 HA THR A 27 15.236 -6.530 -3.454 1.00 0.00 H new ATOM 0 HB THR A 27 16.631 -5.727 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.308 -6.915 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 27 18.344 -7.491 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 27 17.615 -7.103 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 27 17.132 -8.582 -4.479 1.00 0.00 H new ATOM 387 N PRO A 28 13.118 -5.286 -4.242 1.00 0.00 N ATOM 388 CA PRO A 28 12.146 -4.287 -4.666 1.00 0.00 C ATOM 389 C PRO A 28 12.774 -2.899 -4.727 1.00 0.00 C ATOM 390 O PRO A 28 13.656 -2.579 -3.930 1.00 0.00 O ATOM 391 CB PRO A 28 11.066 -4.330 -3.572 1.00 0.00 C ATOM 392 CG PRO A 28 11.515 -5.355 -2.573 1.00 0.00 C ATOM 393 CD PRO A 28 12.981 -5.582 -2.814 1.00 0.00 C ATOM 0 HA PRO A 28 11.756 -4.491 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.951 -3.354 -3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.097 -4.597 -3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.340 -5.006 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.955 -6.283 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.599 -4.925 -2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.277 -6.605 -2.582 1.00 0.00 H new ATOM 401 N TYR A 29 12.334 -2.080 -5.679 1.00 0.00 N ATOM 402 CA TYR A 29 12.865 -0.726 -5.801 1.00 0.00 C ATOM 403 C TYR A 29 12.221 0.207 -4.780 1.00 0.00 C ATOM 404 O TYR A 29 12.672 1.333 -4.576 1.00 0.00 O ATOM 405 CB TYR A 29 12.704 -0.182 -7.231 1.00 0.00 C ATOM 406 CG TYR A 29 11.280 -0.097 -7.746 1.00 0.00 C ATOM 407 CD1 TYR A 29 10.392 0.846 -7.251 1.00 0.00 C ATOM 408 CD2 TYR A 29 10.837 -0.942 -8.758 1.00 0.00 C ATOM 409 CE1 TYR A 29 9.105 0.944 -7.740 1.00 0.00 C ATOM 410 CE2 TYR A 29 9.551 -0.845 -9.258 1.00 0.00 C ATOM 411 CZ TYR A 29 8.689 0.100 -8.744 1.00 0.00 C ATOM 412 OH TYR A 29 7.413 0.220 -9.246 1.00 0.00 O ATOM 0 H TYR A 29 11.622 -2.325 -6.367 1.00 0.00 H new ATOM 0 HA TYR A 29 13.933 -0.771 -5.589 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.146 0.813 -7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.278 -0.815 -7.908 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.714 1.517 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.508 -1.686 -9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.427 1.681 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.224 -1.506 -10.047 1.00 0.00 H new ATOM 0 HH TYR A 29 7.046 -0.671 -9.422 1.00 0.00 H new ATOM 422 N ALA A 30 11.175 -0.288 -4.139 1.00 0.00 N ATOM 423 CA ALA A 30 10.504 0.430 -3.063 1.00 0.00 C ATOM 424 C ALA A 30 10.370 -0.482 -1.852 1.00 0.00 C ATOM 425 O ALA A 30 9.760 -1.551 -1.936 1.00 0.00 O ATOM 426 CB ALA A 30 9.137 0.930 -3.512 1.00 0.00 C ATOM 0 H ALA A 30 10.766 -1.199 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 30 11.102 1.300 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.657 1.462 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.257 1.604 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.518 0.082 -3.806 1.00 0.00 H new ATOM 432 N GLN A 31 10.946 -0.066 -0.734 1.00 0.00 N ATOM 433 CA GLN A 31 11.006 -0.915 0.446 1.00 0.00 C ATOM 434 C GLN A 31 9.738 -0.766 1.274 1.00 0.00 C ATOM 435 O GLN A 31 9.199 -1.754 1.780 1.00 0.00 O ATOM 436 CB GLN A 31 12.234 -0.572 1.294 1.00 0.00 C ATOM 437 CG GLN A 31 13.503 -0.366 0.477 1.00 0.00 C ATOM 438 CD GLN A 31 13.830 -1.541 -0.424 1.00 0.00 C ATOM 439 OE1 GLN A 31 13.541 -2.692 -0.103 1.00 0.00 O ATOM 440 NE2 GLN A 31 14.426 -1.251 -1.570 1.00 0.00 N ATOM 0 H GLN A 31 11.377 0.851 -0.619 1.00 0.00 H new ATOM 0 HA GLN A 31 11.089 -1.951 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.029 0.333 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.402 -1.372 2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.394 0.531 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.339 -0.192 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.649 -0.282 -1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.663 -1.996 -2.225 1.00 0.00 H new ATOM 449 N ALA A 32 9.275 0.479 1.402 1.00 0.00 N ATOM 450 CA ALA A 32 8.061 0.793 2.156 1.00 0.00 C ATOM 451 C ALA A 32 8.198 0.356 3.614 1.00 0.00 C ATOM 452 O ALA A 32 9.311 0.225 4.127 1.00 0.00 O ATOM 453 CB ALA A 32 6.844 0.146 1.504 1.00 0.00 C ATOM 0 H ALA A 32 9.729 1.294 0.988 1.00 0.00 H new ATOM 0 HA ALA A 32 7.919 1.874 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.950 0.390 2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.735 0.520 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.976 -0.936 1.481 1.00 0.00 H new ATOM 459 N GLY A 33 7.072 0.148 4.283 1.00 0.00 N ATOM 460 CA GLY A 33 7.108 -0.307 5.655 1.00 0.00 C ATOM 461 C GLY A 33 5.838 0.024 6.410 1.00 0.00 C ATOM 462 O GLY A 33 5.616 1.174 6.792 1.00 0.00 O ATOM 0 H GLY A 33 6.137 0.286 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.267 -1.385 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.958 0.149 6.163 1.00 0.00 H new ATOM 466 N GLU A 34 4.994 -0.976 6.606 1.00 0.00 N ATOM 467 CA GLU A 34 3.800 -0.808 7.419 1.00 0.00 C ATOM 468 C GLU A 34 4.158 -0.929 8.893 1.00 0.00 C ATOM 469 O GLU A 34 4.947 -1.788 9.287 1.00 0.00 O ATOM 470 CB GLU A 34 2.725 -1.836 7.045 1.00 0.00 C ATOM 471 CG GLU A 34 1.527 -1.861 7.994 1.00 0.00 C ATOM 472 CD GLU A 34 0.720 -0.570 8.002 1.00 0.00 C ATOM 473 OE1 GLU A 34 1.127 0.400 8.688 1.00 0.00 O ATOM 474 OE2 GLU A 34 -0.346 -0.537 7.360 1.00 0.00 O1- ATOM 0 H GLU A 34 5.113 -1.910 6.215 1.00 0.00 H new ATOM 0 HA GLU A 34 3.392 0.185 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.371 -1.625 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.178 -2.827 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.872 -2.686 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.881 -2.063 9.005 1.00 0.00 H new ATOM 481 N ASP A 35 3.560 -0.065 9.689 1.00 0.00 N ATOM 482 CA ASP A 35 3.809 0.008 11.118 1.00 0.00 C ATOM 483 C ASP A 35 2.860 1.019 11.730 1.00 0.00 C ATOM 484 O ASP A 35 2.294 0.804 12.800 1.00 0.00 O ATOM 485 CB ASP A 35 5.257 0.417 11.405 1.00 0.00 C ATOM 486 CG ASP A 35 5.498 0.638 12.882 1.00 0.00 C ATOM 487 OD1 ASP A 35 5.712 -0.355 13.607 1.00 0.00 O ATOM 488 OD2 ASP A 35 5.458 1.805 13.323 1.00 0.00 O1- ATOM 0 H ASP A 35 2.877 0.617 9.358 1.00 0.00 H new ATOM 0 HA ASP A 35 3.644 -0.977 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.932 -0.356 11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.492 1.330 10.858 1.00 0.00 H new ATOM 493 N ASN A 36 2.688 2.124 11.026 1.00 0.00 N ATOM 494 CA ASN A 36 1.767 3.167 11.440 1.00 0.00 C ATOM 495 C ASN A 36 1.311 3.961 10.222 1.00 0.00 C ATOM 496 O ASN A 36 0.999 5.146 10.316 1.00 0.00 O ATOM 497 CB ASN A 36 2.424 4.093 12.474 1.00 0.00 C ATOM 498 CG ASN A 36 3.635 4.831 11.929 1.00 0.00 C ATOM 499 OD1 ASN A 36 3.516 5.937 11.398 1.00 0.00 O ATOM 500 ND2 ASN A 36 4.810 4.235 12.066 1.00 0.00 N ATOM 0 H ASN A 36 3.181 2.323 10.155 1.00 0.00 H new ATOM 0 HA ASN A 36 0.898 2.705 11.908 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.689 4.819 12.821 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.724 3.504 13.341 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.656 4.692 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.868 3.319 12.511 1.00 0.00 H new ATOM 507 N TRP A 37 1.252 3.287 9.078 1.00 0.00 N ATOM 508 CA TRP A 37 0.942 3.950 7.818 1.00 0.00 C ATOM 509 C TRP A 37 -0.567 3.978 7.588 1.00 0.00 C ATOM 510 O TRP A 37 -1.112 4.962 7.099 1.00 0.00 O ATOM 511 CB TRP A 37 1.641 3.226 6.655 1.00 0.00 C ATOM 512 CG TRP A 37 1.850 4.067 5.435 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.637 5.407 5.297 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.355 3.610 4.183 1.00 0.00 C ATOM 515 NE1 TRP A 37 1.979 5.808 4.027 1.00 0.00 N ATOM 516 CE2 TRP A 37 2.423 4.719 3.325 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.760 2.362 3.709 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.877 4.617 2.015 1.00 0.00 C ATOM 519 CZ3 TRP A 37 3.209 2.259 2.412 1.00 0.00 C ATOM 520 CH2 TRP A 37 3.266 3.382 1.578 1.00 0.00 C ATOM 0 H TRP A 37 1.415 2.283 8.998 1.00 0.00 H new ATOM 0 HA TRP A 37 1.305 4.977 7.866 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.609 2.862 7.000 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.051 2.352 6.381 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.256 6.057 6.071 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.913 6.760 3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.722 1.492 4.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.921 5.480 1.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.522 1.298 2.032 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.626 3.270 0.566 1.00 0.00 H new ATOM 531 N ARG A 38 -1.235 2.900 7.981 1.00 0.00 N ATOM 532 CA ARG A 38 -2.660 2.720 7.705 1.00 0.00 C ATOM 533 C ARG A 38 -3.519 3.692 8.500 1.00 0.00 C ATOM 534 O ARG A 38 -4.601 4.078 8.057 1.00 0.00 O ATOM 535 CB ARG A 38 -3.100 1.288 7.997 1.00 0.00 C ATOM 536 CG ARG A 38 -2.879 0.859 9.437 1.00 0.00 C ATOM 537 CD ARG A 38 -3.225 -0.602 9.632 1.00 0.00 C ATOM 538 NE ARG A 38 -2.389 -1.469 8.802 1.00 0.00 N ATOM 539 CZ ARG A 38 -2.494 -2.793 8.760 1.00 0.00 C ATOM 540 NH1 ARG A 38 -3.412 -3.411 9.494 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -1.681 -3.496 7.981 1.00 0.00 N ATOM 0 H ARG A 38 -0.810 2.129 8.497 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.803 2.927 6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.158 1.187 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.557 0.610 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.839 1.029 9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.490 1.472 10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.098 -0.870 10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.275 -0.764 9.386 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.679 -1.028 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.037 -2.869 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.492 -4.427 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.978 -3.020 7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.760 -4.512 7.947 1.00 0.00 H new ATOM 555 N SER A 39 -3.047 4.082 9.672 1.00 0.00 N ATOM 556 CA SER A 39 -3.746 5.073 10.467 1.00 0.00 C ATOM 557 C SER A 39 -3.749 6.404 9.723 1.00 0.00 C ATOM 558 O SER A 39 -4.751 7.124 9.698 1.00 0.00 O ATOM 559 CB SER A 39 -3.083 5.202 11.838 1.00 0.00 C ATOM 560 OG SER A 39 -1.670 5.237 11.712 1.00 0.00 O ATOM 0 H SER A 39 -2.187 3.729 10.091 1.00 0.00 H new ATOM 0 HA SER A 39 -4.779 4.763 10.624 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.431 6.109 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.376 4.363 12.469 1.00 0.00 H new ATOM 0 HG SER A 39 -1.264 5.321 12.600 1.00 0.00 H new ATOM 566 N ARG A 40 -2.631 6.695 9.065 1.00 0.00 N ATOM 567 CA ARG A 40 -2.514 7.885 8.261 1.00 0.00 C ATOM 568 C ARG A 40 -3.299 7.683 6.971 1.00 0.00 C ATOM 569 O ARG A 40 -3.945 8.599 6.456 1.00 0.00 O ATOM 570 CB ARG A 40 -1.043 8.168 7.948 1.00 0.00 C ATOM 571 CG ARG A 40 -0.061 7.757 9.042 1.00 0.00 C ATOM 572 CD ARG A 40 -0.257 8.562 10.318 1.00 0.00 C ATOM 573 NE ARG A 40 0.163 9.950 10.156 1.00 0.00 N ATOM 574 CZ ARG A 40 0.875 10.620 11.060 1.00 0.00 C ATOM 575 NH1 ARG A 40 1.278 10.025 12.174 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 1.202 11.884 10.832 1.00 0.00 N ATOM 0 H ARG A 40 -1.794 6.113 9.080 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.917 8.739 8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.776 7.649 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.926 9.235 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.185 6.696 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.959 7.891 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.307 8.532 10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.311 8.103 11.127 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.105 10.436 9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.043 9.047 12.344 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.823 10.545 12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.908 12.339 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.747 12.402 11.521 1.00 0.00 H new ATOM 590 N ILE A 41 -3.227 6.456 6.462 1.00 0.00 N ATOM 591 CA ILE A 41 -3.956 6.047 5.272 1.00 0.00 C ATOM 592 C ILE A 41 -5.461 6.255 5.458 1.00 0.00 C ATOM 593 O ILE A 41 -6.164 6.662 4.531 1.00 0.00 O ATOM 594 CB ILE A 41 -3.650 4.564 4.931 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.303 4.463 4.211 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.759 3.926 4.101 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.862 3.040 3.942 1.00 0.00 C ATOM 0 H ILE A 41 -2.656 5.715 6.869 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.627 6.669 4.440 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.598 4.009 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.366 5.000 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.542 4.963 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.502 2.889 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.696 3.960 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.873 4.473 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.900 3.048 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.766 2.504 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.602 2.542 3.316 1.00 0.00 H new ATOM 609 N SER A 42 -5.949 5.987 6.658 1.00 0.00 N ATOM 610 CA SER A 42 -7.338 6.262 6.985 1.00 0.00 C ATOM 611 C SER A 42 -7.627 7.758 6.827 1.00 0.00 C ATOM 612 O SER A 42 -8.622 8.148 6.209 1.00 0.00 O ATOM 613 CB SER A 42 -7.646 5.795 8.410 1.00 0.00 C ATOM 614 OG SER A 42 -7.371 4.410 8.557 1.00 0.00 O ATOM 0 H SER A 42 -5.406 5.581 7.420 1.00 0.00 H new ATOM 0 HA SER A 42 -7.982 5.713 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.050 6.366 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.693 5.989 8.643 1.00 0.00 H new ATOM 0 HG SER A 42 -6.411 4.253 8.438 1.00 0.00 H new ATOM 620 N GLY A 43 -6.731 8.588 7.351 1.00 0.00 N ATOM 621 CA GLY A 43 -6.899 10.029 7.252 1.00 0.00 C ATOM 622 C GLY A 43 -6.967 10.533 5.815 1.00 0.00 C ATOM 623 O GLY A 43 -7.893 11.262 5.453 1.00 0.00 O ATOM 0 H GLY A 43 -5.889 8.289 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.811 10.318 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.071 10.520 7.763 1.00 0.00 H new ATOM 627 N ARG A 44 -6.007 10.134 4.984 1.00 0.00 N ATOM 628 CA ARG A 44 -5.961 10.614 3.602 1.00 0.00 C ATOM 629 C ARG A 44 -7.129 10.062 2.783 1.00 0.00 C ATOM 630 O ARG A 44 -7.568 10.690 1.826 1.00 0.00 O ATOM 631 CB ARG A 44 -4.604 10.355 2.916 1.00 0.00 C ATOM 632 CG ARG A 44 -4.558 9.201 1.937 1.00 0.00 C ATOM 633 CD ARG A 44 -4.411 7.852 2.598 1.00 0.00 C ATOM 634 NE ARG A 44 -4.094 6.816 1.612 1.00 0.00 N ATOM 635 CZ ARG A 44 -4.914 5.829 1.260 1.00 0.00 C ATOM 636 NH1 ARG A 44 -6.086 5.687 1.861 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -4.554 4.984 0.298 1.00 0.00 N ATOM 0 H ARG A 44 -5.259 9.488 5.237 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.068 11.698 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.308 11.262 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.857 10.177 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.470 9.206 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.726 9.352 1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.624 7.896 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.334 7.595 3.117 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.179 6.854 1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.364 6.336 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.711 4.929 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.653 5.094 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.179 4.226 0.025 1.00 0.00 H new ATOM 651 N LEU A 45 -7.615 8.878 3.137 1.00 0.00 N ATOM 652 CA LEU A 45 -8.764 8.297 2.454 1.00 0.00 C ATOM 653 C LEU A 45 -9.999 9.165 2.696 1.00 0.00 C ATOM 654 O LEU A 45 -10.874 9.286 1.846 1.00 0.00 O ATOM 655 CB LEU A 45 -9.000 6.878 2.969 1.00 0.00 C ATOM 656 CG LEU A 45 -9.364 5.845 1.898 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.095 4.436 2.407 1.00 0.00 C ATOM 658 CD2 LEU A 45 -10.816 5.974 1.483 1.00 0.00 C ATOM 0 H LEU A 45 -7.234 8.304 3.889 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.571 8.255 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.100 6.542 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.799 6.906 3.710 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.740 6.036 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.359 3.714 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.038 4.334 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.695 4.250 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.045 5.228 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.458 5.816 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.992 6.971 1.078 1.00 0.00 H new ATOM 670 N ASN A 46 -10.017 9.799 3.860 1.00 0.00 N ATOM 671 CA ASN A 46 -11.112 10.667 4.282 1.00 0.00 C ATOM 672 C ASN A 46 -11.089 11.945 3.467 1.00 0.00 C ATOM 673 O ASN A 46 -12.127 12.563 3.216 1.00 0.00 O ATOM 674 CB ASN A 46 -10.999 10.983 5.779 1.00 0.00 C ATOM 675 CG ASN A 46 -12.138 11.851 6.284 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.188 11.347 6.681 1.00 0.00 O ATOM 677 ND2 ASN A 46 -11.930 13.161 6.289 1.00 0.00 N ATOM 0 H ASN A 46 -9.266 9.726 4.546 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.059 10.154 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.982 10.050 6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.052 11.488 5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.655 13.791 6.631 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.045 13.538 5.951 1.00 0.00 H new ATOM 684 N ARG A 47 -9.883 12.320 3.050 1.00 0.00 N ATOM 685 CA ARG A 47 -9.680 13.430 2.130 1.00 0.00 C ATOM 686 C ARG A 47 -10.542 13.246 0.882 1.00 0.00 C ATOM 687 O ARG A 47 -10.908 14.217 0.213 1.00 0.00 O ATOM 688 CB ARG A 47 -8.185 13.530 1.771 1.00 0.00 C ATOM 689 CG ARG A 47 -7.901 13.888 0.320 1.00 0.00 C ATOM 690 CD ARG A 47 -6.404 13.962 0.035 1.00 0.00 C ATOM 691 NE ARG A 47 -6.132 14.368 -1.346 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.937 14.298 -1.942 1.00 0.00 C ATOM 693 NH1 ARG A 47 -3.868 13.856 -1.284 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.814 14.683 -3.206 1.00 0.00 N ATOM 0 H ARG A 47 -9.020 11.861 3.342 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.984 14.362 2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.721 14.279 2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.707 12.577 1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.359 13.145 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.363 14.847 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.938 14.670 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.950 12.989 0.224 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.912 14.731 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.953 13.564 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.964 13.809 -1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.627 15.029 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.906 14.633 -3.668 1.00 0.00 H new ATOM 708 N PHE A 48 -10.887 12.001 0.575 1.00 0.00 N ATOM 709 CA PHE A 48 -11.766 11.741 -0.544 1.00 0.00 C ATOM 710 C PHE A 48 -13.117 11.179 -0.101 1.00 0.00 C ATOM 711 O PHE A 48 -14.153 11.797 -0.337 1.00 0.00 O ATOM 712 CB PHE A 48 -11.120 10.779 -1.535 1.00 0.00 C ATOM 713 CG PHE A 48 -10.010 11.369 -2.362 1.00 0.00 C ATOM 714 CD1 PHE A 48 -10.290 12.044 -3.538 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.691 11.228 -1.974 1.00 0.00 C ATOM 716 CE1 PHE A 48 -9.272 12.571 -4.311 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.668 11.751 -2.745 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.959 12.424 -3.914 1.00 0.00 C ATOM 0 H PHE A 48 -10.574 11.172 1.080 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.939 12.702 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.728 9.924 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.891 10.400 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.316 12.160 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.456 10.704 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.505 13.097 -5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.641 11.632 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.162 12.834 -4.516 1.00 0.00 H new ATOM 728 N LYS A 49 -13.099 10.040 0.582 1.00 0.00 N ATOM 729 CA LYS A 49 -14.325 9.338 0.970 1.00 0.00 C ATOM 730 C LYS A 49 -14.030 8.300 2.040 1.00 0.00 C ATOM 731 O LYS A 49 -13.514 7.231 1.741 1.00 0.00 O ATOM 732 CB LYS A 49 -14.959 8.625 -0.238 1.00 0.00 C ATOM 733 CG LYS A 49 -15.844 9.499 -1.112 1.00 0.00 C ATOM 734 CD LYS A 49 -17.323 9.214 -0.889 1.00 0.00 C ATOM 735 CE LYS A 49 -17.773 9.553 0.525 1.00 0.00 C ATOM 736 NZ LYS A 49 -19.224 9.288 0.724 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.242 9.576 0.883 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.018 10.085 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.162 8.211 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.550 7.785 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.641 10.549 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.596 9.332 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.913 9.789 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.521 8.161 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.196 8.967 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.564 10.603 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.491 9.532 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.777 9.866 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.420 8.281 0.553 1.00 0.00 H new ATOM 750 N ARG A 50 -14.366 8.599 3.281 1.00 0.00 N ATOM 751 CA ARG A 50 -14.176 7.636 4.353 1.00 0.00 C ATOM 752 C ARG A 50 -15.418 7.536 5.227 1.00 0.00 C ATOM 753 O ARG A 50 -15.733 8.436 6.006 1.00 0.00 O ATOM 754 CB ARG A 50 -12.945 7.989 5.189 1.00 0.00 C ATOM 755 CG ARG A 50 -12.731 7.083 6.392 1.00 0.00 C ATOM 756 CD ARG A 50 -11.378 7.336 7.029 1.00 0.00 C ATOM 757 NE ARG A 50 -11.342 6.953 8.438 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.787 7.697 9.392 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.190 8.838 9.074 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -10.816 7.295 10.657 1.00 0.00 N ATOM 0 H ARG A 50 -14.768 9.491 3.571 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.009 6.659 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.062 7.944 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.037 9.019 5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.520 7.253 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.802 6.040 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.614 6.780 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.129 8.393 6.937 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.766 6.065 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.157 9.143 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.764 9.411 9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.265 6.412 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.389 7.869 11.384 1.00 0.00 H new ATOM 774 N TYR A 51 -16.128 6.434 5.064 1.00 0.00 N ATOM 775 CA TYR A 51 -17.315 6.148 5.843 1.00 0.00 C ATOM 776 C TYR A 51 -16.988 5.078 6.882 1.00 0.00 C ATOM 777 O TYR A 51 -16.198 4.184 6.598 1.00 0.00 O ATOM 778 CB TYR A 51 -18.410 5.650 4.902 1.00 0.00 C ATOM 779 CG TYR A 51 -19.794 6.075 5.313 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.262 7.340 5.000 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.625 5.222 6.018 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.521 7.746 5.380 1.00 0.00 C ATOM 783 CE2 TYR A 51 -21.887 5.621 6.406 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.332 6.884 6.083 1.00 0.00 C ATOM 785 OH TYR A 51 -23.589 7.290 6.474 1.00 0.00 O ATOM 0 H TYR A 51 -15.895 5.710 4.384 1.00 0.00 H new ATOM 0 HA TYR A 51 -17.658 7.046 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.209 6.019 3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.371 4.562 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -19.629 8.019 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.280 4.229 6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -21.871 8.736 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.523 4.947 6.960 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.031 6.563 6.959 1.00 0.00 H new ATOM 795 N PRO A 52 -17.558 5.169 8.099 1.00 0.00 N ATOM 796 CA PRO A 52 -17.353 4.163 9.157 1.00 0.00 C ATOM 797 C PRO A 52 -17.709 2.751 8.686 1.00 0.00 C ATOM 798 O PRO A 52 -18.779 2.532 8.116 1.00 0.00 O ATOM 799 CB PRO A 52 -18.303 4.611 10.281 1.00 0.00 C ATOM 800 CG PRO A 52 -19.213 5.619 9.663 1.00 0.00 C ATOM 801 CD PRO A 52 -18.428 6.261 8.556 1.00 0.00 C ATOM 0 HA PRO A 52 -16.310 4.109 9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -18.866 3.766 10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -17.748 5.043 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.116 5.145 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.530 6.360 10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.076 6.623 7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.852 7.115 8.911 1.00 0.00 H new ATOM 809 N LYS A 53 -16.811 1.795 8.955 1.00 0.00 N ATOM 810 CA LYS A 53 -16.917 0.436 8.408 1.00 0.00 C ATOM 811 C LYS A 53 -18.185 -0.273 8.859 1.00 0.00 C ATOM 812 O LYS A 53 -18.652 -1.188 8.184 1.00 0.00 O ATOM 813 CB LYS A 53 -15.709 -0.424 8.807 1.00 0.00 C ATOM 814 CG LYS A 53 -14.353 0.074 8.311 1.00 0.00 C ATOM 815 CD LYS A 53 -14.290 0.197 6.794 1.00 0.00 C ATOM 816 CE LYS A 53 -14.835 1.534 6.324 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.068 2.671 6.901 1.00 0.00 N1+ ATOM 0 H LYS A 53 -15.997 1.939 9.553 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.946 0.554 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.676 -0.491 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.865 -1.435 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.141 1.045 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.574 -0.610 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.258 0.085 6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.861 -0.611 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.795 1.582 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.884 1.620 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.727 3.351 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.413 2.315 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.528 3.143 6.148 1.00 0.00 H new ATOM 831 N ASP A 54 -18.731 0.135 9.998 1.00 0.00 N ATOM 832 CA ASP A 54 -19.953 -0.472 10.525 1.00 0.00 C ATOM 833 C ASP A 54 -21.080 -0.400 9.500 1.00 0.00 C ATOM 834 O ASP A 54 -21.809 -1.374 9.297 1.00 0.00 O ATOM 835 CB ASP A 54 -20.379 0.214 11.824 1.00 0.00 C ATOM 836 CG ASP A 54 -21.646 -0.382 12.400 1.00 0.00 C ATOM 837 OD1 ASP A 54 -21.596 -1.530 12.895 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -22.694 0.291 12.351 1.00 0.00 O ATOM 0 H ASP A 54 -18.349 0.883 10.576 1.00 0.00 H new ATOM 0 HA ASP A 54 -19.743 -1.521 10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -19.576 0.131 12.556 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.532 1.277 11.638 1.00 0.00 H new ATOM 843 N ALA A 55 -21.188 0.741 8.832 1.00 0.00 N ATOM 844 CA ALA A 55 -22.203 0.936 7.809 1.00 0.00 C ATOM 845 C ALA A 55 -21.905 0.088 6.581 1.00 0.00 C ATOM 846 O ALA A 55 -22.817 -0.357 5.890 1.00 0.00 O ATOM 847 CB ALA A 55 -22.300 2.405 7.435 1.00 0.00 C ATOM 0 H ALA A 55 -20.582 1.548 8.982 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.163 0.617 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.064 2.536 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.567 2.988 8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.339 2.747 7.052 1.00 0.00 H new ATOM 853 N LEU A 56 -20.625 -0.146 6.323 1.00 0.00 N ATOM 854 CA LEU A 56 -20.214 -0.953 5.182 1.00 0.00 C ATOM 855 C LEU A 56 -20.478 -2.427 5.446 1.00 0.00 C ATOM 856 O LEU A 56 -20.956 -3.138 4.578 1.00 0.00 O ATOM 857 CB LEU A 56 -18.730 -0.743 4.859 1.00 0.00 C ATOM 858 CG LEU A 56 -18.354 0.599 4.217 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.201 0.866 2.986 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.480 1.744 5.206 1.00 0.00 C ATOM 0 H LEU A 56 -19.854 0.211 6.888 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.804 -0.632 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.161 -0.851 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.409 -1.543 4.191 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.310 0.534 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.916 1.823 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.043 0.072 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.254 0.895 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.206 2.679 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.509 1.808 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.816 1.569 6.052 1.00 0.00 H new ATOM 872 N ARG A 57 -20.191 -2.880 6.657 1.00 0.00 N ATOM 873 CA ARG A 57 -20.466 -4.268 7.027 1.00 0.00 C ATOM 874 C ARG A 57 -21.963 -4.553 6.926 1.00 0.00 C ATOM 875 O ARG A 57 -22.384 -5.693 6.741 1.00 0.00 O ATOM 876 CB ARG A 57 -19.984 -4.559 8.446 1.00 0.00 C ATOM 877 CG ARG A 57 -18.502 -4.313 8.656 1.00 0.00 C ATOM 878 CD ARG A 57 -18.088 -4.631 10.082 1.00 0.00 C ATOM 879 NE ARG A 57 -18.855 -3.869 11.066 1.00 0.00 N ATOM 880 CZ ARG A 57 -18.347 -3.425 12.211 1.00 0.00 C ATOM 881 NH1 ARG A 57 -17.059 -3.606 12.480 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -19.119 -2.778 13.074 1.00 0.00 N ATOM 0 H ARG A 57 -19.772 -2.317 7.397 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.926 -4.915 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -20.547 -3.940 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -20.208 -5.598 8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.927 -4.927 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.268 -3.273 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.221 -5.697 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.027 -4.416 10.206 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.834 -3.667 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.460 -4.086 11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.669 -3.265 13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.104 -2.621 12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.728 -2.438 13.952 1.00 0.00 H new ATOM 896 N LEU A 58 -22.747 -3.493 7.040 1.00 0.00 N ATOM 897 CA LEU A 58 -24.195 -3.575 6.970 1.00 0.00 C ATOM 898 C LEU A 58 -24.681 -3.372 5.532 1.00 0.00 C ATOM 899 O LEU A 58 -25.830 -3.673 5.203 1.00 0.00 O ATOM 900 CB LEU A 58 -24.789 -2.501 7.886 1.00 0.00 C ATOM 901 CG LEU A 58 -26.306 -2.538 8.064 1.00 0.00 C ATOM 902 CD1 LEU A 58 -26.731 -3.812 8.775 1.00 0.00 C ATOM 903 CD2 LEU A 58 -26.777 -1.312 8.834 1.00 0.00 C ATOM 0 H LEU A 58 -22.394 -2.547 7.184 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.519 -4.564 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -24.325 -2.592 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -24.513 -1.523 7.493 1.00 0.00 H new ATOM 0 HG LEU A 58 -26.771 -2.528 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -27.815 -3.819 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -26.424 -4.677 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -26.260 -3.855 9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.860 -1.351 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -26.304 -1.295 9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -26.505 -0.411 8.285 1.00 0.00 H new ATOM 915 N LYS A 59 -23.793 -2.888 4.671 1.00 0.00 N ATOM 916 CA LYS A 59 -24.174 -2.494 3.320 1.00 0.00 C ATOM 917 C LYS A 59 -23.227 -3.077 2.267 1.00 0.00 C ATOM 918 O LYS A 59 -23.593 -3.997 1.536 1.00 0.00 O ATOM 919 CB LYS A 59 -24.217 -0.965 3.223 1.00 0.00 C ATOM 920 CG LYS A 59 -24.509 -0.441 1.828 1.00 0.00 C ATOM 921 CD LYS A 59 -24.509 1.082 1.789 1.00 0.00 C ATOM 922 CE LYS A 59 -23.156 1.654 2.186 1.00 0.00 C ATOM 923 NZ LYS A 59 -23.094 3.128 2.007 1.00 0.00 N1+ ATOM 0 H LYS A 59 -22.804 -2.759 4.885 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.166 -2.898 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -24.978 -0.589 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.261 -0.563 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.763 -0.823 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.477 -0.814 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.767 1.421 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.277 1.463 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.951 1.408 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.375 1.184 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.327 3.365 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.999 3.470 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.913 3.582 2.925 1.00 0.00 H new ATOM 937 N ARG A 60 -22.014 -2.543 2.201 1.00 0.00 N ATOM 938 CA ARG A 60 -21.039 -2.963 1.203 1.00 0.00 C ATOM 939 C ARG A 60 -19.910 -3.739 1.862 1.00 0.00 C ATOM 940 O ARG A 60 -18.932 -3.155 2.332 1.00 0.00 O ATOM 941 CB ARG A 60 -20.450 -1.754 0.479 1.00 0.00 C ATOM 942 CG ARG A 60 -21.483 -0.805 -0.094 1.00 0.00 C ATOM 943 CD ARG A 60 -22.255 -1.406 -1.256 1.00 0.00 C ATOM 944 NE ARG A 60 -23.094 -0.397 -1.901 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.057 -0.663 -2.779 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.305 -1.914 -3.149 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -24.768 0.334 -3.291 1.00 0.00 N ATOM 0 H ARG A 60 -21.681 -1.814 2.831 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.552 -3.600 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -19.814 -1.204 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.809 -2.106 -0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.182 -0.519 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -20.987 0.107 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.559 -1.825 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.876 -2.228 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 60 -22.929 0.580 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.755 -2.680 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.045 -2.109 -3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -24.574 1.295 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -25.508 0.139 -3.965 1.00 0.00 H new ATOM 961 N GLN A 61 -20.062 -5.045 1.914 1.00 0.00 N ATOM 962 CA GLN A 61 -19.032 -5.910 2.462 1.00 0.00 C ATOM 963 C GLN A 61 -18.039 -6.256 1.360 1.00 0.00 C ATOM 964 O GLN A 61 -18.281 -5.952 0.197 1.00 0.00 O ATOM 965 CB GLN A 61 -19.670 -7.180 3.017 1.00 0.00 C ATOM 966 CG GLN A 61 -20.930 -6.916 3.825 1.00 0.00 C ATOM 967 CD GLN A 61 -21.642 -8.188 4.232 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.566 -9.209 3.546 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.347 -8.133 5.348 1.00 0.00 N ATOM 0 H GLN A 61 -20.892 -5.536 1.582 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.510 -5.400 3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.910 -7.849 2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.945 -7.698 3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.671 -6.348 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.609 -6.296 3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.383 -7.267 5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.855 -8.956 5.671 1.00 0.00 H new ATOM 978 N GLY A 62 -16.916 -6.856 1.712 1.00 0.00 N ATOM 979 CA GLY A 62 -15.982 -7.274 0.690 1.00 0.00 C ATOM 980 C GLY A 62 -14.551 -7.324 1.163 1.00 0.00 C ATOM 981 O GLY A 62 -13.988 -6.314 1.575 1.00 0.00 O ATOM 0 H GLY A 62 -16.636 -7.059 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.271 -8.261 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.052 -6.590 -0.156 1.00 0.00 H new ATOM 985 N VAL A 63 -13.958 -8.499 1.096 1.00 0.00 N ATOM 986 CA VAL A 63 -12.556 -8.660 1.434 1.00 0.00 C ATOM 987 C VAL A 63 -11.756 -8.954 0.175 1.00 0.00 C ATOM 988 O VAL A 63 -12.047 -9.908 -0.551 1.00 0.00 O ATOM 989 CB VAL A 63 -12.337 -9.798 2.453 1.00 0.00 C ATOM 990 CG1 VAL A 63 -10.866 -9.921 2.818 1.00 0.00 C ATOM 991 CG2 VAL A 63 -13.174 -9.575 3.702 1.00 0.00 C ATOM 0 H VAL A 63 -14.426 -9.359 0.810 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.218 -7.729 1.889 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.656 -10.730 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.736 -10.729 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.285 -10.137 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.521 -8.985 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -13.003 -10.390 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.891 -8.630 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.230 -9.545 3.432 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.761 -8.131 -0.081 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.891 -8.338 -1.216 1.00 0.00 C ATOM 1003 C GLY A 64 -8.608 -7.557 -1.068 1.00 0.00 C ATOM 1004 O GLY A 64 -8.515 -6.668 -0.227 1.00 0.00 O ATOM 0 H GLY A 64 -10.536 -7.312 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.665 -9.400 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.402 -8.034 -2.130 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.615 -7.872 -1.873 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.352 -7.163 -1.801 1.00 0.00 C ATOM 1010 C GLN A 65 -6.262 -6.179 -2.949 1.00 0.00 C ATOM 1011 O GLN A 65 -6.519 -6.526 -4.102 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.169 -8.131 -1.813 1.00 0.00 C ATOM 1013 CG GLN A 65 -5.217 -9.147 -0.684 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.920 -9.912 -0.522 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.166 -10.097 -1.478 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -3.658 -10.378 0.688 1.00 0.00 N ATOM 0 H GLN A 65 -7.655 -8.607 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.309 -6.617 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.148 -8.658 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.242 -7.563 -1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.449 -8.634 0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.027 -9.852 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.309 -10.203 1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.805 -10.912 0.855 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.911 -4.953 -2.617 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.942 -3.852 -3.554 1.00 0.00 C ATOM 1027 C VAL A 66 -4.546 -3.259 -3.723 1.00 0.00 C ATOM 1028 O VAL A 66 -3.960 -2.725 -2.781 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.959 -2.792 -3.062 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.743 -1.428 -3.686 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.374 -3.265 -3.344 1.00 0.00 C ATOM 0 H VAL A 66 -5.594 -4.693 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.262 -4.209 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.803 -2.680 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.487 -0.730 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.745 -1.068 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.842 -1.503 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.084 -2.515 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.501 -3.415 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.554 -4.205 -2.823 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.006 -3.399 -4.923 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.668 -2.920 -5.223 1.00 0.00 C ATOM 1043 C ARG A 67 -2.753 -1.691 -6.107 1.00 0.00 C ATOM 1044 O ARG A 67 -3.545 -1.652 -7.052 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.848 -3.997 -5.942 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.372 -3.660 -6.038 1.00 0.00 C ATOM 1047 CD ARG A 67 0.318 -4.463 -7.121 1.00 0.00 C ATOM 1048 NE ARG A 67 -0.200 -4.134 -8.450 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.452 -3.379 -9.333 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.683 -2.965 -9.069 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 -0.116 -3.058 -10.489 1.00 0.00 N ATOM 0 H ARG A 67 -4.479 -3.844 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.176 -2.673 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.964 -4.945 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.248 -4.139 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.255 -2.596 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.109 -3.854 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.390 -4.270 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.180 -5.527 -6.929 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.113 -4.504 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.131 -3.224 -8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.183 -2.387 -9.745 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.056 -3.390 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.388 -2.480 -11.161 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.937 -0.696 -5.815 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.941 0.527 -6.590 1.00 0.00 C ATOM 1067 C PHE A 68 -0.588 1.216 -6.570 1.00 0.00 C ATOM 1068 O PHE A 68 0.217 1.029 -5.654 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.032 1.490 -6.098 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.239 1.526 -4.610 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.196 1.813 -3.746 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.493 1.280 -4.079 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.402 1.852 -2.382 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.705 1.322 -2.716 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.658 1.606 -1.867 1.00 0.00 C ATOM 0 H PHE A 68 -1.265 -0.712 -5.048 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.159 0.247 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.785 2.496 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.975 1.216 -6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.211 2.008 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.316 1.052 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.580 2.075 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.690 1.133 -2.316 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.820 1.636 -0.800 1.00 0.00 H new ATOM 1085 N THR A 69 -0.336 1.976 -7.620 1.00 0.00 N ATOM 1086 CA THR A 69 0.812 2.857 -7.680 1.00 0.00 C ATOM 1087 C THR A 69 0.353 4.261 -7.338 1.00 0.00 C ATOM 1088 O THR A 69 -0.673 4.721 -7.840 1.00 0.00 O ATOM 1089 CB THR A 69 1.468 2.842 -9.071 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.755 1.490 -9.458 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.751 3.657 -9.070 1.00 0.00 C ATOM 0 H THR A 69 -0.922 1.999 -8.454 1.00 0.00 H new ATOM 0 HA THR A 69 1.561 2.512 -6.967 1.00 0.00 H new ATOM 0 HB THR A 69 0.774 3.287 -9.785 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.171 1.485 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.198 3.633 -10.064 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.527 4.688 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.449 3.235 -8.347 1.00 0.00 H new ATOM 1099 N LEU A 70 1.096 4.928 -6.473 1.00 0.00 N ATOM 1100 CA LEU A 70 0.643 6.185 -5.912 1.00 0.00 C ATOM 1101 C LEU A 70 1.610 7.321 -6.194 1.00 0.00 C ATOM 1102 O LEU A 70 2.833 7.148 -6.161 1.00 0.00 O ATOM 1103 CB LEU A 70 0.447 6.013 -4.413 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.539 4.909 -4.042 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.520 4.653 -2.545 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.938 5.273 -4.518 1.00 0.00 C ATOM 0 H LEU A 70 2.012 4.621 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.301 6.452 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.411 5.796 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.098 6.956 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.237 3.988 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.230 3.862 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.481 4.348 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.797 5.565 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.633 4.478 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.252 6.205 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.933 5.398 -5.601 1.00 0.00 H new ATOM 1118 N ASP A 71 1.043 8.477 -6.494 1.00 0.00 N ATOM 1119 CA ASP A 71 1.820 9.673 -6.762 1.00 0.00 C ATOM 1120 C ASP A 71 2.192 10.372 -5.461 1.00 0.00 C ATOM 1121 O ASP A 71 1.550 10.144 -4.436 1.00 0.00 O ATOM 1122 CB ASP A 71 1.025 10.623 -7.662 1.00 0.00 C ATOM 1123 CG ASP A 71 1.802 11.865 -8.048 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.747 12.864 -7.301 1.00 0.00 O ATOM 1125 OD2 ASP A 71 2.476 11.844 -9.099 1.00 0.00 O1- ATOM 0 H ASP A 71 0.034 8.612 -6.558 1.00 0.00 H new ATOM 0 HA ASP A 71 2.738 9.384 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.727 10.093 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.110 10.919 -7.149 1.00 0.00 H new ATOM 1130 N ARG A 72 3.215 11.209 -5.504 1.00 0.00 N ATOM 1131 CA ARG A 72 3.670 11.949 -4.329 1.00 0.00 C ATOM 1132 C ARG A 72 2.523 12.724 -3.677 1.00 0.00 C ATOM 1133 O ARG A 72 2.392 12.748 -2.450 1.00 0.00 O ATOM 1134 CB ARG A 72 4.792 12.915 -4.726 1.00 0.00 C ATOM 1135 CG ARG A 72 5.435 13.632 -3.555 1.00 0.00 C ATOM 1136 CD ARG A 72 6.618 14.470 -4.004 1.00 0.00 C ATOM 1137 NE ARG A 72 7.511 14.783 -2.894 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.842 14.811 -2.999 1.00 0.00 C ATOM 1139 NH1 ARG A 72 9.418 14.689 -4.191 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 9.592 14.981 -1.917 1.00 0.00 N ATOM 0 H ARG A 72 3.755 11.397 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 72 4.046 11.229 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.560 12.361 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.391 13.657 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.698 14.271 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.763 12.902 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.171 13.935 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.258 15.396 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 72 7.095 14.992 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.843 14.574 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.435 14.710 -4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.152 15.090 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.608 15.002 -1.999 1.00 0.00 H new ATOM 1154 N GLN A 73 1.671 13.323 -4.503 1.00 0.00 N ATOM 1155 CA GLN A 73 0.558 14.123 -4.004 1.00 0.00 C ATOM 1156 C GLN A 73 -0.684 13.262 -3.791 1.00 0.00 C ATOM 1157 O GLN A 73 -1.800 13.775 -3.662 1.00 0.00 O ATOM 1158 CB GLN A 73 0.249 15.271 -4.967 1.00 0.00 C ATOM 1159 CG GLN A 73 1.367 16.298 -5.064 1.00 0.00 C ATOM 1160 CD GLN A 73 1.029 17.443 -5.998 1.00 0.00 C ATOM 1161 OE1 GLN A 73 0.300 17.271 -6.975 1.00 0.00 O ATOM 1162 NE2 GLN A 73 1.547 18.622 -5.700 1.00 0.00 N ATOM 0 H GLN A 73 1.730 13.270 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 73 0.850 14.542 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.056 14.861 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.665 15.770 -4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.578 16.695 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.276 15.808 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.147 18.723 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.347 19.430 -6.289 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.480 11.951 -3.756 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.569 11.026 -3.524 1.00 0.00 C ATOM 1173 C GLY A 74 -2.505 10.915 -4.705 1.00 0.00 C ATOM 1174 O GLY A 74 -3.723 10.969 -4.551 1.00 0.00 O ATOM 0 H GLY A 74 0.431 11.510 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.161 10.041 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.133 11.348 -2.648 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.933 10.779 -5.883 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.714 10.587 -7.092 1.00 0.00 C ATOM 1180 C HIS A 75 -2.640 9.131 -7.526 1.00 0.00 C ATOM 1181 O HIS A 75 -1.563 8.635 -7.850 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.199 11.510 -8.208 1.00 0.00 C ATOM 1183 CG HIS A 75 -2.909 11.354 -9.523 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.068 12.028 -9.836 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.609 10.605 -10.612 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.451 11.699 -11.056 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.585 10.837 -11.549 1.00 0.00 N ATOM 0 H HIS A 75 -0.924 10.798 -6.032 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.755 10.841 -6.890 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.294 12.545 -7.879 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.136 11.319 -8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.759 9.947 -10.722 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.327 12.074 -11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.632 10.412 -12.475 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.776 8.444 -7.476 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.880 7.082 -7.991 1.00 0.00 C ATOM 1198 C VAL A 76 -3.297 6.979 -9.405 1.00 0.00 C ATOM 1199 O VAL A 76 -3.690 7.716 -10.311 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.351 6.599 -7.988 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.245 7.546 -8.778 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.452 5.181 -8.522 1.00 0.00 C ATOM 0 H VAL A 76 -4.643 8.810 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.300 6.438 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.702 6.599 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.271 7.180 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.205 8.540 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.899 7.597 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.494 4.861 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.073 5.149 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.861 4.513 -7.895 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.333 6.086 -9.574 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.670 5.910 -10.858 1.00 0.00 C ATOM 1214 C LEU A 77 -2.058 4.577 -11.482 1.00 0.00 C ATOM 1215 O LEU A 77 -2.392 4.498 -12.665 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.154 5.979 -10.667 1.00 0.00 C ATOM 1217 CG LEU A 77 0.351 7.260 -10.002 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.798 7.105 -9.564 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.202 8.441 -10.950 1.00 0.00 C ATOM 0 H LEU A 77 -1.992 5.470 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.986 6.708 -11.529 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.162 5.126 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.326 5.878 -11.641 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.253 7.449 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.137 8.028 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.876 6.284 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.420 6.891 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.565 9.346 -10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.782 8.257 -11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.848 8.567 -11.212 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.024 3.534 -10.669 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.344 2.191 -11.126 1.00 0.00 C ATOM 1233 C ALA A 78 -3.328 1.542 -10.176 1.00 0.00 C ATOM 1234 O ALA A 78 -3.312 1.835 -8.988 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.083 1.347 -11.220 1.00 0.00 C ATOM 0 H ALA A 78 -1.776 3.593 -9.681 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.794 2.259 -12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.341 0.345 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.390 1.805 -11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.613 1.284 -10.239 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.174 0.669 -10.697 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.126 -0.062 -9.879 1.00 0.00 C ATOM 1243 C VAL A 79 -5.165 -1.519 -10.310 1.00 0.00 C ATOM 1244 O VAL A 79 -5.367 -1.826 -11.485 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.551 0.540 -9.947 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.626 1.836 -9.157 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.985 0.774 -11.390 1.00 0.00 C ATOM 0 H VAL A 79 -4.220 0.448 -11.692 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.789 0.015 -8.845 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.236 -0.181 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.636 2.242 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.376 1.641 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.920 2.556 -9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.989 1.197 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.293 1.466 -11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.983 -0.174 -11.929 1.00 0.00 H new ATOM 1257 N THR A 80 -4.928 -2.414 -9.371 1.00 0.00 N ATOM 1258 CA THR A 80 -4.940 -3.833 -9.661 1.00 0.00 C ATOM 1259 C THR A 80 -5.511 -4.612 -8.486 1.00 0.00 C ATOM 1260 O THR A 80 -5.006 -4.519 -7.366 1.00 0.00 O ATOM 1261 CB THR A 80 -3.519 -4.346 -9.962 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.895 -3.510 -10.946 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.551 -5.784 -10.464 1.00 0.00 C ATOM 0 H THR A 80 -4.724 -2.182 -8.399 1.00 0.00 H new ATOM 0 HA THR A 80 -5.567 -3.985 -10.539 1.00 0.00 H new ATOM 0 HB THR A 80 -2.945 -4.314 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.712 -2.629 -10.558 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.535 -6.121 -10.669 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.999 -6.425 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.142 -5.837 -11.378 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.574 -5.359 -8.734 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.111 -6.247 -7.724 1.00 0.00 C ATOM 1273 C LEU A 81 -6.219 -7.473 -7.625 1.00 0.00 C ATOM 1274 O LEU A 81 -6.145 -8.284 -8.547 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.544 -6.659 -8.052 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.260 -7.403 -6.926 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.533 -6.468 -5.759 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.551 -8.023 -7.436 1.00 0.00 C ATOM 0 H LEU A 81 -7.077 -5.367 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.133 -5.724 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.117 -5.767 -8.303 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.533 -7.292 -8.940 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.612 -8.206 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.043 -7.015 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.590 -6.075 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.162 -5.643 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.049 -8.549 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.206 -7.239 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.325 -8.726 -8.238 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.541 -7.590 -6.503 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.499 -8.592 -6.331 1.00 0.00 C ATOM 1292 C VAL A 82 -5.097 -9.918 -5.888 1.00 0.00 C ATOM 1293 O VAL A 82 -4.665 -10.985 -6.319 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.469 -8.126 -5.287 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.060 -8.537 -5.686 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.556 -6.625 -5.094 1.00 0.00 C ATOM 0 H VAL A 82 -5.692 -6.999 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.003 -8.726 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.702 -8.612 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.353 -8.195 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.007 -9.623 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.809 -8.089 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.821 -6.310 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.354 -6.124 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.556 -6.360 -4.750 1.00 0.00 H new ATOM 1306 N SER A 83 -6.098 -9.839 -5.030 1.00 0.00 N ATOM 1307 CA SER A 83 -6.783 -11.022 -4.537 1.00 0.00 C ATOM 1308 C SER A 83 -8.242 -10.672 -4.272 1.00 0.00 C ATOM 1309 O SER A 83 -8.552 -9.527 -3.937 1.00 0.00 O ATOM 1310 CB SER A 83 -6.099 -11.524 -3.262 1.00 0.00 C ATOM 1311 OG SER A 83 -6.514 -12.841 -2.933 1.00 0.00 O ATOM 0 H SER A 83 -6.458 -8.960 -4.657 1.00 0.00 H new ATOM 0 HA SER A 83 -6.739 -11.819 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.017 -11.505 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.329 -10.852 -2.435 1.00 0.00 H new ATOM 0 HG SER A 83 -6.059 -13.133 -2.116 1.00 0.00 H new ATOM 1317 N SER A 84 -9.135 -11.639 -4.431 1.00 0.00 N ATOM 1318 CA SER A 84 -10.561 -11.377 -4.314 1.00 0.00 C ATOM 1319 C SER A 84 -11.304 -12.597 -3.786 1.00 0.00 C ATOM 1320 O SER A 84 -10.903 -13.739 -4.018 1.00 0.00 O ATOM 1321 CB SER A 84 -11.126 -10.969 -5.679 1.00 0.00 C ATOM 1322 OG SER A 84 -12.523 -10.726 -5.617 1.00 0.00 O ATOM 0 H SER A 84 -8.898 -12.609 -4.641 1.00 0.00 H new ATOM 0 HA SER A 84 -10.702 -10.563 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.616 -10.072 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.925 -11.756 -6.406 1.00 0.00 H new ATOM 0 HG SER A 84 -12.850 -10.467 -6.504 1.00 0.00 H new ATOM 1328 N ALA A 85 -12.384 -12.342 -3.063 1.00 0.00 N ATOM 1329 CA ALA A 85 -13.246 -13.405 -2.569 1.00 0.00 C ATOM 1330 C ALA A 85 -14.514 -13.502 -3.411 1.00 0.00 C ATOM 1331 O ALA A 85 -15.200 -14.524 -3.402 1.00 0.00 O ATOM 1332 CB ALA A 85 -13.601 -13.168 -1.111 1.00 0.00 C ATOM 0 H ALA A 85 -12.685 -11.403 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.705 -14.348 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.246 -13.973 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.690 -13.145 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.122 -12.216 -1.014 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.804 -12.441 -4.154 1.00 0.00 N ATOM 1339 CA GLY A 86 -16.020 -12.396 -4.942 1.00 0.00 C ATOM 1340 C GLY A 86 -16.907 -11.236 -4.547 1.00 0.00 C ATOM 1341 O GLY A 86 -17.860 -11.410 -3.791 1.00 0.00 O ATOM 0 H GLY A 86 -14.217 -11.610 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.765 -12.314 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.568 -13.330 -4.818 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.593 -10.044 -5.046 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.357 -8.849 -4.693 1.00 0.00 C ATOM 1347 C LEU A 87 -18.016 -8.263 -5.942 1.00 0.00 C ATOM 1348 O LEU A 87 -17.410 -7.456 -6.645 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.462 -7.774 -4.038 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.514 -8.230 -2.913 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.210 -9.199 -1.980 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.235 -8.837 -3.475 1.00 0.00 C ATOM 0 H LEU A 87 -15.821 -9.879 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 87 -18.119 -9.146 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.859 -7.315 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -17.110 -6.995 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.234 -7.347 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.520 -9.507 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.077 -8.714 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.534 -10.075 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.589 -9.148 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.483 -9.702 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.717 -8.096 -4.084 1.00 0.00 H new ATOM 1364 N PRO A 88 -19.256 -8.673 -6.250 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.977 -8.212 -7.442 1.00 0.00 C ATOM 1366 C PRO A 88 -20.581 -6.819 -7.260 1.00 0.00 C ATOM 1367 O PRO A 88 -20.013 -5.824 -7.710 1.00 0.00 O ATOM 1368 CB PRO A 88 -21.085 -9.264 -7.627 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.850 -10.303 -6.574 1.00 0.00 C ATOM 1370 CD PRO A 88 -20.055 -9.633 -5.488 1.00 0.00 C ATOM 0 HA PRO A 88 -19.315 -8.120 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.072 -8.814 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.043 -9.703 -8.624 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.795 -10.683 -6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.308 -11.155 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.696 -9.142 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.432 -10.341 -4.942 1.00 0.00 H new ATOM 1378 N SER A 89 -21.720 -6.748 -6.578 1.00 0.00 N ATOM 1379 CA SER A 89 -22.377 -5.474 -6.306 1.00 0.00 C ATOM 1380 C SER A 89 -21.575 -4.669 -5.290 1.00 0.00 C ATOM 1381 O SER A 89 -21.734 -3.456 -5.158 1.00 0.00 O ATOM 1382 CB SER A 89 -23.795 -5.717 -5.787 1.00 0.00 C ATOM 1383 OG SER A 89 -23.782 -6.570 -4.656 1.00 0.00 O ATOM 0 H SER A 89 -22.209 -7.561 -6.202 1.00 0.00 H new ATOM 0 HA SER A 89 -22.433 -4.904 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 89 -24.258 -4.766 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.403 -6.161 -6.575 1.00 0.00 H new ATOM 0 HG SER A 89 -24.699 -6.709 -4.341 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.711 -5.369 -4.577 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.928 -4.784 -3.506 1.00 0.00 C ATOM 1391 C LEU A 90 -18.810 -3.913 -4.057 1.00 0.00 C ATOM 1392 O LEU A 90 -18.546 -2.825 -3.540 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.325 -5.899 -2.654 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.308 -6.966 -2.188 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.543 -8.175 -1.683 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -21.220 -6.405 -1.108 1.00 0.00 C ATOM 0 H LEU A 90 -20.533 -6.362 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.585 -4.159 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.533 -6.383 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.857 -5.451 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.933 -7.275 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.247 -8.938 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.926 -8.577 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.906 -7.880 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.918 -7.177 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.620 -6.078 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.777 -5.557 -1.507 1.00 0.00 H new ATOM 1408 N ASP A 91 -18.189 -4.391 -5.135 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.968 -3.793 -5.680 1.00 0.00 C ATOM 1410 C ASP A 91 -17.146 -2.310 -5.969 1.00 0.00 C ATOM 1411 O ASP A 91 -16.290 -1.502 -5.628 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.560 -4.519 -6.965 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.159 -4.169 -7.434 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.200 -4.841 -6.998 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -15.012 -3.247 -8.262 1.00 0.00 O1- ATOM 0 H ASP A 91 -18.517 -5.204 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 91 -16.186 -3.899 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.623 -5.595 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.271 -4.274 -7.754 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.282 -1.955 -6.554 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.507 -0.591 -7.023 1.00 0.00 C ATOM 1422 C ARG A 92 -18.279 0.455 -5.926 1.00 0.00 C ATOM 1423 O ARG A 92 -17.519 1.396 -6.127 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.912 -0.450 -7.621 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.038 -0.836 -6.673 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.351 -1.034 -7.412 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.264 -2.126 -8.380 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.238 -3.009 -8.592 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.391 -2.909 -7.937 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.060 -3.990 -9.464 1.00 0.00 N ATOM 0 H ARG A 92 -19.063 -2.591 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.769 -0.398 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.057 0.583 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.977 -1.070 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.774 -1.754 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.159 -0.060 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.145 -1.245 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.623 -0.112 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.407 -2.217 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.533 -2.153 -7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.133 -3.589 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.178 -4.068 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.804 -4.668 -9.628 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.917 0.294 -4.770 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.813 1.296 -3.715 1.00 0.00 C ATOM 1446 C GLU A 93 -17.493 1.186 -2.952 1.00 0.00 C ATOM 1447 O GLU A 93 -16.811 2.186 -2.741 1.00 0.00 O ATOM 1448 CB GLU A 93 -19.990 1.218 -2.746 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.182 2.506 -1.959 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.294 2.417 -0.941 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.446 2.113 -1.330 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -21.023 2.636 0.258 1.00 0.00 O ATOM 0 H GLU A 93 -19.503 -0.509 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.838 2.268 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.901 0.997 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.832 0.392 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.251 2.756 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.396 3.320 -2.652 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.129 -0.028 -2.539 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.929 -0.228 -1.730 1.00 0.00 C ATOM 1461 C ILE A 94 -14.671 0.177 -2.491 1.00 0.00 C ATOM 1462 O ILE A 94 -13.738 0.731 -1.911 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.791 -1.687 -1.231 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.645 -2.669 -2.399 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.989 -2.056 -0.370 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.401 -4.100 -1.964 1.00 0.00 C ATOM 0 H ILE A 94 -17.645 -0.882 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.040 0.417 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.884 -1.756 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.548 -2.633 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.820 -2.346 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.885 -3.084 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.040 -1.386 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.902 -1.963 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.308 -4.737 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.482 -4.151 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.237 -4.443 -1.355 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.646 -0.086 -3.790 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.524 0.307 -4.605 1.00 0.00 C ATOM 1480 C GLN A 95 -13.652 1.761 -5.027 1.00 0.00 C ATOM 1481 O GLN A 95 -12.675 2.413 -5.332 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.415 -0.569 -5.831 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.312 -2.055 -5.522 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.066 -2.422 -4.746 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.033 -1.765 -4.851 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.154 -3.493 -3.978 1.00 0.00 N ATOM 0 H GLN A 95 -15.391 -0.568 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.621 0.188 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.286 -0.400 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.539 -0.266 -6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.189 -2.362 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.327 -2.615 -6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.032 -4.009 -3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.344 -3.804 -3.442 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.858 2.272 -5.089 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.019 3.708 -5.241 1.00 0.00 C ATOM 1497 C ALA A 96 -14.300 4.389 -4.088 1.00 0.00 C ATOM 1498 O ALA A 96 -13.517 5.314 -4.278 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.486 4.109 -5.272 1.00 0.00 C ATOM 0 H ALA A 96 -15.725 1.737 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.589 4.020 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.565 5.190 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.980 3.618 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.966 3.807 -4.341 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.527 3.857 -2.902 1.00 0.00 N ATOM 1506 CA LEU A 97 -13.951 4.355 -1.698 1.00 0.00 C ATOM 1507 C LEU A 97 -12.424 4.202 -1.685 1.00 0.00 C ATOM 1508 O LEU A 97 -11.705 5.178 -1.534 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.576 3.565 -0.557 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.134 4.007 0.802 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.310 4.553 1.595 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.448 2.876 1.542 1.00 0.00 C ATOM 0 H LEU A 97 -15.133 3.049 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.149 5.422 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.661 3.651 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.332 2.510 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.408 4.811 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.969 4.869 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.739 5.406 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.067 3.776 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.136 3.222 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.140 2.041 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.574 2.550 0.978 1.00 0.00 H new ATOM 1524 N VAL A 98 -11.938 2.979 -1.853 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.493 2.716 -1.808 1.00 0.00 C ATOM 1526 C VAL A 98 -9.811 2.849 -3.178 1.00 0.00 C ATOM 1527 O VAL A 98 -8.811 3.553 -3.312 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.198 1.309 -1.247 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.700 1.033 -1.249 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -10.763 1.160 0.158 1.00 0.00 C ATOM 0 H VAL A 98 -12.513 2.154 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.082 3.479 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.685 0.578 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.513 0.036 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.320 1.092 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.193 1.773 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.544 0.161 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.308 1.903 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.842 1.310 0.134 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.366 2.188 -4.188 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.735 2.108 -5.509 1.00 0.00 C ATOM 1542 C LYS A 99 -9.769 3.462 -6.228 1.00 0.00 C ATOM 1543 O LYS A 99 -8.910 3.751 -7.063 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.417 1.017 -6.370 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.760 0.789 -7.726 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.647 -0.031 -8.658 1.00 0.00 C ATOM 1547 CE LYS A 99 -11.000 -1.389 -8.068 1.00 0.00 C ATOM 1548 NZ LYS A 99 -12.025 -2.100 -8.883 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.257 1.696 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.690 1.835 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.415 0.079 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.460 1.293 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.539 1.751 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.808 0.276 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.563 0.522 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.137 -0.172 -9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.100 -2.001 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.372 -1.258 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.238 -3.020 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.893 -1.528 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.661 -2.248 -9.846 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.758 4.302 -5.917 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.800 5.629 -6.503 1.00 0.00 C ATOM 1564 C ARG A 100 -10.007 6.601 -5.642 1.00 0.00 C ATOM 1565 O ARG A 100 -9.262 7.434 -6.156 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.240 6.114 -6.682 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.343 7.516 -7.257 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.662 7.601 -8.608 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.617 8.965 -9.123 1.00 0.00 N ATOM 1570 CZ ARG A 100 -10.561 9.477 -9.745 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.455 8.755 -9.884 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -10.602 10.708 -10.234 1.00 0.00 N ATOM 0 H ARG A 100 -11.522 4.088 -5.276 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.346 5.581 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.769 5.422 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.746 6.088 -5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.392 7.796 -7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.887 8.229 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.647 7.213 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -12.189 6.964 -9.318 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.439 9.556 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.416 7.806 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.645 9.150 -10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.448 11.269 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.787 11.095 -10.710 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.156 6.485 -4.332 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.420 7.340 -3.421 1.00 0.00 C ATOM 1588 C ALA A 101 -8.112 6.698 -3.009 1.00 0.00 C ATOM 1589 O ALA A 101 -8.005 6.146 -1.912 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.236 7.667 -2.182 1.00 0.00 C ATOM 0 H ALA A 101 -10.775 5.812 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.210 8.267 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.653 8.309 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.151 8.182 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.490 6.745 -1.660 1.00 0.00 H new ATOM 1596 N SER A 102 -7.113 6.751 -3.876 1.00 0.00 N ATOM 1597 CA SER A 102 -5.799 6.312 -3.470 1.00 0.00 C ATOM 1598 C SER A 102 -4.840 7.502 -3.395 1.00 0.00 C ATOM 1599 O SER A 102 -4.185 7.872 -4.370 1.00 0.00 O ATOM 1600 CB SER A 102 -5.286 5.246 -4.438 1.00 0.00 C ATOM 1601 OG SER A 102 -6.231 4.196 -4.586 1.00 0.00 O ATOM 0 H SER A 102 -7.187 7.084 -4.837 1.00 0.00 H new ATOM 0 HA SER A 102 -5.859 5.870 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.084 5.698 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.342 4.842 -4.072 1.00 0.00 H new ATOM 0 HG SER A 102 -5.785 3.334 -4.452 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.779 8.115 -2.203 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.832 9.148 -1.822 1.00 0.00 C ATOM 1609 C PRO A 103 -2.752 8.598 -0.893 1.00 0.00 C ATOM 1610 O PRO A 103 -2.740 7.406 -0.577 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.735 10.138 -1.050 1.00 0.00 C ATOM 1612 CG PRO A 103 -6.040 9.410 -0.848 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.749 7.968 -1.138 1.00 0.00 C ATOM 0 HA PRO A 103 -3.301 9.581 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.288 10.416 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.881 11.059 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.406 9.538 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.811 9.796 -1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.342 7.443 -0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.636 7.420 -1.455 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.833 9.451 -0.480 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.893 9.098 0.570 1.00 0.00 C ATOM 1623 C LEU A 104 -0.750 10.257 1.546 1.00 0.00 C ATOM 1624 O LEU A 104 -0.530 11.398 1.141 1.00 0.00 O ATOM 1625 CB LEU A 104 0.457 8.676 -0.017 1.00 0.00 C ATOM 1626 CG LEU A 104 0.462 7.252 -0.578 1.00 0.00 C ATOM 1627 CD1 LEU A 104 1.788 6.923 -1.236 1.00 0.00 C ATOM 1628 CD2 LEU A 104 0.154 6.249 0.525 1.00 0.00 C ATOM 0 H LEU A 104 -1.717 10.393 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.280 8.239 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.732 9.371 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.221 8.756 0.756 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.314 7.189 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.759 5.905 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.970 7.619 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.589 7.009 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.161 5.240 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.909 6.326 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.828 6.462 0.946 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.921 9.977 2.852 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.898 11.011 3.888 1.00 0.00 C ATOM 1642 C PRO A 105 0.513 11.499 4.168 1.00 0.00 C ATOM 1643 O PRO A 105 0.724 12.607 4.661 1.00 0.00 O ATOM 1644 CB PRO A 105 -1.470 10.300 5.110 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.169 8.855 4.898 1.00 0.00 C ATOM 1646 CD PRO A 105 -1.132 8.627 3.415 1.00 0.00 C ATOM 0 HA PRO A 105 -1.459 11.899 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.013 10.667 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.543 10.470 5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.215 8.589 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.930 8.230 5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.327 7.947 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.061 8.185 3.056 1.00 0.00 H new ATOM 1654 N THR A 106 1.466 10.645 3.865 1.00 0.00 N ATOM 1655 CA THR A 106 2.863 10.986 3.953 1.00 0.00 C ATOM 1656 C THR A 106 3.566 10.539 2.680 1.00 0.00 C ATOM 1657 O THR A 106 3.571 9.350 2.352 1.00 0.00 O ATOM 1658 CB THR A 106 3.527 10.350 5.199 1.00 0.00 C ATOM 1659 OG1 THR A 106 4.940 10.587 5.192 1.00 0.00 O ATOM 1660 CG2 THR A 106 3.252 8.853 5.285 1.00 0.00 C ATOM 0 H THR A 106 1.290 9.691 3.550 1.00 0.00 H new ATOM 0 HA THR A 106 2.953 12.067 4.060 1.00 0.00 H new ATOM 0 HB THR A 106 3.087 10.823 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.344 10.180 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.735 8.445 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.177 8.683 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.647 8.359 4.397 1.00 0.00 H new ATOM 1668 N PRO A 107 4.101 11.499 1.914 1.00 0.00 N ATOM 1669 CA PRO A 107 4.824 11.216 0.671 1.00 0.00 C ATOM 1670 C PRO A 107 6.010 10.285 0.907 1.00 0.00 C ATOM 1671 O PRO A 107 7.006 10.684 1.514 1.00 0.00 O ATOM 1672 CB PRO A 107 5.308 12.598 0.214 1.00 0.00 C ATOM 1673 CG PRO A 107 4.389 13.562 0.877 1.00 0.00 C ATOM 1674 CD PRO A 107 4.034 12.944 2.197 1.00 0.00 C ATOM 0 HA PRO A 107 4.198 10.711 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.343 12.772 0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.265 12.693 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.871 14.530 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.498 13.732 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.734 13.235 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.040 13.245 2.530 1.00 0.00 H new ATOM 1682 N PRO A 108 5.915 9.024 0.446 1.00 0.00 N ATOM 1683 CA PRO A 108 6.994 8.047 0.590 1.00 0.00 C ATOM 1684 C PRO A 108 8.124 8.314 -0.391 1.00 0.00 C ATOM 1685 O PRO A 108 8.383 7.517 -1.295 1.00 0.00 O ATOM 1686 CB PRO A 108 6.306 6.718 0.279 1.00 0.00 C ATOM 1687 CG PRO A 108 5.227 7.084 -0.676 1.00 0.00 C ATOM 1688 CD PRO A 108 4.743 8.445 -0.242 1.00 0.00 C ATOM 0 HA PRO A 108 7.457 8.074 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.001 6.002 -0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.901 6.258 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.602 7.110 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.418 6.354 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.437 9.053 -1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.883 8.372 0.423 1.00 0.00 H new ATOM 1696 N ALA A 109 8.783 9.453 -0.214 1.00 0.00 N ATOM 1697 CA ALA A 109 9.894 9.833 -1.066 1.00 0.00 C ATOM 1698 C ALA A 109 10.962 8.759 -1.027 1.00 0.00 C ATOM 1699 O ALA A 109 11.479 8.347 -2.062 1.00 0.00 O ATOM 1700 CB ALA A 109 10.465 11.175 -0.635 1.00 0.00 C ATOM 0 H ALA A 109 8.563 10.130 0.517 1.00 0.00 H new ATOM 0 HA ALA A 109 9.535 9.934 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.297 11.442 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.691 11.939 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.817 11.107 0.394 1.00 0.00 H new ATOM 1706 N ASP A 110 11.214 8.249 0.171 1.00 0.00 N ATOM 1707 CA ASP A 110 12.257 7.257 0.388 1.00 0.00 C ATOM 1708 C ASP A 110 11.880 5.904 -0.215 1.00 0.00 C ATOM 1709 O ASP A 110 12.623 4.929 -0.093 1.00 0.00 O ATOM 1710 CB ASP A 110 12.532 7.103 1.886 1.00 0.00 C ATOM 1711 CG ASP A 110 12.977 8.401 2.530 1.00 0.00 C ATOM 1712 OD1 ASP A 110 14.186 8.711 2.474 1.00 0.00 O ATOM 1713 OD2 ASP A 110 12.117 9.123 3.086 1.00 0.00 O1- ATOM 0 H ASP A 110 10.704 8.510 1.015 1.00 0.00 H new ATOM 0 HA ASP A 110 13.159 7.607 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.630 6.745 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.301 6.345 2.035 1.00 0.00 H new ATOM 1718 N ALA A 111 10.724 5.850 -0.864 1.00 0.00 N ATOM 1719 CA ALA A 111 10.272 4.632 -1.512 1.00 0.00 C ATOM 1720 C ALA A 111 10.233 4.787 -3.030 1.00 0.00 C ATOM 1721 O ALA A 111 10.513 3.840 -3.757 1.00 0.00 O ATOM 1722 CB ALA A 111 8.900 4.226 -0.996 1.00 0.00 C ATOM 0 H ALA A 111 10.083 6.639 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 111 10.989 3.848 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.580 3.311 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 111 8.952 4.054 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.184 5.021 -1.202 1.00 0.00 H new ATOM 1728 N TYR A 112 9.896 5.979 -3.517 1.00 0.00 N ATOM 1729 CA TYR A 112 9.713 6.158 -4.953 1.00 0.00 C ATOM 1730 C TYR A 112 10.717 7.093 -5.578 1.00 0.00 C ATOM 1731 O TYR A 112 10.504 7.584 -6.684 1.00 0.00 O ATOM 1732 CB TYR A 112 8.295 6.556 -5.339 1.00 0.00 C ATOM 1733 CG TYR A 112 7.677 7.708 -4.594 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.379 8.865 -4.293 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.355 7.620 -4.199 1.00 0.00 C ATOM 1736 CE1 TYR A 112 7.772 9.901 -3.614 1.00 0.00 C ATOM 1737 CE2 TYR A 112 5.741 8.642 -3.524 1.00 0.00 C ATOM 1738 CZ TYR A 112 6.452 9.783 -3.229 1.00 0.00 C ATOM 1739 OH TYR A 112 5.849 10.804 -2.540 1.00 0.00 O ATOM 0 H TYR A 112 9.747 6.816 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 112 9.896 5.166 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.290 6.799 -6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.652 5.685 -5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.412 8.956 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.794 6.726 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.326 10.799 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.707 8.553 -3.226 1.00 0.00 H new ATOM 0 HH TYR A 112 6.478 11.174 -1.886 1.00 0.00 H new ATOM 1749 N VAL A 113 11.796 7.351 -4.878 1.00 0.00 N ATOM 1750 CA VAL A 113 12.914 8.046 -5.503 1.00 0.00 C ATOM 1751 C VAL A 113 13.576 7.086 -6.485 1.00 0.00 C ATOM 1752 O VAL A 113 14.529 6.375 -6.159 1.00 0.00 O ATOM 1753 CB VAL A 113 13.957 8.572 -4.482 1.00 0.00 C ATOM 1754 CG1 VAL A 113 13.470 9.865 -3.847 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.259 7.533 -3.407 1.00 0.00 C ATOM 0 H VAL A 113 11.931 7.101 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 113 12.524 8.928 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 113 14.882 8.770 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.212 10.222 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.321 10.617 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 113 12.527 9.684 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 113 14.993 7.935 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.343 7.289 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.657 6.632 -3.874 1.00 0.00 H new ATOM 1765 N ASN A 114 13.042 7.115 -7.701 1.00 0.00 N ATOM 1766 CA ASN A 114 13.328 6.144 -8.752 1.00 0.00 C ATOM 1767 C ASN A 114 12.190 6.215 -9.759 1.00 0.00 C ATOM 1768 O ASN A 114 12.370 5.984 -10.953 1.00 0.00 O ATOM 1769 CB ASN A 114 13.429 4.699 -8.207 1.00 0.00 C ATOM 1770 CG ASN A 114 12.074 4.014 -8.031 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.573 3.355 -8.946 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.468 4.152 -6.858 1.00 0.00 N ATOM 0 H ASN A 114 12.380 7.834 -7.991 1.00 0.00 H new ATOM 0 HA ASN A 114 14.291 6.387 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.041 4.106 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.945 4.717 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.565 3.707 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.906 4.703 -6.119 1.00 0.00 H new ATOM 1779 N GLY A 115 11.012 6.563 -9.248 1.00 0.00 N ATOM 1780 CA GLY A 115 9.826 6.620 -10.068 1.00 0.00 C ATOM 1781 C GLY A 115 8.556 6.711 -9.241 1.00 0.00 C ATOM 1782 O GLY A 115 8.058 7.805 -8.979 1.00 0.00 O ATOM 0 H GLY A 115 10.863 6.808 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.887 7.483 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.782 5.734 -10.701 1.00 0.00 H new ATOM 1786 N THR A 116 8.048 5.562 -8.801 1.00 0.00 N ATOM 1787 CA THR A 116 6.742 5.489 -8.162 1.00 0.00 C ATOM 1788 C THR A 116 6.675 4.359 -7.129 1.00 0.00 C ATOM 1789 O THR A 116 7.566 3.516 -7.068 1.00 0.00 O ATOM 1790 CB THR A 116 5.659 5.258 -9.228 1.00 0.00 C ATOM 1791 OG1 THR A 116 6.169 4.406 -10.269 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.187 6.570 -9.828 1.00 0.00 C ATOM 0 H THR A 116 8.527 4.665 -8.877 1.00 0.00 H new ATOM 0 HA THR A 116 6.574 6.434 -7.645 1.00 0.00 H new ATOM 0 HB THR A 116 4.808 4.778 -8.744 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.473 4.262 -10.944 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.421 6.372 -10.578 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.771 7.201 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.029 7.080 -10.295 1.00 0.00 H new ATOM 1800 N VAL A 117 5.625 4.363 -6.304 1.00 0.00 N ATOM 1801 CA VAL A 117 5.396 3.284 -5.344 1.00 0.00 C ATOM 1802 C VAL A 117 4.223 2.412 -5.772 1.00 0.00 C ATOM 1803 O VAL A 117 3.116 2.899 -5.970 1.00 0.00 O ATOM 1804 CB VAL A 117 5.114 3.795 -3.905 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.336 4.452 -3.305 1.00 0.00 C ATOM 1806 CG2 VAL A 117 3.929 4.756 -3.865 1.00 0.00 C ATOM 0 H VAL A 117 4.921 5.101 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 117 6.322 2.709 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 117 4.860 2.920 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.105 4.799 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.153 3.731 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.633 5.300 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.766 5.090 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.138 5.618 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.036 4.247 -4.228 1.00 0.00 H new ATOM 1816 N GLU A 118 4.477 1.127 -5.934 1.00 0.00 N ATOM 1817 CA GLU A 118 3.415 0.161 -6.152 1.00 0.00 C ATOM 1818 C GLU A 118 3.331 -0.762 -4.945 1.00 0.00 C ATOM 1819 O GLU A 118 4.303 -1.431 -4.599 1.00 0.00 O ATOM 1820 CB GLU A 118 3.652 -0.645 -7.435 1.00 0.00 C ATOM 1821 CG GLU A 118 5.061 -1.189 -7.567 1.00 0.00 C ATOM 1822 CD GLU A 118 5.196 -2.226 -8.666 1.00 0.00 C ATOM 1823 OE1 GLU A 118 4.778 -3.384 -8.452 1.00 0.00 O ATOM 1824 OE2 GLU A 118 5.734 -1.894 -9.743 1.00 0.00 O1- ATOM 0 H GLU A 118 5.415 0.726 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 118 2.471 0.692 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.948 -1.476 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.435 -0.012 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.745 -0.365 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.364 -1.632 -6.618 1.00 0.00 H new ATOM 1831 N LEU A 119 2.186 -0.780 -4.289 1.00 0.00 N ATOM 1832 CA LEU A 119 2.039 -1.551 -3.066 1.00 0.00 C ATOM 1833 C LEU A 119 0.684 -2.239 -2.997 1.00 0.00 C ATOM 1834 O LEU A 119 -0.329 -1.693 -3.443 1.00 0.00 O ATOM 1835 CB LEU A 119 2.231 -0.644 -1.850 1.00 0.00 C ATOM 1836 CG LEU A 119 1.347 0.604 -1.824 1.00 0.00 C ATOM 1837 CD1 LEU A 119 0.591 0.682 -0.521 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.183 1.857 -2.030 1.00 0.00 C ATOM 0 H LEU A 119 1.349 -0.274 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 119 2.805 -2.326 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.038 -1.226 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.275 -0.332 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 119 0.628 0.535 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.034 1.575 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.038 -0.202 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.298 0.729 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.536 2.734 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.925 1.934 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.688 1.803 -2.994 1.00 0.00 H new ATOM 1850 N THR A 120 0.686 -3.443 -2.448 1.00 0.00 N ATOM 1851 CA THR A 120 -0.528 -4.216 -2.263 1.00 0.00 C ATOM 1852 C THR A 120 -1.075 -4.038 -0.851 1.00 0.00 C ATOM 1853 O THR A 120 -0.421 -4.410 0.126 1.00 0.00 O ATOM 1854 CB THR A 120 -0.266 -5.715 -2.505 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.179 -5.926 -3.852 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.519 -6.533 -2.229 1.00 0.00 C ATOM 0 H THR A 120 1.530 -3.911 -2.118 1.00 0.00 H new ATOM 0 HA THR A 120 -1.258 -3.852 -2.986 1.00 0.00 H new ATOM 0 HB THR A 120 0.514 -6.044 -1.819 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.345 -6.881 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.311 -7.588 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.824 -6.392 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.321 -6.205 -2.891 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.263 -3.464 -0.744 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.916 -3.317 0.546 1.00 0.00 C ATOM 1866 C LEU A 121 -4.241 -4.060 0.553 1.00 0.00 C ATOM 1867 O LEU A 121 -5.103 -3.810 -0.285 1.00 0.00 O ATOM 1868 CB LEU A 121 -3.155 -1.843 0.873 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.905 -0.968 0.857 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -2.243 0.447 1.284 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.832 -1.556 1.759 1.00 0.00 C ATOM 0 H LEU A 121 -2.793 -3.093 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.259 -3.741 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.872 -1.439 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.615 -1.775 1.859 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.518 -0.937 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.340 1.058 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.979 0.868 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.653 0.434 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.052 -0.919 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.208 -1.617 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.569 -2.554 1.409 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.421 -4.998 1.488 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.675 -5.723 1.623 1.00 0.00 C ATOM 1885 C PRO A 122 -6.766 -4.842 2.220 1.00 0.00 C ATOM 1886 O PRO A 122 -6.622 -4.325 3.329 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.337 -6.883 2.575 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.852 -6.852 2.746 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.428 -5.438 2.473 1.00 0.00 C ATOM 0 HA PRO A 122 -6.059 -6.061 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.843 -6.763 3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.663 -7.837 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.570 -7.155 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.366 -7.544 2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.451 -4.826 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.413 -5.387 2.078 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.848 -4.669 1.480 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.982 -3.915 1.974 1.00 0.00 C ATOM 1899 C ILE A 123 -10.067 -4.903 2.404 1.00 0.00 C ATOM 1900 O ILE A 123 -10.542 -5.713 1.603 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.531 -2.904 0.916 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.257 -3.604 -0.231 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.396 -2.060 0.337 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.998 -2.647 -1.136 1.00 0.00 C ATOM 0 H ILE A 123 -7.963 -5.041 0.537 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.661 -3.315 2.825 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.244 -2.266 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.534 -4.166 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.963 -4.326 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.799 -1.363 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.912 -1.503 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.667 -2.712 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.492 -3.206 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.744 -2.103 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.293 -1.941 -1.574 1.00 0.00 H new ATOM 1916 N ASP A 124 -10.418 -4.902 3.679 1.00 0.00 N ATOM 1917 CA ASP A 124 -11.375 -5.885 4.161 1.00 0.00 C ATOM 1918 C ASP A 124 -12.628 -5.243 4.741 1.00 0.00 C ATOM 1919 O ASP A 124 -12.578 -4.396 5.634 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.730 -6.818 5.197 1.00 0.00 C ATOM 1921 CG ASP A 124 -10.196 -6.093 6.420 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -9.057 -5.584 6.368 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -10.898 -6.057 7.455 1.00 0.00 O1- ATOM 0 H ASP A 124 -10.067 -4.252 4.382 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.680 -6.472 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -11.465 -7.557 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.914 -7.364 4.724 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.749 -5.642 4.173 1.00 0.00 N ATOM 1929 CA PHE A 125 -15.060 -5.391 4.730 1.00 0.00 C ATOM 1930 C PHE A 125 -15.671 -6.737 5.094 1.00 0.00 C ATOM 1931 O PHE A 125 -15.630 -7.660 4.283 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.930 -4.643 3.718 1.00 0.00 C ATOM 1933 CG PHE A 125 -15.372 -3.310 3.307 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.518 -3.210 2.219 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.699 -2.159 4.004 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -14.002 -1.988 1.834 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -15.186 -0.933 3.621 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.337 -0.848 2.536 1.00 0.00 C ATOM 0 H PHE A 125 -13.773 -6.160 3.294 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.990 -4.765 5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -16.054 -5.264 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.922 -4.495 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.253 -4.099 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.361 -2.219 4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.337 -1.925 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.450 -0.042 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.936 0.109 2.237 1.00 0.00 H new ATOM 1948 N SER A 126 -16.233 -6.852 6.289 1.00 0.00 N ATOM 1949 CA SER A 126 -16.684 -8.143 6.808 1.00 0.00 C ATOM 1950 C SER A 126 -17.707 -8.807 5.882 1.00 0.00 C ATOM 1951 O SER A 126 -18.878 -8.427 5.853 1.00 0.00 O ATOM 1952 CB SER A 126 -17.293 -7.947 8.192 1.00 0.00 C ATOM 1953 OG SER A 126 -16.461 -7.132 8.999 1.00 0.00 O ATOM 0 H SER A 126 -16.389 -6.067 6.921 1.00 0.00 H new ATOM 0 HA SER A 126 -15.818 -8.802 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 126 -18.278 -7.489 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 126 -17.436 -8.915 8.671 1.00 0.00 H new ATOM 0 HG SER A 126 -16.684 -7.271 9.943 1.00 0.00 H new ATOM 1959 N LEU A 127 -17.243 -9.809 5.141 1.00 0.00 N ATOM 1960 CA LEU A 127 -18.087 -10.564 4.224 1.00 0.00 C ATOM 1961 C LEU A 127 -18.831 -11.672 4.949 1.00 0.00 C ATOM 1962 O LEU A 127 -18.250 -12.699 5.294 1.00 0.00 O ATOM 1963 CB LEU A 127 -17.242 -11.176 3.102 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.068 -10.307 1.859 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.133 -10.980 0.873 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.410 -10.050 1.199 1.00 0.00 C ATOM 0 H LEU A 127 -16.272 -10.119 5.160 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.814 -9.871 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.255 -11.410 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.697 -12.120 2.803 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.637 -9.354 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.018 -10.349 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.160 -11.132 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -16.548 -11.944 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.268 -9.429 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.860 -10.999 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.068 -9.537 1.900 1.00 0.00 H new ATOM 1978 N ARG A 128 -20.113 -11.456 5.190 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.956 -12.476 5.792 1.00 0.00 C ATOM 1980 C ARG A 128 -22.393 -12.327 5.307 1.00 0.00 C ATOM 1981 O ARG A 128 -23.344 -12.673 6.007 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.856 -12.416 7.327 1.00 0.00 C ATOM 1983 CG ARG A 128 -21.017 -11.023 7.930 1.00 0.00 C ATOM 1984 CD ARG A 128 -22.473 -10.607 8.053 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.604 -9.241 8.550 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.695 -8.496 8.403 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -24.782 -9.000 7.837 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -23.709 -7.249 8.850 1.00 0.00 N ATOM 0 H ARG A 128 -20.594 -10.582 4.978 1.00 0.00 H new ATOM 0 HA ARG A 128 -20.606 -13.460 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.618 -13.070 7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.888 -12.817 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.552 -11.001 8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.487 -10.299 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -22.958 -10.688 7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.991 -11.290 8.726 1.00 0.00 H new ATOM 0 HE ARG A 128 -21.809 -8.832 9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -24.786 -9.966 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -25.615 -8.422 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -22.883 -6.862 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -24.546 -6.676 8.738 1.00 0.00 H new ATOM 2002 N GLY A 129 -22.537 -11.807 4.095 1.00 0.00 N ATOM 2003 CA GLY A 129 -23.852 -11.603 3.529 1.00 0.00 C ATOM 2004 C GLY A 129 -23.859 -11.733 2.017 1.00 0.00 C ATOM 2005 O GLY A 129 -24.259 -12.764 1.475 1.00 0.00 O ATOM 0 H GLY A 129 -21.763 -11.523 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -24.545 -12.328 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -24.215 -10.613 3.807 1.00 0.00 H new ATOM 2009 N ALA A 130 -23.395 -10.698 1.330 1.00 0.00 N ATOM 2010 CA ALA A 130 -23.423 -10.676 -0.129 1.00 0.00 C ATOM 2011 C ALA A 130 -22.072 -11.072 -0.709 1.00 0.00 C ATOM 2012 O ALA A 130 -21.644 -10.555 -1.738 1.00 0.00 O ATOM 2013 CB ALA A 130 -23.844 -9.302 -0.633 1.00 0.00 C ATOM 0 H ALA A 130 -22.995 -9.863 1.757 1.00 0.00 H new ATOM 0 HA ALA A 130 -24.158 -11.408 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -23.860 -9.303 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -24.839 -9.065 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -23.135 -8.552 -0.281 1.00 0.00 H new ATOM 2019 N GLY A 131 -21.417 -12.005 -0.044 1.00 0.00 N ATOM 2020 CA GLY A 131 -20.122 -12.464 -0.487 1.00 0.00 C ATOM 2021 C GLY A 131 -19.548 -13.491 0.457 1.00 0.00 C ATOM 2022 O GLY A 131 -19.203 -13.177 1.597 1.00 0.00 O ATOM 0 H GLY A 131 -21.763 -12.457 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -20.209 -12.894 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -19.441 -11.617 -0.563 1.00 0.00 H new ATOM 2026 N PHE A 132 -19.494 -14.727 0.008 1.00 0.00 N ATOM 2027 CA PHE A 132 -18.936 -15.794 0.794 1.00 0.00 C ATOM 2028 C PHE A 132 -17.728 -16.394 0.092 1.00 0.00 C ATOM 2029 O PHE A 132 -16.601 -15.918 0.328 1.00 0.00 O ATOM 2030 CB PHE A 132 -19.999 -16.858 1.028 1.00 0.00 C ATOM 2031 CG PHE A 132 -21.103 -16.418 1.948 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -20.890 -16.320 3.314 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -22.354 -16.099 1.446 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -21.905 -15.914 4.159 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -23.371 -15.692 2.287 1.00 0.00 C ATOM 2036 CZ PHE A 132 -23.145 -15.601 3.645 1.00 0.00 C ATOM 2037 OXT PHE A 132 -17.907 -17.345 -0.697 1.00 0.00 O ATOM 0 H PHE A 132 -19.836 -15.014 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 132 -18.608 -15.399 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -20.430 -17.145 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -19.525 -17.747 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -19.920 -16.564 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -22.536 -16.169 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -21.727 -15.842 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -24.341 -15.445 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 132 -23.939 -15.285 4.305 1.00 0.00 H new TER 2047 PHE A 132