USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -8.38! C(o=-8.4!,f=-21!) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc=-0.00667 F(o=-9.8,f=-8.4) USER MOD Single : A 1 GLU N :NH3+ -152:sc= 0.0353 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 37:sc= 0.471 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0956 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.253 F(o=-1.2,f=-0.25) USER MOD Single : A 30 SER OG : rot -66:sc= 0.762 USER MOD Single : A 31 THR OG1 : rot 176:sc= -2.23! USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0742 F(o=-0.89,f=-0.074) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 109:sc= -2.76! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -57:sc= -0.832 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0223 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -80:sc= 0.376 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.97! C(o=-7!,f=-7!) USER MOD Single : A 61 TYR OH : rot 180:sc= -5.4! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= -1.17 (180deg=-2.06) USER MOD Single : A 70 TYR OH : rot 55:sc= -5.8! USER MOD Single : A 71 THR OG1 : rot 109:sc= 0.846 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -38.661 -34.048 -2.132 1.00 0.00 N ATOM 2 CA GLU A 1 -37.384 -34.784 -1.907 1.00 0.00 C ATOM 3 C GLU A 1 -36.603 -34.124 -0.768 1.00 0.00 C ATOM 4 O GLU A 1 -37.133 -33.326 -0.020 1.00 0.00 O ATOM 5 CB GLU A 1 -36.541 -34.757 -3.183 1.00 0.00 C ATOM 6 CG GLU A 1 -36.184 -36.189 -3.584 1.00 0.00 C ATOM 7 CD GLU A 1 -34.768 -36.225 -4.159 1.00 0.00 C ATOM 8 OE1 GLU A 1 -34.520 -35.510 -5.116 1.00 0.00 O ATOM 9 OE2 GLU A 1 -33.954 -36.965 -3.632 1.00 0.00 O ATOM 0 H1 GLU A 1 -39.374 -34.700 -2.518 1.00 0.00 H new ATOM 0 H2 GLU A 1 -39.001 -33.658 -1.230 1.00 0.00 H new ATOM 0 H3 GLU A 1 -38.500 -33.272 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 1 -37.609 -35.817 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -37.093 -34.269 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -35.633 -34.176 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -36.252 -36.847 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -36.896 -36.559 -4.322 1.00 0.00 H new ATOM 18 N ASN A 2 -35.349 -34.455 -0.628 1.00 0.00 N ATOM 19 CA ASN A 2 -34.536 -33.853 0.466 1.00 0.00 C ATOM 20 C ASN A 2 -33.897 -32.548 -0.022 1.00 0.00 C ATOM 21 O ASN A 2 -33.066 -31.968 0.646 1.00 0.00 O ATOM 22 CB ASN A 2 -33.441 -34.839 0.878 1.00 0.00 C ATOM 23 CG ASN A 2 -34.073 -36.193 1.206 1.00 0.00 C ATOM 24 OD1 ASN A 2 -33.563 -37.225 0.816 1.00 0.00 O ATOM 25 ND2 ASN A 2 -35.171 -36.234 1.911 1.00 0.00 N ATOM 0 H ASN A 2 -34.852 -35.117 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 2 -35.177 -33.638 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -32.715 -34.950 0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -32.901 -34.458 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -35.600 -37.132 2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -35.599 -35.368 2.239 1.00 0.00 H new ATOM 32 N LYS A 3 -34.282 -32.080 -1.180 1.00 0.00 N ATOM 33 CA LYS A 3 -33.696 -30.811 -1.701 1.00 0.00 C ATOM 34 C LYS A 3 -34.812 -29.926 -2.261 1.00 0.00 C ATOM 35 O LYS A 3 -34.853 -28.737 -2.018 1.00 0.00 O ATOM 36 CB LYS A 3 -32.690 -31.126 -2.810 1.00 0.00 C ATOM 37 CG LYS A 3 -31.502 -30.167 -2.706 1.00 0.00 C ATOM 38 CD LYS A 3 -31.440 -29.289 -3.956 1.00 0.00 C ATOM 39 CE LYS A 3 -30.203 -29.660 -4.776 1.00 0.00 C ATOM 40 NZ LYS A 3 -30.333 -29.105 -6.151 1.00 0.00 N ATOM 0 H LYS A 3 -34.975 -32.520 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 3 -33.188 -30.288 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.348 -32.157 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.166 -31.029 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.601 -29.545 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -30.575 -30.731 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.341 -29.425 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.401 -28.237 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.306 -29.268 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.094 -30.744 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.492 -29.357 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.181 -29.500 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.417 -28.070 -6.101 1.00 0.00 H new ATOM 54 N GLU A 4 -35.718 -30.497 -3.007 1.00 0.00 N ATOM 55 CA GLU A 4 -36.833 -29.688 -3.580 1.00 0.00 C ATOM 56 C GLU A 4 -37.622 -29.034 -2.445 1.00 0.00 C ATOM 57 O GLU A 4 -38.392 -29.680 -1.761 1.00 0.00 O ATOM 58 CB GLU A 4 -37.764 -30.602 -4.383 1.00 0.00 C ATOM 59 CG GLU A 4 -38.318 -29.841 -5.589 1.00 0.00 C ATOM 60 CD GLU A 4 -38.330 -30.759 -6.812 1.00 0.00 C ATOM 61 OE1 GLU A 4 -39.272 -31.522 -6.947 1.00 0.00 O ATOM 62 OE2 GLU A 4 -37.395 -30.685 -7.593 1.00 0.00 O ATOM 0 H GLU A 4 -35.735 -31.489 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 4 -36.425 -28.917 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -37.222 -31.487 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -38.582 -30.949 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -39.327 -29.488 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -37.707 -28.960 -5.788 1.00 0.00 H new ATOM 69 N GLU A 5 -37.440 -27.758 -2.234 1.00 0.00 N ATOM 70 CA GLU A 5 -38.185 -27.075 -1.138 1.00 0.00 C ATOM 71 C GLU A 5 -37.792 -25.595 -1.096 1.00 0.00 C ATOM 72 O GLU A 5 -36.710 -25.244 -0.672 1.00 0.00 O ATOM 73 CB GLU A 5 -37.837 -27.734 0.199 1.00 0.00 C ATOM 74 CG GLU A 5 -38.937 -27.435 1.218 1.00 0.00 C ATOM 75 CD GLU A 5 -39.017 -28.578 2.231 1.00 0.00 C ATOM 76 OE1 GLU A 5 -38.079 -29.357 2.290 1.00 0.00 O ATOM 77 OE2 GLU A 5 -40.013 -28.655 2.930 1.00 0.00 O ATOM 0 H GLU A 5 -36.810 -27.161 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 5 -39.257 -27.159 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -37.731 -28.811 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -36.879 -27.361 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -38.728 -26.495 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -39.895 -27.316 0.711 1.00 0.00 H new ATOM 84 N THR A 6 -38.666 -24.727 -1.530 1.00 0.00 N ATOM 85 CA THR A 6 -38.345 -23.271 -1.514 1.00 0.00 C ATOM 86 C THR A 6 -36.938 -23.051 -2.075 1.00 0.00 C ATOM 87 O THR A 6 -35.966 -23.112 -1.347 1.00 0.00 O ATOM 88 CB THR A 6 -38.407 -22.748 -0.078 1.00 0.00 C ATOM 89 OG1 THR A 6 -39.722 -22.922 0.430 1.00 0.00 O ATOM 90 CG2 THR A 6 -38.041 -21.263 -0.056 1.00 0.00 C ATOM 0 H THR A 6 -39.589 -24.964 -1.895 1.00 0.00 H new ATOM 0 HA THR A 6 -39.069 -22.735 -2.127 1.00 0.00 H new ATOM 0 HB THR A 6 -37.701 -23.301 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 6 -39.764 -22.589 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 6 -38.086 -20.892 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 6 -37.032 -21.131 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 6 -38.744 -20.706 -0.675 1.00 0.00 H new ATOM 98 N PRO A 7 -36.869 -22.801 -3.359 1.00 0.00 N ATOM 99 CA PRO A 7 -35.586 -22.569 -4.043 1.00 0.00 C ATOM 100 C PRO A 7 -34.885 -21.343 -3.449 1.00 0.00 C ATOM 101 O PRO A 7 -35.466 -20.586 -2.696 1.00 0.00 O ATOM 102 CB PRO A 7 -35.962 -22.321 -5.511 1.00 0.00 C ATOM 103 CG PRO A 7 -37.505 -22.418 -5.625 1.00 0.00 C ATOM 104 CD PRO A 7 -38.058 -22.733 -4.226 1.00 0.00 C ATOM 0 HA PRO A 7 -34.899 -23.408 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -35.616 -21.339 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -35.484 -23.056 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -37.920 -21.482 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -37.788 -23.197 -6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -38.749 -21.960 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -38.606 -23.675 -4.220 1.00 0.00 H new ATOM 112 N GLU A 8 -33.641 -21.144 -3.783 1.00 0.00 N ATOM 113 CA GLU A 8 -32.900 -19.971 -3.238 1.00 0.00 C ATOM 114 C GLU A 8 -31.462 -19.999 -3.758 1.00 0.00 C ATOM 115 O GLU A 8 -30.537 -19.592 -3.085 1.00 0.00 O ATOM 116 CB GLU A 8 -32.894 -20.043 -1.709 1.00 0.00 C ATOM 117 CG GLU A 8 -32.635 -21.486 -1.264 1.00 0.00 C ATOM 118 CD GLU A 8 -32.135 -21.498 0.183 1.00 0.00 C ATOM 119 OE1 GLU A 8 -32.959 -21.366 1.074 1.00 0.00 O ATOM 120 OE2 GLU A 8 -30.940 -21.642 0.376 1.00 0.00 O ATOM 0 H GLU A 8 -33.104 -21.743 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 8 -33.384 -19.048 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -32.125 -19.384 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -33.849 -19.696 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -33.550 -22.072 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -31.897 -21.952 -1.918 1.00 0.00 H new ATOM 127 N THR A 9 -31.268 -20.491 -4.951 1.00 0.00 N ATOM 128 CA THR A 9 -29.894 -20.567 -5.521 1.00 0.00 C ATOM 129 C THR A 9 -29.533 -19.292 -6.305 1.00 0.00 C ATOM 130 O THR A 9 -28.422 -18.815 -6.194 1.00 0.00 O ATOM 131 CB THR A 9 -29.797 -21.780 -6.449 1.00 0.00 C ATOM 132 OG1 THR A 9 -30.159 -22.952 -5.731 1.00 0.00 O ATOM 133 CG2 THR A 9 -28.365 -21.917 -6.967 1.00 0.00 C ATOM 0 H THR A 9 -32.007 -20.845 -5.558 1.00 0.00 H new ATOM 0 HA THR A 9 -29.190 -20.665 -4.695 1.00 0.00 H new ATOM 0 HB THR A 9 -30.473 -21.647 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 9 -30.099 -23.730 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 9 -28.298 -22.781 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 9 -28.090 -21.017 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 9 -27.685 -22.050 -6.126 1.00 0.00 H new ATOM 141 N PRO A 10 -30.454 -18.778 -7.092 1.00 0.00 N ATOM 142 CA PRO A 10 -30.184 -17.576 -7.899 1.00 0.00 C ATOM 143 C PRO A 10 -29.939 -16.357 -6.993 1.00 0.00 C ATOM 144 O PRO A 10 -28.824 -16.108 -6.592 1.00 0.00 O ATOM 145 CB PRO A 10 -31.436 -17.399 -8.774 1.00 0.00 C ATOM 146 CG PRO A 10 -32.464 -18.480 -8.347 1.00 0.00 C ATOM 147 CD PRO A 10 -31.814 -19.334 -7.245 1.00 0.00 C ATOM 0 HA PRO A 10 -29.285 -17.674 -8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -31.855 -16.401 -8.646 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -31.184 -17.506 -9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -33.379 -18.014 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -32.742 -19.101 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -32.375 -19.271 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -31.782 -20.386 -7.527 1.00 0.00 H new ATOM 155 N GLU A 11 -30.965 -15.606 -6.665 1.00 0.00 N ATOM 156 CA GLU A 11 -30.794 -14.403 -5.787 1.00 0.00 C ATOM 157 C GLU A 11 -29.599 -13.548 -6.260 1.00 0.00 C ATOM 158 O GLU A 11 -28.455 -13.944 -6.184 1.00 0.00 O ATOM 159 CB GLU A 11 -30.621 -14.850 -4.321 1.00 0.00 C ATOM 160 CG GLU A 11 -29.139 -14.965 -3.946 1.00 0.00 C ATOM 161 CD GLU A 11 -29.017 -15.328 -2.466 1.00 0.00 C ATOM 162 OE1 GLU A 11 -29.396 -14.511 -1.642 1.00 0.00 O ATOM 163 OE2 GLU A 11 -28.549 -16.418 -2.181 1.00 0.00 O ATOM 0 H GLU A 11 -31.923 -15.777 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 11 -31.686 -13.781 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -31.111 -14.135 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -31.112 -15.811 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -28.655 -15.725 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -28.628 -14.023 -4.144 1.00 0.00 H new ATOM 170 N THR A 12 -29.865 -12.369 -6.752 1.00 0.00 N ATOM 171 CA THR A 12 -28.755 -11.494 -7.234 1.00 0.00 C ATOM 172 C THR A 12 -27.861 -11.072 -6.059 1.00 0.00 C ATOM 173 O THR A 12 -28.309 -10.443 -5.121 1.00 0.00 O ATOM 174 CB THR A 12 -29.342 -10.244 -7.895 1.00 0.00 C ATOM 175 OG1 THR A 12 -30.222 -9.599 -6.987 1.00 0.00 O ATOM 176 CG2 THR A 12 -30.110 -10.642 -9.157 1.00 0.00 C ATOM 0 H THR A 12 -30.801 -11.973 -6.842 1.00 0.00 H new ATOM 0 HA THR A 12 -28.156 -12.050 -7.956 1.00 0.00 H new ATOM 0 HB THR A 12 -28.534 -9.564 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 12 -29.867 -9.676 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 12 -30.527 -9.751 -9.626 1.00 0.00 H new ATOM 0 HG22 THR A 12 -29.433 -11.136 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 12 -30.918 -11.324 -8.891 1.00 0.00 H new ATOM 184 N ASP A 13 -26.597 -11.407 -6.113 1.00 0.00 N ATOM 185 CA ASP A 13 -25.662 -11.025 -5.016 1.00 0.00 C ATOM 186 C ASP A 13 -24.320 -11.732 -5.223 1.00 0.00 C ATOM 187 O ASP A 13 -23.657 -12.113 -4.277 1.00 0.00 O ATOM 188 CB ASP A 13 -26.245 -11.452 -3.672 1.00 0.00 C ATOM 189 CG ASP A 13 -26.634 -12.929 -3.732 1.00 0.00 C ATOM 190 OD1 ASP A 13 -26.455 -13.524 -4.782 1.00 0.00 O ATOM 191 OD2 ASP A 13 -27.106 -13.439 -2.730 1.00 0.00 O ATOM 0 H ASP A 13 -26.171 -11.933 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 13 -25.519 -9.945 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -25.516 -11.289 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -27.118 -10.844 -3.432 1.00 0.00 H new ATOM 196 N SER A 14 -23.915 -11.921 -6.448 1.00 0.00 N ATOM 197 CA SER A 14 -22.621 -12.616 -6.702 1.00 0.00 C ATOM 198 C SER A 14 -21.854 -11.917 -7.832 1.00 0.00 C ATOM 199 O SER A 14 -20.640 -11.939 -7.870 1.00 0.00 O ATOM 200 CB SER A 14 -22.901 -14.065 -7.099 1.00 0.00 C ATOM 201 OG SER A 14 -22.434 -14.932 -6.073 1.00 0.00 O ATOM 0 H SER A 14 -24.422 -11.625 -7.282 1.00 0.00 H new ATOM 0 HA SER A 14 -22.016 -12.587 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 14 -23.970 -14.211 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 14 -22.406 -14.298 -8.041 1.00 0.00 H new ATOM 0 HG SER A 14 -22.614 -15.862 -6.324 1.00 0.00 H new ATOM 207 N GLU A 15 -22.543 -11.305 -8.757 1.00 0.00 N ATOM 208 CA GLU A 15 -21.833 -10.624 -9.877 1.00 0.00 C ATOM 209 C GLU A 15 -22.146 -9.125 -9.872 1.00 0.00 C ATOM 210 O GLU A 15 -21.733 -8.401 -10.755 1.00 0.00 O ATOM 211 CB GLU A 15 -22.289 -11.225 -11.205 1.00 0.00 C ATOM 212 CG GLU A 15 -23.785 -11.537 -11.134 1.00 0.00 C ATOM 213 CD GLU A 15 -24.252 -12.112 -12.473 1.00 0.00 C ATOM 214 OE1 GLU A 15 -23.490 -12.851 -13.076 1.00 0.00 O ATOM 215 OE2 GLU A 15 -25.363 -11.805 -12.873 1.00 0.00 O ATOM 0 H GLU A 15 -23.561 -11.247 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.760 -10.765 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -22.090 -10.529 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -21.726 -12.134 -11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.981 -12.249 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -24.345 -10.632 -10.900 1.00 0.00 H new ATOM 222 N GLU A 16 -22.873 -8.649 -8.898 1.00 0.00 N ATOM 223 CA GLU A 16 -23.195 -7.194 -8.877 1.00 0.00 C ATOM 224 C GLU A 16 -23.575 -6.747 -7.463 1.00 0.00 C ATOM 225 O GLU A 16 -24.735 -6.580 -7.144 1.00 0.00 O ATOM 226 CB GLU A 16 -24.360 -6.914 -9.830 1.00 0.00 C ATOM 227 CG GLU A 16 -25.402 -8.027 -9.707 1.00 0.00 C ATOM 228 CD GLU A 16 -26.777 -7.409 -9.447 1.00 0.00 C ATOM 229 OE1 GLU A 16 -27.431 -7.040 -10.409 1.00 0.00 O ATOM 230 OE2 GLU A 16 -27.155 -7.317 -8.291 1.00 0.00 O ATOM 0 H GLU A 16 -23.253 -9.196 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.314 -6.637 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -24.812 -5.951 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -23.997 -6.853 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -25.425 -8.621 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -25.135 -8.702 -8.894 1.00 0.00 H new ATOM 237 N GLU A 17 -22.601 -6.530 -6.622 1.00 0.00 N ATOM 238 CA GLU A 17 -22.892 -6.066 -5.238 1.00 0.00 C ATOM 239 C GLU A 17 -22.280 -4.674 -5.061 1.00 0.00 C ATOM 240 O GLU A 17 -22.872 -3.677 -5.421 1.00 0.00 O ATOM 241 CB GLU A 17 -22.276 -7.036 -4.232 1.00 0.00 C ATOM 242 CG GLU A 17 -23.353 -7.985 -3.702 1.00 0.00 C ATOM 243 CD GLU A 17 -23.059 -8.319 -2.239 1.00 0.00 C ATOM 244 OE1 GLU A 17 -22.255 -7.621 -1.642 1.00 0.00 O ATOM 245 OE2 GLU A 17 -23.640 -9.269 -1.740 1.00 0.00 O ATOM 0 H GLU A 17 -21.612 -6.655 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 17 -23.968 -6.025 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.477 -7.606 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.828 -6.483 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -24.336 -7.523 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.375 -8.898 -4.298 1.00 0.00 H new ATOM 252 N VAL A 18 -21.089 -4.595 -4.529 1.00 0.00 N ATOM 253 CA VAL A 18 -20.434 -3.274 -4.356 1.00 0.00 C ATOM 254 C VAL A 18 -18.943 -3.525 -4.157 1.00 0.00 C ATOM 255 O VAL A 18 -18.545 -4.243 -3.266 1.00 0.00 O ATOM 256 CB VAL A 18 -21.057 -2.544 -3.150 1.00 0.00 C ATOM 257 CG1 VAL A 18 -20.078 -2.474 -1.969 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.444 -1.126 -3.575 1.00 0.00 C ATOM 0 H VAL A 18 -20.543 -5.394 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 18 -20.579 -2.637 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 18 -21.937 -3.100 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.550 -1.953 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.808 -3.484 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.180 -1.936 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.886 -0.600 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.555 -0.591 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.167 -1.175 -4.389 1.00 0.00 H new ATOM 268 N THR A 19 -18.110 -2.974 -4.988 1.00 0.00 N ATOM 269 CA THR A 19 -16.659 -3.237 -4.821 1.00 0.00 C ATOM 270 C THR A 19 -15.864 -1.937 -4.816 1.00 0.00 C ATOM 271 O THR A 19 -15.950 -1.132 -5.720 1.00 0.00 O ATOM 272 CB THR A 19 -16.170 -4.107 -5.977 1.00 0.00 C ATOM 273 OG1 THR A 19 -14.781 -4.376 -5.818 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.400 -3.372 -7.296 1.00 0.00 C ATOM 0 H THR A 19 -18.365 -2.363 -5.764 1.00 0.00 H new ATOM 0 HA THR A 19 -16.510 -3.744 -3.868 1.00 0.00 H new ATOM 0 HB THR A 19 -16.721 -5.048 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.469 -4.936 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.052 -3.991 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.464 -3.168 -7.418 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.849 -2.432 -7.289 1.00 0.00 H new ATOM 282 N ILE A 20 -15.061 -1.756 -3.813 1.00 0.00 N ATOM 283 CA ILE A 20 -14.210 -0.543 -3.732 1.00 0.00 C ATOM 284 C ILE A 20 -12.767 -1.009 -3.938 1.00 0.00 C ATOM 285 O ILE A 20 -11.987 -1.102 -3.012 1.00 0.00 O ATOM 286 CB ILE A 20 -14.396 0.097 -2.354 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.677 1.447 -2.302 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.832 -0.829 -1.279 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.593 2.480 -1.647 1.00 0.00 C ATOM 0 H ILE A 20 -14.956 -2.406 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.472 0.201 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.459 0.255 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.749 1.357 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.408 1.768 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.965 -0.372 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.357 -1.784 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.770 -0.994 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.085 3.444 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.509 2.576 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.839 2.158 -0.635 1.00 0.00 H new ATOM 301 N LYS A 21 -12.435 -1.365 -5.150 1.00 0.00 N ATOM 302 CA LYS A 21 -11.076 -1.904 -5.436 1.00 0.00 C ATOM 303 C LYS A 21 -10.022 -0.803 -5.524 1.00 0.00 C ATOM 304 O LYS A 21 -10.068 0.063 -6.373 1.00 0.00 O ATOM 305 CB LYS A 21 -11.111 -2.662 -6.766 1.00 0.00 C ATOM 306 CG LYS A 21 -9.725 -3.239 -7.055 1.00 0.00 C ATOM 307 CD LYS A 21 -9.419 -3.122 -8.550 1.00 0.00 C ATOM 308 CE LYS A 21 -9.378 -4.517 -9.177 1.00 0.00 C ATOM 309 NZ LYS A 21 -10.092 -4.495 -10.485 1.00 0.00 N ATOM 0 H LYS A 21 -13.053 -1.305 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.802 -2.563 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.849 -3.463 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.414 -1.993 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.971 -2.706 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.684 -4.284 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.179 -2.514 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.464 -2.618 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.345 -4.833 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.843 -5.242 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.064 -5.443 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.081 -4.211 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.629 -3.815 -11.122 1.00 0.00 H new ATOM 323 N ALA A 22 -9.040 -0.875 -4.667 1.00 0.00 N ATOM 324 CA ALA A 22 -7.929 0.112 -4.696 1.00 0.00 C ATOM 325 C ALA A 22 -6.723 -0.580 -5.328 1.00 0.00 C ATOM 326 O ALA A 22 -6.363 -1.673 -4.944 1.00 0.00 O ATOM 327 CB ALA A 22 -7.585 0.540 -3.271 1.00 0.00 C ATOM 0 H ALA A 22 -8.962 -1.586 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.212 0.997 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.770 1.264 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.460 0.994 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.279 -0.332 -2.693 1.00 0.00 H new ATOM 333 N ASN A 23 -6.113 0.018 -6.309 1.00 0.00 N ATOM 334 CA ASN A 23 -4.959 -0.652 -6.968 1.00 0.00 C ATOM 335 C ASN A 23 -3.641 -0.348 -6.252 1.00 0.00 C ATOM 336 O ASN A 23 -3.606 0.298 -5.224 1.00 0.00 O ATOM 337 CB ASN A 23 -4.877 -0.192 -8.416 1.00 0.00 C ATOM 338 CG ASN A 23 -5.446 -1.266 -9.341 1.00 0.00 C ATOM 339 OD1 ASN A 23 -5.285 -2.445 -9.097 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.112 -0.902 -10.403 1.00 0.00 N ATOM 0 H ASN A 23 -6.360 0.935 -6.682 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.117 -1.729 -6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.431 0.738 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.840 0.016 -8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.498 -1.608 -11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.246 0.089 -10.606 1.00 0.00 H new ATOM 347 N LEU A 24 -2.556 -0.831 -6.799 1.00 0.00 N ATOM 348 CA LEU A 24 -1.215 -0.611 -6.184 1.00 0.00 C ATOM 349 C LEU A 24 -0.139 -0.839 -7.249 1.00 0.00 C ATOM 350 O LEU A 24 0.567 -1.826 -7.224 1.00 0.00 O ATOM 351 CB LEU A 24 -1.002 -1.612 -5.052 1.00 0.00 C ATOM 352 CG LEU A 24 -2.027 -1.379 -3.942 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.797 -2.402 -2.842 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.858 0.027 -3.359 1.00 0.00 C ATOM 0 H LEU A 24 -2.544 -1.377 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.155 0.405 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.093 -2.629 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.007 -1.511 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.033 -1.479 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.522 -2.247 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.915 -3.406 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.789 -2.288 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.592 0.184 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.854 0.132 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.007 0.767 -4.145 1.00 0.00 H new ATOM 366 N ILE A 25 -0.018 0.049 -8.195 1.00 0.00 N ATOM 367 CA ILE A 25 0.997 -0.141 -9.273 1.00 0.00 C ATOM 368 C ILE A 25 2.392 0.253 -8.780 1.00 0.00 C ATOM 369 O ILE A 25 2.683 1.414 -8.576 1.00 0.00 O ATOM 370 CB ILE A 25 0.628 0.733 -10.468 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.697 0.257 -11.061 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.724 0.633 -11.528 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.855 0.973 -10.369 1.00 0.00 C ATOM 0 H ILE A 25 -0.577 0.899 -8.270 1.00 0.00 H new ATOM 0 HA ILE A 25 1.009 -1.193 -9.560 1.00 0.00 H new ATOM 0 HB ILE A 25 0.528 1.768 -10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.720 0.457 -12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.796 -0.821 -10.936 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.462 1.257 -12.382 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.670 0.974 -11.107 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.823 -0.403 -11.852 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.799 0.632 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.835 0.750 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.758 2.049 -10.517 1.00 0.00 H new ATOM 385 N PHE A 26 3.265 -0.704 -8.611 1.00 0.00 N ATOM 386 CA PHE A 26 4.647 -0.381 -8.150 1.00 0.00 C ATOM 387 C PHE A 26 5.530 -0.050 -9.342 1.00 0.00 C ATOM 388 O PHE A 26 5.247 -0.401 -10.471 1.00 0.00 O ATOM 389 CB PHE A 26 5.254 -1.571 -7.429 1.00 0.00 C ATOM 390 CG PHE A 26 4.406 -1.941 -6.238 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.132 -0.977 -5.264 1.00 0.00 C ATOM 392 CD2 PHE A 26 3.901 -3.242 -6.102 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.353 -1.306 -4.152 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.119 -3.572 -4.988 1.00 0.00 C ATOM 395 CZ PHE A 26 2.844 -2.604 -4.014 1.00 0.00 C ATOM 0 H PHE A 26 3.081 -1.694 -8.772 1.00 0.00 H new ATOM 0 HA PHE A 26 4.587 0.473 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.329 -2.419 -8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.267 -1.332 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.523 0.024 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.114 -3.987 -6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.143 -0.560 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.728 -4.573 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.239 -2.858 -3.156 1.00 0.00 H new ATOM 405 N ALA A 27 6.614 0.607 -9.079 1.00 0.00 N ATOM 406 CA ALA A 27 7.571 0.964 -10.158 1.00 0.00 C ATOM 407 C ALA A 27 8.480 -0.233 -10.418 1.00 0.00 C ATOM 408 O ALA A 27 8.922 -0.470 -11.525 1.00 0.00 O ATOM 409 CB ALA A 27 8.420 2.153 -9.711 1.00 0.00 C ATOM 0 H ALA A 27 6.886 0.919 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 27 7.028 1.228 -11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.123 2.416 -10.502 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.772 3.005 -9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.971 1.888 -8.809 1.00 0.00 H new ATOM 415 N ASN A 28 8.780 -0.974 -9.385 1.00 0.00 N ATOM 416 CA ASN A 28 9.680 -2.144 -9.532 1.00 0.00 C ATOM 417 C ASN A 28 9.049 -3.379 -8.883 1.00 0.00 C ATOM 418 O ASN A 28 9.356 -4.500 -9.236 1.00 0.00 O ATOM 419 CB ASN A 28 11.002 -1.838 -8.833 1.00 0.00 C ATOM 420 CG ASN A 28 10.762 -0.906 -7.645 1.00 0.00 C ATOM 421 OD1 ASN A 28 10.644 0.374 -7.855 1.00 0.00 O flip ATOM 422 ND2 ASN A 28 10.684 -1.348 -6.516 1.00 0.00 N flip ATOM 0 H ASN A 28 8.435 -0.814 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 28 9.845 -2.341 -10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.465 -2.764 -8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.695 -1.375 -9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.777 -2.351 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.526 -0.716 -5.731 1.00 0.00 H new ATOM 429 N GLY A 29 8.173 -3.187 -7.933 1.00 0.00 N ATOM 430 CA GLY A 29 7.531 -4.354 -7.266 1.00 0.00 C ATOM 431 C GLY A 29 6.388 -4.885 -8.132 1.00 0.00 C ATOM 432 O GLY A 29 5.591 -5.689 -7.691 1.00 0.00 O ATOM 0 H GLY A 29 7.875 -2.273 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.268 -5.140 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.151 -4.061 -6.287 1.00 0.00 H new ATOM 436 N SER A 30 6.299 -4.446 -9.360 1.00 0.00 N ATOM 437 CA SER A 30 5.209 -4.932 -10.248 1.00 0.00 C ATOM 438 C SER A 30 3.902 -4.241 -9.872 1.00 0.00 C ATOM 439 O SER A 30 3.802 -3.600 -8.850 1.00 0.00 O ATOM 440 CB SER A 30 5.051 -6.441 -10.078 1.00 0.00 C ATOM 441 OG SER A 30 4.047 -6.703 -9.107 1.00 0.00 O ATOM 0 H SER A 30 6.936 -3.771 -9.784 1.00 0.00 H new ATOM 0 HA SER A 30 5.456 -4.705 -11.285 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.781 -6.899 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.997 -6.884 -9.768 1.00 0.00 H new ATOM 0 HG SER A 30 4.347 -6.381 -8.231 1.00 0.00 H new ATOM 447 N THR A 31 2.897 -4.366 -10.685 1.00 0.00 N ATOM 448 CA THR A 31 1.608 -3.711 -10.348 1.00 0.00 C ATOM 449 C THR A 31 0.683 -4.732 -9.682 1.00 0.00 C ATOM 450 O THR A 31 0.665 -5.894 -10.037 1.00 0.00 O ATOM 451 CB THR A 31 0.949 -3.174 -11.623 1.00 0.00 C ATOM 452 OG1 THR A 31 -0.388 -2.792 -11.336 1.00 0.00 O ATOM 453 CG2 THR A 31 0.944 -4.258 -12.704 1.00 0.00 C ATOM 0 H THR A 31 2.910 -4.888 -11.561 1.00 0.00 H new ATOM 0 HA THR A 31 1.790 -2.881 -9.665 1.00 0.00 H new ATOM 0 HB THR A 31 1.511 -2.312 -11.981 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.791 -2.388 -12.133 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.474 -3.869 -13.607 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.969 -4.554 -12.927 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.385 -5.124 -12.348 1.00 0.00 H new ATOM 461 N GLN A 32 -0.088 -4.305 -8.724 1.00 0.00 N ATOM 462 CA GLN A 32 -1.020 -5.240 -8.039 1.00 0.00 C ATOM 463 C GLN A 32 -2.247 -4.462 -7.583 1.00 0.00 C ATOM 464 O GLN A 32 -2.158 -3.323 -7.173 1.00 0.00 O ATOM 465 CB GLN A 32 -0.339 -5.868 -6.825 1.00 0.00 C ATOM 466 CG GLN A 32 0.028 -7.322 -7.130 1.00 0.00 C ATOM 467 CD GLN A 32 -0.943 -8.254 -6.404 1.00 0.00 C ATOM 468 OE1 GLN A 32 -2.172 -7.867 -6.200 1.00 0.00 O flip ATOM 469 NE2 GLN A 32 -0.580 -9.348 -6.017 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.113 -3.344 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.310 -6.033 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.557 -5.304 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.003 -5.824 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.013 -7.501 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.051 -7.525 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.381 -9.652 -6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.236 -9.962 -5.534 1.00 0.00 H new ATOM 478 N THR A 33 -3.389 -5.067 -7.662 1.00 0.00 N ATOM 479 CA THR A 33 -4.635 -4.369 -7.250 1.00 0.00 C ATOM 480 C THR A 33 -4.986 -4.738 -5.804 1.00 0.00 C ATOM 481 O THR A 33 -4.328 -5.540 -5.172 1.00 0.00 O ATOM 482 CB THR A 33 -5.779 -4.807 -8.168 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.368 -5.993 -7.654 1.00 0.00 O ATOM 484 CG2 THR A 33 -5.238 -5.073 -9.575 1.00 0.00 C ATOM 0 H THR A 33 -3.518 -6.022 -7.996 1.00 0.00 H new ATOM 0 HA THR A 33 -4.486 -3.292 -7.322 1.00 0.00 H new ATOM 0 HB THR A 33 -6.529 -4.017 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.102 -6.274 -8.240 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.055 -5.385 -10.226 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.787 -4.163 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.487 -5.862 -9.533 1.00 0.00 H new ATOM 492 N ALA A 34 -6.036 -4.164 -5.294 1.00 0.00 N ATOM 493 CA ALA A 34 -6.481 -4.464 -3.901 1.00 0.00 C ATOM 494 C ALA A 34 -7.995 -4.279 -3.870 1.00 0.00 C ATOM 495 O ALA A 34 -8.531 -3.532 -4.660 1.00 0.00 O ATOM 496 CB ALA A 34 -5.817 -3.490 -2.921 1.00 0.00 C ATOM 0 H ALA A 34 -6.617 -3.488 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.205 -5.478 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.146 -3.714 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.734 -3.594 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.099 -2.468 -3.176 1.00 0.00 H new ATOM 502 N GLU A 35 -8.714 -4.943 -3.010 1.00 0.00 N ATOM 503 CA GLU A 35 -10.187 -4.741 -3.049 1.00 0.00 C ATOM 504 C GLU A 35 -10.869 -5.073 -1.724 1.00 0.00 C ATOM 505 O GLU A 35 -10.727 -6.147 -1.175 1.00 0.00 O ATOM 506 CB GLU A 35 -10.781 -5.627 -4.144 1.00 0.00 C ATOM 507 CG GLU A 35 -9.999 -6.940 -4.226 1.00 0.00 C ATOM 508 CD GLU A 35 -10.755 -7.928 -5.116 1.00 0.00 C ATOM 509 OE1 GLU A 35 -11.906 -7.659 -5.422 1.00 0.00 O ATOM 510 OE2 GLU A 35 -10.171 -8.937 -5.477 1.00 0.00 O ATOM 0 H GLU A 35 -8.363 -5.593 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.363 -3.684 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.831 -5.830 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.744 -5.110 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.003 -6.758 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.866 -7.360 -3.229 1.00 0.00 H new ATOM 517 N PHE A 36 -11.668 -4.154 -1.254 1.00 0.00 N ATOM 518 CA PHE A 36 -12.452 -4.373 -0.013 1.00 0.00 C ATOM 519 C PHE A 36 -13.921 -4.165 -0.385 1.00 0.00 C ATOM 520 O PHE A 36 -14.471 -3.094 -0.217 1.00 0.00 O ATOM 521 CB PHE A 36 -12.055 -3.378 1.077 1.00 0.00 C ATOM 522 CG PHE A 36 -10.748 -2.688 0.745 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.668 -1.816 -0.347 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.620 -2.908 1.547 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.461 -1.167 -0.638 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.413 -2.257 1.255 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.333 -1.389 0.164 1.00 0.00 C ATOM 0 H PHE A 36 -11.811 -3.243 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.268 -5.373 0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.842 -2.633 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.962 -3.898 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.537 -1.644 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.680 -3.580 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.400 -0.495 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.545 -2.427 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.403 -0.889 -0.062 1.00 0.00 H new ATOM 537 N LYS A 37 -14.544 -5.173 -0.933 1.00 0.00 N ATOM 538 CA LYS A 37 -15.963 -5.035 -1.372 1.00 0.00 C ATOM 539 C LYS A 37 -16.906 -5.137 -0.179 1.00 0.00 C ATOM 540 O LYS A 37 -16.486 -5.240 0.956 1.00 0.00 O ATOM 541 CB LYS A 37 -16.281 -6.134 -2.383 1.00 0.00 C ATOM 542 CG LYS A 37 -15.046 -6.395 -3.251 1.00 0.00 C ATOM 543 CD LYS A 37 -15.430 -7.272 -4.441 1.00 0.00 C ATOM 544 CE LYS A 37 -15.568 -8.722 -3.976 1.00 0.00 C ATOM 545 NZ LYS A 37 -15.491 -9.631 -5.151 1.00 0.00 N ATOM 0 H LYS A 37 -14.129 -6.091 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.101 -4.057 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.575 -7.047 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.123 -5.837 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.630 -5.451 -3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.271 -6.885 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.368 -6.926 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.672 -7.199 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.778 -8.963 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.517 -8.860 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.585 -10.617 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.259 -9.406 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.575 -9.506 -5.627 1.00 0.00 H new ATOM 559 N GLY A 38 -18.185 -5.081 -0.429 1.00 0.00 N ATOM 560 CA GLY A 38 -19.163 -5.143 0.693 1.00 0.00 C ATOM 561 C GLY A 38 -19.406 -3.717 1.194 1.00 0.00 C ATOM 562 O GLY A 38 -20.393 -3.091 0.860 1.00 0.00 O ATOM 0 H GLY A 38 -18.594 -4.995 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.098 -5.593 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.779 -5.769 1.498 1.00 0.00 H new ATOM 566 N THR A 39 -18.498 -3.190 1.971 1.00 0.00 N ATOM 567 CA THR A 39 -18.660 -1.794 2.469 1.00 0.00 C ATOM 568 C THR A 39 -18.516 -0.842 1.280 1.00 0.00 C ATOM 569 O THR A 39 -18.214 -1.265 0.183 1.00 0.00 O ATOM 570 CB THR A 39 -17.564 -1.496 3.495 1.00 0.00 C ATOM 571 OG1 THR A 39 -17.753 -0.193 4.027 1.00 0.00 O ATOM 572 CG2 THR A 39 -16.199 -1.583 2.811 1.00 0.00 C ATOM 0 H THR A 39 -17.651 -3.666 2.282 1.00 0.00 H new ATOM 0 HA THR A 39 -19.636 -1.667 2.937 1.00 0.00 H new ATOM 0 HB THR A 39 -17.611 -2.223 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.058 -0.260 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.414 -1.372 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.058 -2.585 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.150 -0.854 2.002 1.00 0.00 H new ATOM 580 N PHE A 40 -18.722 0.437 1.466 1.00 0.00 N ATOM 581 CA PHE A 40 -18.580 1.359 0.305 1.00 0.00 C ATOM 582 C PHE A 40 -17.428 2.334 0.522 1.00 0.00 C ATOM 583 O PHE A 40 -16.288 2.023 0.236 1.00 0.00 O ATOM 584 CB PHE A 40 -19.896 2.114 0.045 1.00 0.00 C ATOM 585 CG PHE A 40 -19.809 2.835 -1.288 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.112 4.050 -1.399 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.398 2.269 -2.426 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.004 4.687 -2.639 1.00 0.00 C ATOM 589 CE2 PHE A 40 -20.295 2.916 -3.665 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.595 4.123 -3.771 1.00 0.00 C ATOM 0 H PHE A 40 -18.977 0.873 2.352 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.352 0.761 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.733 1.416 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.082 2.829 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -18.659 4.493 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -20.932 1.333 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.462 5.618 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.757 2.482 -4.540 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.512 4.618 -4.727 1.00 0.00 H new ATOM 600 N GLU A 41 -17.693 3.510 0.990 1.00 0.00 N ATOM 601 CA GLU A 41 -16.593 4.476 1.175 1.00 0.00 C ATOM 602 C GLU A 41 -15.911 4.211 2.512 1.00 0.00 C ATOM 603 O GLU A 41 -14.952 4.859 2.875 1.00 0.00 O ATOM 604 CB GLU A 41 -17.160 5.887 1.094 1.00 0.00 C ATOM 605 CG GLU A 41 -16.015 6.898 1.035 1.00 0.00 C ATOM 606 CD GLU A 41 -16.588 8.311 0.910 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.946 8.877 1.930 1.00 0.00 O ATOM 608 OE2 GLU A 41 -16.663 8.801 -0.205 1.00 0.00 O ATOM 0 H GLU A 41 -18.621 3.844 1.252 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.842 4.366 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.791 5.986 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.790 6.087 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.401 6.821 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.367 6.680 0.186 1.00 0.00 H new ATOM 615 N LYS A 42 -16.372 3.228 3.232 1.00 0.00 N ATOM 616 CA LYS A 42 -15.718 2.888 4.507 1.00 0.00 C ATOM 617 C LYS A 42 -14.399 2.198 4.165 1.00 0.00 C ATOM 618 O LYS A 42 -13.484 2.136 4.963 1.00 0.00 O ATOM 619 CB LYS A 42 -16.613 1.941 5.310 1.00 0.00 C ATOM 620 CG LYS A 42 -16.912 2.557 6.676 1.00 0.00 C ATOM 621 CD LYS A 42 -18.411 2.446 6.968 1.00 0.00 C ATOM 622 CE LYS A 42 -18.774 3.355 8.143 1.00 0.00 C ATOM 623 NZ LYS A 42 -19.082 4.721 7.636 1.00 0.00 N ATOM 0 H LYS A 42 -17.175 2.649 2.985 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.542 3.780 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.542 1.758 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.121 0.976 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.341 2.045 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.604 3.602 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.985 2.728 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.671 1.413 7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.634 2.951 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.948 3.397 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.329 5.340 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.250 5.105 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.883 4.673 6.974 1.00 0.00 H new ATOM 637 N ALA A 43 -14.303 1.686 2.962 1.00 0.00 N ATOM 638 CA ALA A 43 -13.060 1.005 2.521 1.00 0.00 C ATOM 639 C ALA A 43 -12.127 2.032 1.888 1.00 0.00 C ATOM 640 O ALA A 43 -10.936 1.847 1.862 1.00 0.00 O ATOM 641 CB ALA A 43 -13.403 -0.074 1.495 1.00 0.00 C ATOM 0 H ALA A 43 -15.046 1.715 2.263 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.571 0.542 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.489 -0.573 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.075 -0.804 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.890 0.384 0.634 1.00 0.00 H new ATOM 647 N THR A 44 -12.653 3.115 1.373 1.00 0.00 N ATOM 648 CA THR A 44 -11.756 4.142 0.751 1.00 0.00 C ATOM 649 C THR A 44 -10.620 4.477 1.720 1.00 0.00 C ATOM 650 O THR A 44 -9.466 4.484 1.351 1.00 0.00 O ATOM 651 CB THR A 44 -12.538 5.423 0.445 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.312 5.785 1.577 1.00 0.00 O ATOM 653 CG2 THR A 44 -13.456 5.198 -0.755 1.00 0.00 C ATOM 0 H THR A 44 -13.649 3.333 1.355 1.00 0.00 H new ATOM 0 HA THR A 44 -11.355 3.737 -0.178 1.00 0.00 H new ATOM 0 HB THR A 44 -11.838 6.225 0.211 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.910 5.046 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.009 6.113 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.858 4.926 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.157 4.394 -0.531 1.00 0.00 H new ATOM 661 N SER A 45 -10.937 4.759 2.957 1.00 0.00 N ATOM 662 CA SER A 45 -9.867 5.096 3.943 1.00 0.00 C ATOM 663 C SER A 45 -9.040 3.846 4.243 1.00 0.00 C ATOM 664 O SER A 45 -7.853 3.920 4.477 1.00 0.00 O ATOM 665 CB SER A 45 -10.499 5.607 5.238 1.00 0.00 C ATOM 666 OG SER A 45 -9.685 5.219 6.339 1.00 0.00 O ATOM 0 H SER A 45 -11.888 4.771 3.326 1.00 0.00 H new ATOM 0 HA SER A 45 -9.224 5.870 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.596 6.692 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.504 5.200 5.352 1.00 0.00 H new ATOM 0 HG SER A 45 -10.085 5.545 7.172 1.00 0.00 H new ATOM 672 N GLU A 46 -9.656 2.696 4.231 1.00 0.00 N ATOM 673 CA GLU A 46 -8.896 1.446 4.505 1.00 0.00 C ATOM 674 C GLU A 46 -7.941 1.187 3.340 1.00 0.00 C ATOM 675 O GLU A 46 -6.929 0.531 3.479 1.00 0.00 O ATOM 676 CB GLU A 46 -9.865 0.278 4.643 1.00 0.00 C ATOM 677 CG GLU A 46 -10.213 0.067 6.118 1.00 0.00 C ATOM 678 CD GLU A 46 -8.967 -0.391 6.877 1.00 0.00 C ATOM 679 OE1 GLU A 46 -8.155 -1.079 6.283 1.00 0.00 O ATOM 680 OE2 GLU A 46 -8.848 -0.048 8.042 1.00 0.00 O ATOM 0 H GLU A 46 -10.651 2.569 4.044 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.331 1.550 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.771 0.475 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.419 -0.627 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.594 0.993 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.004 -0.677 6.213 1.00 0.00 H new ATOM 687 N ALA A 47 -8.262 1.716 2.191 1.00 0.00 N ATOM 688 CA ALA A 47 -7.394 1.536 0.998 1.00 0.00 C ATOM 689 C ALA A 47 -6.278 2.570 1.050 1.00 0.00 C ATOM 690 O ALA A 47 -5.143 2.298 0.726 1.00 0.00 O ATOM 691 CB ALA A 47 -8.224 1.735 -0.271 1.00 0.00 C ATOM 0 H ALA A 47 -9.101 2.273 2.029 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.969 0.532 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.588 1.603 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.032 1.004 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.645 2.740 -0.277 1.00 0.00 H new ATOM 697 N TYR A 48 -6.604 3.757 1.470 1.00 0.00 N ATOM 698 CA TYR A 48 -5.586 4.823 1.569 1.00 0.00 C ATOM 699 C TYR A 48 -4.581 4.400 2.633 1.00 0.00 C ATOM 700 O TYR A 48 -3.400 4.668 2.548 1.00 0.00 O ATOM 701 CB TYR A 48 -6.280 6.125 1.968 1.00 0.00 C ATOM 702 CG TYR A 48 -5.700 7.280 1.188 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.319 7.511 1.193 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.550 8.121 0.455 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.788 8.583 0.467 1.00 0.00 C ATOM 706 CE2 TYR A 48 -6.017 9.194 -0.270 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.635 9.424 -0.263 1.00 0.00 C ATOM 708 OH TYR A 48 -4.108 10.480 -0.978 1.00 0.00 O ATOM 0 H TYR A 48 -7.545 4.033 1.751 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.072 4.980 0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.351 6.049 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.157 6.299 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.664 6.863 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.615 7.941 0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.723 8.761 0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.670 9.843 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.832 10.963 -1.429 1.00 0.00 H new ATOM 718 N ALA A 49 -5.062 3.710 3.624 1.00 0.00 N ATOM 719 CA ALA A 49 -4.177 3.210 4.708 1.00 0.00 C ATOM 720 C ALA A 49 -3.516 1.908 4.249 1.00 0.00 C ATOM 721 O ALA A 49 -2.428 1.575 4.660 1.00 0.00 O ATOM 722 CB ALA A 49 -5.008 2.951 5.964 1.00 0.00 C ATOM 0 H ALA A 49 -6.047 3.467 3.731 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.410 3.951 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.360 2.584 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.485 3.878 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.773 2.206 5.747 1.00 0.00 H new ATOM 728 N TYR A 50 -4.176 1.166 3.398 1.00 0.00 N ATOM 729 CA TYR A 50 -3.590 -0.114 2.909 1.00 0.00 C ATOM 730 C TYR A 50 -2.314 0.189 2.118 1.00 0.00 C ATOM 731 O TYR A 50 -1.275 -0.403 2.333 1.00 0.00 O ATOM 732 CB TYR A 50 -4.611 -0.814 2.012 1.00 0.00 C ATOM 733 CG TYR A 50 -4.055 -2.126 1.512 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.325 -2.957 2.372 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.277 -2.511 0.187 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.817 -4.173 1.900 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.772 -3.725 -0.284 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.041 -4.559 0.573 1.00 0.00 C ATOM 739 OH TYR A 50 -2.543 -5.760 0.110 1.00 0.00 O ATOM 0 H TYR A 50 -5.096 1.393 3.021 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.343 -0.763 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.533 -0.989 2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.864 -0.173 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.155 -2.660 3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.840 -1.869 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.252 -4.814 2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.945 -4.021 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.789 -5.875 -0.832 1.00 0.00 H new ATOM 749 N ALA A 51 -2.392 1.118 1.207 1.00 0.00 N ATOM 750 CA ALA A 51 -1.200 1.490 0.388 1.00 0.00 C ATOM 751 C ALA A 51 -0.205 2.292 1.235 1.00 0.00 C ATOM 752 O ALA A 51 0.946 2.438 0.877 1.00 0.00 O ATOM 753 CB ALA A 51 -1.659 2.346 -0.796 1.00 0.00 C ATOM 0 H ALA A 51 -3.240 1.643 0.991 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.711 0.583 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.796 2.623 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.361 1.777 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.147 3.248 -0.426 1.00 0.00 H new ATOM 759 N ASP A 52 -0.637 2.825 2.345 1.00 0.00 N ATOM 760 CA ASP A 52 0.291 3.633 3.194 1.00 0.00 C ATOM 761 C ASP A 52 1.172 2.722 4.055 1.00 0.00 C ATOM 762 O ASP A 52 2.380 2.846 4.070 1.00 0.00 O ATOM 763 CB ASP A 52 -0.527 4.545 4.110 1.00 0.00 C ATOM 764 CG ASP A 52 0.126 5.926 4.164 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.728 6.313 3.176 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.014 6.573 5.192 1.00 0.00 O ATOM 0 H ASP A 52 -1.589 2.738 2.702 1.00 0.00 H new ATOM 0 HA ASP A 52 0.931 4.227 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.549 4.628 3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.583 4.118 5.111 1.00 0.00 H new ATOM 771 N THR A 53 0.574 1.818 4.781 1.00 0.00 N ATOM 772 CA THR A 53 1.363 0.908 5.656 1.00 0.00 C ATOM 773 C THR A 53 2.242 -0.011 4.804 1.00 0.00 C ATOM 774 O THR A 53 3.058 -0.752 5.317 1.00 0.00 O ATOM 775 CB THR A 53 0.401 0.065 6.497 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.579 -0.519 5.649 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.287 0.953 7.538 1.00 0.00 C ATOM 0 H THR A 53 -0.435 1.670 4.805 1.00 0.00 H new ATOM 0 HA THR A 53 2.004 1.500 6.309 1.00 0.00 H new ATOM 0 HB THR A 53 0.958 -0.721 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.270 0.145 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.971 0.350 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.465 1.400 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.845 1.741 7.032 1.00 0.00 H new ATOM 785 N LEU A 54 2.087 0.028 3.510 1.00 0.00 N ATOM 786 CA LEU A 54 2.919 -0.843 2.638 1.00 0.00 C ATOM 787 C LEU A 54 4.398 -0.516 2.851 1.00 0.00 C ATOM 788 O LEU A 54 5.183 -1.376 3.199 1.00 0.00 O ATOM 789 CB LEU A 54 2.551 -0.594 1.173 1.00 0.00 C ATOM 790 CG LEU A 54 3.185 -1.673 0.294 1.00 0.00 C ATOM 791 CD1 LEU A 54 2.453 -2.999 0.503 1.00 0.00 C ATOM 792 CD2 LEU A 54 3.077 -1.258 -1.174 1.00 0.00 C ATOM 0 H LEU A 54 1.421 0.625 3.020 1.00 0.00 H new ATOM 0 HA LEU A 54 2.738 -1.888 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.468 -0.603 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.898 0.392 0.863 1.00 0.00 H new ATOM 0 HG LEU A 54 4.234 -1.792 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.906 -3.767 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.527 -3.295 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.404 -2.882 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.528 -2.025 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.027 -1.140 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.599 -0.313 -1.324 1.00 0.00 H new ATOM 804 N LYS A 55 4.768 0.727 2.632 1.00 0.00 N ATOM 805 CA LYS A 55 6.192 1.171 2.790 1.00 0.00 C ATOM 806 C LYS A 55 7.161 0.026 2.472 1.00 0.00 C ATOM 807 O LYS A 55 8.239 -0.059 3.028 1.00 0.00 O ATOM 808 CB LYS A 55 6.445 1.707 4.210 1.00 0.00 C ATOM 809 CG LYS A 55 6.114 0.648 5.263 1.00 0.00 C ATOM 810 CD LYS A 55 5.204 1.261 6.331 1.00 0.00 C ATOM 811 CE LYS A 55 5.975 2.329 7.114 1.00 0.00 C ATOM 812 NZ LYS A 55 5.280 2.601 8.404 1.00 0.00 N ATOM 0 H LYS A 55 4.128 1.467 2.344 1.00 0.00 H new ATOM 0 HA LYS A 55 6.370 1.979 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.488 2.009 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.838 2.596 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.621 -0.204 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.030 0.275 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.324 1.703 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.848 0.485 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.994 1.992 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.046 3.245 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.804 3.326 8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.316 2.941 8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.235 1.726 8.965 1.00 0.00 H new ATOM 826 N LYS A 56 6.793 -0.843 1.566 1.00 0.00 N ATOM 827 CA LYS A 56 7.694 -1.971 1.187 1.00 0.00 C ATOM 828 C LYS A 56 8.706 -1.487 0.140 1.00 0.00 C ATOM 829 O LYS A 56 9.098 -2.227 -0.741 1.00 0.00 O ATOM 830 CB LYS A 56 6.858 -3.114 0.599 1.00 0.00 C ATOM 831 CG LYS A 56 7.449 -4.461 1.026 1.00 0.00 C ATOM 832 CD LYS A 56 6.366 -5.541 0.946 1.00 0.00 C ATOM 833 CE LYS A 56 6.520 -6.325 -0.360 1.00 0.00 C ATOM 834 NZ LYS A 56 6.073 -7.731 -0.148 1.00 0.00 N ATOM 0 H LYS A 56 5.902 -0.819 1.070 1.00 0.00 H new ATOM 0 HA LYS A 56 8.226 -2.325 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.826 -3.035 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.841 -3.042 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.288 -4.723 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.837 -4.394 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.447 -6.215 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.378 -5.084 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.930 -5.859 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.560 -6.308 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.177 -8.266 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.655 -8.172 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.075 -7.738 0.145 1.00 0.00 H new ATOM 848 N ASP A 57 9.118 -0.249 0.216 1.00 0.00 N ATOM 849 CA ASP A 57 10.082 0.281 -0.787 1.00 0.00 C ATOM 850 C ASP A 57 9.330 0.580 -2.084 1.00 0.00 C ATOM 851 O ASP A 57 9.853 0.424 -3.169 1.00 0.00 O ATOM 852 CB ASP A 57 11.179 -0.752 -1.054 1.00 0.00 C ATOM 853 CG ASP A 57 12.387 -0.058 -1.687 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.583 1.114 -1.411 1.00 0.00 O ATOM 855 OD2 ASP A 57 13.095 -0.710 -2.437 1.00 0.00 O ATOM 0 H ASP A 57 8.827 0.417 0.931 1.00 0.00 H new ATOM 0 HA ASP A 57 10.543 1.192 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.471 -1.237 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.805 -1.533 -1.717 1.00 0.00 H new ATOM 860 N ASN A 58 8.100 1.011 -1.978 1.00 0.00 N ATOM 861 CA ASN A 58 7.307 1.320 -3.201 1.00 0.00 C ATOM 862 C ASN A 58 7.694 2.706 -3.729 1.00 0.00 C ATOM 863 O ASN A 58 7.701 2.943 -4.921 1.00 0.00 O ATOM 864 CB ASN A 58 5.808 1.288 -2.887 1.00 0.00 C ATOM 865 CG ASN A 58 5.545 0.455 -1.626 1.00 0.00 C ATOM 866 OD1 ASN A 58 5.902 -0.704 -1.564 1.00 0.00 O ATOM 867 ND2 ASN A 58 4.926 1.001 -0.612 1.00 0.00 N ATOM 0 H ASN A 58 7.611 1.162 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 58 7.523 0.568 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.438 2.303 -2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.262 0.866 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.744 0.454 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.625 1.974 -0.662 1.00 0.00 H new ATOM 874 N GLY A 59 8.029 3.622 -2.857 1.00 0.00 N ATOM 875 CA GLY A 59 8.426 4.983 -3.326 1.00 0.00 C ATOM 876 C GLY A 59 7.262 5.957 -3.158 1.00 0.00 C ATOM 877 O GLY A 59 7.094 6.883 -3.928 1.00 0.00 O ATOM 0 H GLY A 59 8.045 3.488 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.289 5.334 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.727 4.942 -4.373 1.00 0.00 H new ATOM 881 N GLU A 60 6.459 5.753 -2.161 1.00 0.00 N ATOM 882 CA GLU A 60 5.301 6.659 -1.935 1.00 0.00 C ATOM 883 C GLU A 60 4.381 6.600 -3.148 1.00 0.00 C ATOM 884 O GLU A 60 4.742 6.089 -4.188 1.00 0.00 O ATOM 885 CB GLU A 60 5.794 8.094 -1.742 1.00 0.00 C ATOM 886 CG GLU A 60 6.408 8.246 -0.350 1.00 0.00 C ATOM 887 CD GLU A 60 6.577 9.731 -0.025 1.00 0.00 C ATOM 888 OE1 GLU A 60 7.309 10.394 -0.741 1.00 0.00 O ATOM 889 OE2 GLU A 60 5.968 10.182 0.932 1.00 0.00 O ATOM 0 H GLU A 60 6.552 4.994 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 60 4.761 6.344 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.533 8.340 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.966 8.792 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.769 7.771 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.374 7.742 -0.310 1.00 0.00 H new ATOM 896 N TYR A 61 3.193 7.115 -3.028 1.00 0.00 N ATOM 897 CA TYR A 61 2.257 7.077 -4.183 1.00 0.00 C ATOM 898 C TYR A 61 1.202 8.167 -4.063 1.00 0.00 C ATOM 899 O TYR A 61 1.065 8.821 -3.048 1.00 0.00 O ATOM 900 CB TYR A 61 1.539 5.732 -4.211 1.00 0.00 C ATOM 901 CG TYR A 61 0.924 5.478 -2.864 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.697 4.906 -1.855 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.410 5.814 -2.626 1.00 0.00 C ATOM 904 CE1 TYR A 61 1.143 4.670 -0.604 1.00 0.00 C ATOM 905 CE2 TYR A 61 -0.973 5.577 -1.371 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.196 5.003 -0.354 1.00 0.00 C ATOM 907 OH TYR A 61 -0.749 4.772 0.888 1.00 0.00 O ATOM 0 H TYR A 61 2.830 7.559 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 61 2.838 7.229 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.769 5.732 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.240 4.936 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.728 4.646 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.005 6.256 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.744 4.229 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.005 5.835 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.685 5.062 0.888 1.00 0.00 H new ATOM 917 N THR A 62 0.435 8.333 -5.100 1.00 0.00 N ATOM 918 CA THR A 62 -0.654 9.343 -5.088 1.00 0.00 C ATOM 919 C THR A 62 -1.976 8.616 -5.341 1.00 0.00 C ATOM 920 O THR A 62 -2.046 7.712 -6.149 1.00 0.00 O ATOM 921 CB THR A 62 -0.416 10.374 -6.193 1.00 0.00 C ATOM 922 OG1 THR A 62 -0.533 9.743 -7.461 1.00 0.00 O ATOM 923 CG2 THR A 62 0.985 10.970 -6.045 1.00 0.00 C ATOM 0 H THR A 62 0.518 7.804 -5.968 1.00 0.00 H new ATOM 0 HA THR A 62 -0.680 9.859 -4.128 1.00 0.00 H new ATOM 0 HB THR A 62 -1.157 11.170 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.382 10.403 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.153 11.704 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.073 11.454 -5.073 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.728 10.177 -6.124 1.00 0.00 H new ATOM 931 N VAL A 63 -3.021 8.986 -4.657 1.00 0.00 N ATOM 932 CA VAL A 63 -4.320 8.291 -4.871 1.00 0.00 C ATOM 933 C VAL A 63 -4.980 8.837 -6.142 1.00 0.00 C ATOM 934 O VAL A 63 -5.020 10.029 -6.374 1.00 0.00 O ATOM 935 CB VAL A 63 -5.217 8.504 -3.637 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.686 8.688 -4.041 1.00 0.00 C ATOM 937 CG2 VAL A 63 -5.105 7.284 -2.722 1.00 0.00 C ATOM 0 H VAL A 63 -3.033 9.734 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.164 7.220 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.884 9.405 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.293 8.836 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.778 9.558 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.031 7.801 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.737 7.427 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.428 6.394 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.069 7.160 -2.406 1.00 0.00 H new ATOM 947 N ASP A 64 -5.498 7.968 -6.965 1.00 0.00 N ATOM 948 CA ASP A 64 -6.154 8.416 -8.214 1.00 0.00 C ATOM 949 C ASP A 64 -7.663 8.260 -8.062 1.00 0.00 C ATOM 950 O ASP A 64 -8.144 7.319 -7.467 1.00 0.00 O ATOM 951 CB ASP A 64 -5.671 7.554 -9.381 1.00 0.00 C ATOM 952 CG ASP A 64 -4.328 8.082 -9.890 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.431 8.245 -9.078 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.217 8.312 -11.082 1.00 0.00 O ATOM 0 H ASP A 64 -5.492 6.958 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.906 9.459 -8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.568 6.517 -9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.407 7.568 -10.185 1.00 0.00 H new ATOM 959 N VAL A 65 -8.407 9.177 -8.596 1.00 0.00 N ATOM 960 CA VAL A 65 -9.891 9.095 -8.491 1.00 0.00 C ATOM 961 C VAL A 65 -10.455 8.499 -9.785 1.00 0.00 C ATOM 962 O VAL A 65 -10.283 9.045 -10.857 1.00 0.00 O ATOM 963 CB VAL A 65 -10.465 10.502 -8.265 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.944 10.541 -8.665 1.00 0.00 C ATOM 965 CG2 VAL A 65 -10.335 10.866 -6.784 1.00 0.00 C ATOM 0 H VAL A 65 -8.054 9.987 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.169 8.458 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.912 11.215 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.339 11.543 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.043 10.281 -9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.503 9.827 -8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.741 11.864 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.888 10.145 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.284 10.849 -6.496 1.00 0.00 H new ATOM 975 N ALA A 66 -11.130 7.385 -9.693 1.00 0.00 N ATOM 976 CA ALA A 66 -11.703 6.760 -10.919 1.00 0.00 C ATOM 977 C ALA A 66 -12.845 5.815 -10.531 1.00 0.00 C ATOM 978 O ALA A 66 -12.912 5.329 -9.420 1.00 0.00 O ATOM 979 CB ALA A 66 -10.610 5.976 -11.645 1.00 0.00 C ATOM 0 H ALA A 66 -11.309 6.882 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.091 7.538 -11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.026 5.518 -12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.802 6.652 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.222 5.199 -10.987 1.00 0.00 H new ATOM 985 N ASP A 67 -13.745 5.552 -11.441 1.00 0.00 N ATOM 986 CA ASP A 67 -14.883 4.640 -11.130 1.00 0.00 C ATOM 987 C ASP A 67 -15.902 5.357 -10.245 1.00 0.00 C ATOM 988 O ASP A 67 -16.796 4.744 -9.700 1.00 0.00 O ATOM 989 CB ASP A 67 -14.365 3.402 -10.415 1.00 0.00 C ATOM 990 CG ASP A 67 -15.306 2.224 -10.677 1.00 0.00 C ATOM 991 OD1 ASP A 67 -15.870 2.171 -11.758 1.00 0.00 O ATOM 992 OD2 ASP A 67 -15.445 1.394 -9.792 1.00 0.00 O ATOM 0 H ASP A 67 -13.741 5.931 -12.388 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.367 4.345 -12.061 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.361 3.162 -10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.294 3.592 -9.344 1.00 0.00 H new ATOM 997 N LYS A 68 -15.773 6.650 -10.111 1.00 0.00 N ATOM 998 CA LYS A 68 -16.727 7.443 -9.273 1.00 0.00 C ATOM 999 C LYS A 68 -16.265 7.447 -7.810 1.00 0.00 C ATOM 1000 O LYS A 68 -17.052 7.609 -6.900 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.155 6.868 -9.405 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.515 5.961 -8.217 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.697 5.068 -8.609 1.00 0.00 C ATOM 1004 CE LYS A 68 -19.412 3.622 -8.203 1.00 0.00 C ATOM 1005 NZ LYS A 68 -19.361 3.523 -6.718 1.00 0.00 N ATOM 0 H LYS A 68 -15.037 7.201 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.743 8.474 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.872 7.686 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.235 6.301 -10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.657 5.349 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.772 6.565 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.607 5.419 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.868 5.126 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.187 2.964 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.466 3.292 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.736 2.738 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.993 4.412 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.318 3.350 -6.349 1.00 0.00 H new ATOM 1019 N GLY A 69 -14.991 7.286 -7.579 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.486 7.295 -6.177 1.00 0.00 C ATOM 1021 C GLY A 69 -14.684 5.914 -5.550 1.00 0.00 C ATOM 1022 O GLY A 69 -14.823 5.783 -4.350 1.00 0.00 O ATOM 0 H GLY A 69 -14.280 7.149 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.430 7.564 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.015 8.049 -5.594 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.697 4.884 -6.351 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.884 3.524 -5.804 1.00 0.00 C ATOM 1028 C TYR A 70 -13.697 2.642 -6.195 1.00 0.00 C ATOM 1029 O TYR A 70 -13.535 1.547 -5.698 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.176 2.935 -6.351 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.877 2.159 -5.261 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.951 2.686 -3.964 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.448 0.911 -5.544 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.594 1.968 -2.955 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -18.093 0.192 -4.533 1.00 0.00 C ATOM 1036 CZ TYR A 70 -18.167 0.717 -3.241 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.800 -0.004 -2.257 1.00 0.00 O ATOM 0 H TYR A 70 -14.585 4.933 -7.364 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.943 3.572 -4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.823 3.731 -6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.961 2.282 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.510 3.648 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -17.390 0.505 -6.543 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.651 2.373 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.534 -0.769 -4.751 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.493 0.550 -1.840 1.00 0.00 H new ATOM 1047 N THR A 71 -12.856 3.112 -7.073 1.00 0.00 N ATOM 1048 CA THR A 71 -11.675 2.299 -7.481 1.00 0.00 C ATOM 1049 C THR A 71 -10.464 3.215 -7.625 1.00 0.00 C ATOM 1050 O THR A 71 -9.954 3.433 -8.707 1.00 0.00 O ATOM 1051 CB THR A 71 -11.959 1.605 -8.811 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.945 0.601 -8.618 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.674 0.969 -9.344 1.00 0.00 C ATOM 0 H THR A 71 -12.934 4.023 -7.526 1.00 0.00 H new ATOM 0 HA THR A 71 -11.473 1.542 -6.723 1.00 0.00 H new ATOM 0 HB THR A 71 -12.323 2.337 -9.532 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.785 0.883 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.879 0.474 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.920 1.742 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.305 0.237 -8.626 1.00 0.00 H new ATOM 1061 N LEU A 72 -10.012 3.760 -6.536 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.842 4.678 -6.580 1.00 0.00 C ATOM 1063 C LEU A 72 -7.567 3.902 -6.929 1.00 0.00 C ATOM 1064 O LEU A 72 -7.149 3.020 -6.205 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.671 5.326 -5.205 1.00 0.00 C ATOM 1066 CG LEU A 72 -8.723 4.240 -4.128 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.333 4.066 -3.515 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -9.711 4.651 -3.035 1.00 0.00 C ATOM 0 H LEU A 72 -10.405 3.609 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.013 5.439 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.721 5.859 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.458 6.061 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.046 3.300 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.368 3.293 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.627 3.774 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.012 5.007 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.748 3.877 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.388 5.591 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.702 4.778 -3.470 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.933 4.238 -8.020 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.674 3.534 -8.396 1.00 0.00 C ATOM 1082 C ASN A 73 -4.516 4.163 -7.627 1.00 0.00 C ATOM 1083 O ASN A 73 -4.236 5.338 -7.754 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.432 3.671 -9.894 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.638 3.120 -10.656 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -7.399 2.228 -10.083 1.00 0.00 O flip ATOM 1087 ND2 ASN A 73 -6.889 3.502 -11.780 1.00 0.00 N flip ATOM 0 H ASN A 73 -7.232 4.968 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.754 2.475 -8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.271 4.717 -10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.530 3.130 -10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.293 4.199 -12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.696 3.126 -12.278 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.856 3.394 -6.812 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.731 3.948 -6.013 1.00 0.00 C ATOM 1096 C ILE A 74 -1.406 3.722 -6.747 1.00 0.00 C ATOM 1097 O ILE A 74 -0.637 2.846 -6.406 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.704 3.252 -4.654 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.863 3.779 -3.806 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.377 3.540 -3.948 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.559 2.613 -3.101 1.00 0.00 C ATOM 0 H ILE A 74 -4.047 2.403 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.870 5.020 -5.874 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.804 2.175 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.493 4.492 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.575 4.312 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.364 3.041 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.553 3.170 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.267 4.615 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.384 2.993 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.944 1.916 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.845 2.099 -2.457 1.00 0.00 H new ATOM 1113 N LYS A 75 -1.125 4.519 -7.743 1.00 0.00 N ATOM 1114 CA LYS A 75 0.154 4.365 -8.486 1.00 0.00 C ATOM 1115 C LYS A 75 1.267 5.009 -7.666 1.00 0.00 C ATOM 1116 O LYS A 75 1.157 6.141 -7.243 1.00 0.00 O ATOM 1117 CB LYS A 75 0.054 5.076 -9.833 1.00 0.00 C ATOM 1118 CG LYS A 75 0.720 4.226 -10.915 1.00 0.00 C ATOM 1119 CD LYS A 75 -0.357 3.632 -11.824 1.00 0.00 C ATOM 1120 CE LYS A 75 -0.003 3.912 -13.284 1.00 0.00 C ATOM 1121 NZ LYS A 75 -0.994 3.241 -14.170 1.00 0.00 N ATOM 0 H LYS A 75 -1.729 5.271 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 75 0.363 3.308 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.992 5.250 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.535 6.052 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.410 4.835 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.307 3.429 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.436 2.558 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.329 4.064 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.001 4.986 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.001 3.549 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.755 3.430 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.975 2.215 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.946 3.608 -13.967 1.00 0.00 H new ATOM 1135 N PHE A 76 2.339 4.309 -7.435 1.00 0.00 N ATOM 1136 CA PHE A 76 3.437 4.916 -6.638 1.00 0.00 C ATOM 1137 C PHE A 76 4.355 5.704 -7.571 1.00 0.00 C ATOM 1138 O PHE A 76 3.985 6.033 -8.682 1.00 0.00 O ATOM 1139 CB PHE A 76 4.239 3.833 -5.890 1.00 0.00 C ATOM 1140 CG PHE A 76 3.331 3.000 -5.010 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.406 2.114 -5.572 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.427 3.116 -3.617 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.578 1.347 -4.744 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.599 2.349 -2.789 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.674 1.465 -3.354 1.00 0.00 C ATOM 0 H PHE A 76 2.502 3.355 -7.758 1.00 0.00 H new ATOM 0 HA PHE A 76 3.007 5.586 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.746 3.189 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.012 4.302 -5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.331 2.022 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.141 3.799 -3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.864 0.663 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.674 2.440 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.034 0.873 -2.716 1.00 0.00 H new ATOM 1155 N ALA A 77 5.533 6.028 -7.120 1.00 0.00 N ATOM 1156 CA ALA A 77 6.477 6.818 -7.964 1.00 0.00 C ATOM 1157 C ALA A 77 6.388 6.362 -9.423 1.00 0.00 C ATOM 1158 O ALA A 77 5.938 7.093 -10.283 1.00 0.00 O ATOM 1159 CB ALA A 77 7.905 6.617 -7.456 1.00 0.00 C ATOM 0 H ALA A 77 5.887 5.779 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 77 6.209 7.873 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.595 7.194 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.974 6.954 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.166 5.560 -7.512 1.00 0.00 H new ATOM 1165 N GLY A 78 6.812 5.164 -9.714 1.00 0.00 N ATOM 1166 CA GLY A 78 6.744 4.680 -11.123 1.00 0.00 C ATOM 1167 C GLY A 78 8.128 4.787 -11.766 1.00 0.00 C ATOM 1168 O GLY A 78 8.695 5.866 -11.729 1.00 0.00 O ATOM 1169 OXT GLY A 78 8.600 3.786 -12.279 1.00 0.00 O ATOM 0 H GLY A 78 7.201 4.502 -9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.399 3.646 -11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.022 5.271 -11.687 1.00 0.00 H new TER 1173 GLY A 78