USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 82 LYS NZ :NH3+ -157:sc= -0.086 (180deg=-0.741) USER MOD Set 1.2: A 88 GLN : amide:sc= 0 X(o=-0.086,f=-0.19) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 179:sc= 0.33 (180deg=0.329) USER MOD Set 2.2: A 48 MET CE :methyl 152:sc= -0.288 (180deg=-1.96!) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.811 K(o=-0.81,f=-3.3!) USER MOD Set 3.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 GLN : amide:sc= 0.408 K(o=0.91,f=1.9) USER MOD Set 4.2: A 20 GLN : amide:sc= -0.204 K(o=0.91,f=1.9) USER MOD Set 4.3: A 55 GLN : amide:sc= 0.704 K(o=0.91,f=1.9) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0 (180deg=-0.309) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.3 K(o=0.3,f=-6.2!) USER MOD Single : A 12 ASN : amide:sc= -0.393 K(o=-0.39,f=-2.7!) USER MOD Single : A 13 ASN : amide:sc= -0.708 K(o=-0.71,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.12) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.88 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -76:sc= -0.487! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 38 ASN : amide:sc= -2.15 K(o=-2.1,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 112:sc= -3.33! USER MOD Single : A 63 SER OG : rot 95:sc= 0.00197 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.052) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.667 -6.739 -32.714 1.00 0.00 N ATOM 2 CA GLY A 1 -18.386 -7.672 -31.803 1.00 0.00 C ATOM 3 C GLY A 1 -19.476 -6.979 -31.007 1.00 0.00 C ATOM 4 O GLY A 1 -19.303 -6.712 -29.819 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.686 -7.062 -32.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.144 -6.719 -33.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.667 -5.784 -32.303 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.825 -8.480 -32.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.672 -8.127 -31.116 1.00 0.00 H new ATOM 10 N PRO A 2 -20.622 -6.672 -31.641 1.00 0.00 N ATOM 11 CA PRO A 2 -21.737 -6.002 -30.968 1.00 0.00 C ATOM 12 C PRO A 2 -22.482 -6.932 -30.019 1.00 0.00 C ATOM 13 O PRO A 2 -23.310 -7.738 -30.444 1.00 0.00 O ATOM 14 CB PRO A 2 -22.640 -5.578 -32.126 1.00 0.00 C ATOM 15 CG PRO A 2 -22.369 -6.574 -33.198 1.00 0.00 C ATOM 16 CD PRO A 2 -20.917 -6.952 -33.060 1.00 0.00 C ATOM 0 HA PRO A 2 -21.403 -5.173 -30.345 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -23.690 -5.586 -31.833 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.410 -4.566 -32.458 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -23.011 -7.448 -33.089 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.570 -6.151 -34.182 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -20.750 -8.001 -33.305 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -20.284 -6.364 -33.725 1.00 0.00 H new ATOM 24 N LEU A 3 -22.183 -6.814 -28.729 1.00 0.00 N ATOM 25 CA LEU A 3 -22.826 -7.643 -27.717 1.00 0.00 C ATOM 26 C LEU A 3 -24.288 -7.253 -27.549 1.00 0.00 C ATOM 27 O LEU A 3 -24.696 -6.154 -27.928 1.00 0.00 O ATOM 28 CB LEU A 3 -22.097 -7.515 -26.377 1.00 0.00 C ATOM 29 CG LEU A 3 -20.639 -7.981 -26.379 1.00 0.00 C ATOM 30 CD1 LEU A 3 -19.700 -6.796 -26.552 1.00 0.00 C ATOM 31 CD2 LEU A 3 -20.318 -8.735 -25.098 1.00 0.00 C ATOM 0 H LEU A 3 -21.500 -6.152 -28.361 1.00 0.00 H new ATOM 0 HA LEU A 3 -22.777 -8.680 -28.050 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.127 -6.471 -26.064 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -22.644 -8.089 -25.628 1.00 0.00 H new ATOM 0 HG LEU A 3 -20.496 -8.658 -27.221 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.668 -7.146 -26.551 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -19.913 -6.298 -27.498 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -19.845 -6.094 -25.731 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -19.277 -9.059 -25.117 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -20.479 -8.081 -24.241 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -20.967 -9.607 -25.016 1.00 0.00 H new ATOM 43 N GLY A 4 -25.074 -8.156 -26.975 1.00 0.00 N ATOM 44 CA GLY A 4 -26.481 -7.884 -26.763 1.00 0.00 C ATOM 45 C GLY A 4 -26.782 -7.512 -25.327 1.00 0.00 C ATOM 46 O GLY A 4 -27.540 -8.201 -24.649 1.00 0.00 O ATOM 0 H GLY A 4 -24.761 -9.072 -26.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.795 -7.073 -27.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.065 -8.762 -27.039 1.00 0.00 H new ATOM 50 N SER A 5 -26.183 -6.419 -24.863 1.00 0.00 N ATOM 51 CA SER A 5 -26.388 -5.955 -23.496 1.00 0.00 C ATOM 52 C SER A 5 -27.754 -5.289 -23.347 1.00 0.00 C ATOM 53 O SER A 5 -27.962 -4.175 -23.830 1.00 0.00 O ATOM 54 CB SER A 5 -25.287 -4.967 -23.104 1.00 0.00 C ATOM 55 OG SER A 5 -24.153 -5.643 -22.587 1.00 0.00 O ATOM 0 H SER A 5 -25.551 -5.838 -25.415 1.00 0.00 H new ATOM 0 HA SER A 5 -26.349 -6.820 -22.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.997 -4.377 -23.974 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.669 -4.269 -22.359 1.00 0.00 H new ATOM 0 HG SER A 5 -23.464 -4.989 -22.346 1.00 0.00 H new ATOM 61 N PRO A 6 -28.709 -5.954 -22.672 1.00 0.00 N ATOM 62 CA PRO A 6 -30.047 -5.400 -22.467 1.00 0.00 C ATOM 63 C PRO A 6 -30.028 -4.233 -21.493 1.00 0.00 C ATOM 64 O PRO A 6 -29.199 -4.187 -20.584 1.00 0.00 O ATOM 65 CB PRO A 6 -30.835 -6.574 -21.882 1.00 0.00 C ATOM 66 CG PRO A 6 -29.807 -7.424 -21.220 1.00 0.00 C ATOM 67 CD PRO A 6 -28.560 -7.284 -22.049 1.00 0.00 C ATOM 0 HA PRO A 6 -30.477 -5.005 -23.388 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -31.585 -6.232 -21.169 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -31.363 -7.124 -22.661 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -29.633 -7.099 -20.194 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -30.131 -8.464 -21.174 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -27.661 -7.341 -21.435 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.485 -8.072 -22.798 1.00 0.00 H new ATOM 75 N ARG A 7 -30.946 -3.292 -21.676 1.00 0.00 N ATOM 76 CA ARG A 7 -31.025 -2.130 -20.800 1.00 0.00 C ATOM 77 C ARG A 7 -31.774 -2.465 -19.509 1.00 0.00 C ATOM 78 O ARG A 7 -32.350 -1.585 -18.869 1.00 0.00 O ATOM 79 CB ARG A 7 -31.711 -0.967 -21.521 1.00 0.00 C ATOM 80 CG ARG A 7 -31.008 0.369 -21.328 1.00 0.00 C ATOM 81 CD ARG A 7 -31.923 1.536 -21.660 1.00 0.00 C ATOM 82 NE ARG A 7 -31.257 2.539 -22.493 1.00 0.00 N ATOM 83 CZ ARG A 7 -30.939 2.348 -23.773 1.00 0.00 C ATOM 84 NH1 ARG A 7 -31.212 1.195 -24.368 1.00 0.00 N ATOM 85 NH2 ARG A 7 -30.343 3.315 -24.458 1.00 0.00 N ATOM 0 H ARG A 7 -31.644 -3.310 -22.420 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.009 -1.835 -20.538 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.762 -1.191 -22.587 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -32.737 -0.883 -21.163 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -30.667 0.456 -20.296 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -30.122 0.409 -21.961 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -32.808 1.166 -22.177 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -32.265 2.002 -20.736 1.00 0.00 H new ATOM 0 HE ARG A 7 -31.023 3.437 -22.069 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -31.668 0.447 -23.846 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -30.966 1.056 -25.348 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -30.129 4.203 -24.005 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -30.099 3.170 -25.438 1.00 0.00 H new ATOM 99 N ASN A 8 -31.756 -3.741 -19.130 1.00 0.00 N ATOM 100 CA ASN A 8 -32.426 -4.193 -17.918 1.00 0.00 C ATOM 101 C ASN A 8 -31.524 -4.012 -16.702 1.00 0.00 C ATOM 102 O ASN A 8 -30.305 -3.896 -16.835 1.00 0.00 O ATOM 103 CB ASN A 8 -32.828 -5.664 -18.060 1.00 0.00 C ATOM 104 CG ASN A 8 -34.329 -5.846 -18.167 1.00 0.00 C ATOM 105 OD1 ASN A 8 -34.945 -6.517 -17.340 1.00 0.00 O ATOM 106 ND2 ASN A 8 -34.924 -5.246 -19.190 1.00 0.00 N ATOM 0 H ASN A 8 -31.282 -4.481 -19.648 1.00 0.00 H new ATOM 0 HA ASN A 8 -33.322 -3.589 -17.774 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -32.350 -6.085 -18.945 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -32.457 -6.223 -17.201 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -35.933 -5.331 -19.315 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -34.373 -4.699 -19.852 1.00 0.00 H new ATOM 113 N ALA A 9 -32.127 -3.992 -15.520 1.00 0.00 N ATOM 114 CA ALA A 9 -31.376 -3.829 -14.282 1.00 0.00 C ATOM 115 C ALA A 9 -30.582 -5.087 -13.957 1.00 0.00 C ATOM 116 O ALA A 9 -31.120 -6.049 -13.409 1.00 0.00 O ATOM 117 CB ALA A 9 -32.313 -3.483 -13.136 1.00 0.00 C ATOM 0 H ALA A 9 -33.135 -4.087 -15.393 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.671 -3.009 -14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -31.737 -3.364 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -32.834 -2.552 -13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -33.041 -4.284 -13.007 1.00 0.00 H new ATOM 123 N ASN A 10 -29.299 -5.077 -14.302 1.00 0.00 N ATOM 124 CA ASN A 10 -28.432 -6.220 -14.048 1.00 0.00 C ATOM 125 C ASN A 10 -27.499 -5.948 -12.873 1.00 0.00 C ATOM 126 O ASN A 10 -26.732 -4.984 -12.885 1.00 0.00 O ATOM 127 CB ASN A 10 -27.616 -6.551 -15.298 1.00 0.00 C ATOM 128 CG ASN A 10 -26.764 -5.384 -15.758 1.00 0.00 C ATOM 129 OD1 ASN A 10 -27.142 -4.223 -15.597 1.00 0.00 O ATOM 130 ND2 ASN A 10 -25.607 -5.687 -16.332 1.00 0.00 N ATOM 0 H ASN A 10 -28.837 -4.290 -14.758 1.00 0.00 H new ATOM 0 HA ASN A 10 -29.061 -7.073 -13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -26.974 -7.408 -15.093 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -28.291 -6.844 -16.102 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.991 -4.944 -16.660 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -25.334 -6.663 -16.445 1.00 0.00 H new ATOM 137 N ASP A 11 -27.568 -6.806 -11.860 1.00 0.00 N ATOM 138 CA ASP A 11 -26.730 -6.664 -10.676 1.00 0.00 C ATOM 139 C ASP A 11 -25.464 -7.501 -10.808 1.00 0.00 C ATOM 140 O ASP A 11 -25.520 -8.731 -10.811 1.00 0.00 O ATOM 141 CB ASP A 11 -27.502 -7.083 -9.424 1.00 0.00 C ATOM 142 CG ASP A 11 -28.420 -5.989 -8.916 1.00 0.00 C ATOM 143 OD1 ASP A 11 -28.872 -5.164 -9.738 1.00 0.00 O ATOM 144 OD2 ASP A 11 -28.688 -5.957 -7.696 1.00 0.00 O ATOM 0 H ASP A 11 -28.197 -7.608 -11.836 1.00 0.00 H new ATOM 0 HA ASP A 11 -26.447 -5.615 -10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -28.091 -7.973 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.796 -7.354 -8.639 1.00 0.00 H new ATOM 149 N ASN A 12 -24.324 -6.829 -10.918 1.00 0.00 N ATOM 150 CA ASN A 12 -23.046 -7.515 -11.052 1.00 0.00 C ATOM 151 C ASN A 12 -22.603 -8.103 -9.717 1.00 0.00 C ATOM 152 O ASN A 12 -23.213 -7.847 -8.678 1.00 0.00 O ATOM 153 CB ASN A 12 -21.981 -6.557 -11.587 1.00 0.00 C ATOM 154 CG ASN A 12 -21.572 -6.886 -13.009 1.00 0.00 C ATOM 155 OD1 ASN A 12 -21.850 -7.975 -13.511 1.00 0.00 O ATOM 156 ND2 ASN A 12 -20.907 -5.945 -13.668 1.00 0.00 N ATOM 0 H ASN A 12 -24.259 -5.811 -10.917 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.172 -8.333 -11.762 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -22.361 -5.536 -11.548 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -21.104 -6.595 -10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.606 -6.111 -14.628 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.697 -5.056 -13.214 1.00 0.00 H new ATOM 163 N ASN A 13 -21.539 -8.896 -9.755 1.00 0.00 N ATOM 164 CA ASN A 13 -21.010 -9.525 -8.552 1.00 0.00 C ATOM 165 C ASN A 13 -20.182 -8.538 -7.735 1.00 0.00 C ATOM 166 O ASN A 13 -19.779 -7.487 -8.234 1.00 0.00 O ATOM 167 CB ASN A 13 -20.160 -10.737 -8.929 1.00 0.00 C ATOM 168 CG ASN A 13 -20.228 -11.838 -7.892 1.00 0.00 C ATOM 169 OD1 ASN A 13 -21.077 -12.727 -7.964 1.00 0.00 O ATOM 170 ND2 ASN A 13 -19.326 -11.784 -6.921 1.00 0.00 N ATOM 0 H ASN A 13 -21.025 -9.119 -10.608 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.850 -9.851 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.495 -11.127 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -19.123 -10.425 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.317 -12.498 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.641 -11.028 -6.902 1.00 0.00 H new ATOM 177 N GLN A 14 -19.931 -8.883 -6.474 1.00 0.00 N ATOM 178 CA GLN A 14 -19.151 -8.026 -5.586 1.00 0.00 C ATOM 179 C GLN A 14 -17.667 -8.363 -5.660 1.00 0.00 C ATOM 180 O GLN A 14 -16.831 -7.483 -5.869 1.00 0.00 O ATOM 181 CB GLN A 14 -19.642 -8.168 -4.145 1.00 0.00 C ATOM 182 CG GLN A 14 -19.521 -6.887 -3.334 1.00 0.00 C ATOM 183 CD GLN A 14 -20.862 -6.232 -3.075 1.00 0.00 C ATOM 184 OE1 GLN A 14 -21.020 -5.023 -3.249 1.00 0.00 O ATOM 185 NE2 GLN A 14 -21.839 -7.027 -2.654 1.00 0.00 N ATOM 0 H GLN A 14 -20.256 -9.749 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 14 -19.287 -6.995 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -20.685 -8.486 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.073 -8.956 -3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -19.039 -7.109 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.875 -6.186 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -21.665 -8.023 -2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -22.763 -6.641 -2.462 1.00 0.00 H new ATOM 194 N PHE A 15 -17.344 -9.641 -5.486 1.00 0.00 N ATOM 195 CA PHE A 15 -15.960 -10.095 -5.531 1.00 0.00 C ATOM 196 C PHE A 15 -15.523 -10.417 -6.962 1.00 0.00 C ATOM 197 O PHE A 15 -14.690 -11.296 -7.178 1.00 0.00 O ATOM 198 CB PHE A 15 -15.777 -11.333 -4.649 1.00 0.00 C ATOM 199 CG PHE A 15 -16.443 -11.229 -3.305 1.00 0.00 C ATOM 200 CD1 PHE A 15 -15.958 -10.358 -2.343 1.00 0.00 C ATOM 201 CD2 PHE A 15 -17.550 -12.006 -3.003 1.00 0.00 C ATOM 202 CE1 PHE A 15 -16.566 -10.264 -1.104 1.00 0.00 C ATOM 203 CE2 PHE A 15 -18.163 -11.915 -1.768 1.00 0.00 C ATOM 204 CZ PHE A 15 -17.670 -11.044 -0.817 1.00 0.00 C ATOM 0 H PHE A 15 -18.024 -10.381 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 15 -15.336 -9.284 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.174 -12.202 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -14.711 -11.508 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.096 -9.746 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -17.938 -12.691 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.178 -9.582 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.027 -12.524 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 15 -18.146 -10.972 0.150 1.00 0.00 H new ATOM 214 N TYR A 16 -16.085 -9.704 -7.937 1.00 0.00 N ATOM 215 CA TYR A 16 -15.742 -9.926 -9.337 1.00 0.00 C ATOM 216 C TYR A 16 -14.447 -9.212 -9.700 1.00 0.00 C ATOM 217 O TYR A 16 -13.615 -9.750 -10.430 1.00 0.00 O ATOM 218 CB TYR A 16 -16.865 -9.440 -10.252 1.00 0.00 C ATOM 219 CG TYR A 16 -16.756 -9.960 -11.667 1.00 0.00 C ATOM 220 CD1 TYR A 16 -17.040 -11.287 -11.963 1.00 0.00 C ATOM 221 CD2 TYR A 16 -16.366 -9.124 -12.706 1.00 0.00 C ATOM 222 CE1 TYR A 16 -16.939 -11.767 -13.255 1.00 0.00 C ATOM 223 CE2 TYR A 16 -16.263 -9.596 -14.001 1.00 0.00 C ATOM 224 CZ TYR A 16 -16.551 -10.918 -14.270 1.00 0.00 C ATOM 225 OH TYR A 16 -16.448 -11.392 -15.557 1.00 0.00 O ATOM 0 H TYR A 16 -16.777 -8.971 -7.782 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.605 -10.998 -9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.823 -9.747 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -16.861 -8.350 -10.272 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.345 -11.955 -11.171 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -16.140 -8.089 -12.498 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -17.163 -12.802 -13.469 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.959 -8.934 -14.798 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.165 -10.666 -16.151 1.00 0.00 H new ATOM 235 N GLN A 17 -14.281 -7.998 -9.187 1.00 0.00 N ATOM 236 CA GLN A 17 -13.084 -7.212 -9.460 1.00 0.00 C ATOM 237 C GLN A 17 -11.907 -7.694 -8.615 1.00 0.00 C ATOM 238 O GLN A 17 -11.167 -6.890 -8.052 1.00 0.00 O ATOM 239 CB GLN A 17 -13.352 -5.728 -9.189 1.00 0.00 C ATOM 240 CG GLN A 17 -14.636 -5.216 -9.822 1.00 0.00 C ATOM 241 CD GLN A 17 -14.433 -3.929 -10.600 1.00 0.00 C ATOM 242 OE1 GLN A 17 -14.381 -2.844 -10.023 1.00 0.00 O ATOM 243 NE2 GLN A 17 -14.317 -4.047 -11.918 1.00 0.00 N ATOM 0 H GLN A 17 -14.960 -7.537 -8.581 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.826 -7.342 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.398 -5.566 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.513 -5.142 -9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.037 -5.979 -10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.380 -5.051 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.366 -4.968 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.179 -3.217 -12.494 1.00 0.00 H new ATOM 252 N GLN A 18 -11.738 -9.012 -8.534 1.00 0.00 N ATOM 253 CA GLN A 18 -10.651 -9.599 -7.761 1.00 0.00 C ATOM 254 C GLN A 18 -9.304 -9.206 -8.350 1.00 0.00 C ATOM 255 O GLN A 18 -8.455 -8.638 -7.662 1.00 0.00 O ATOM 256 CB GLN A 18 -10.784 -11.123 -7.733 1.00 0.00 C ATOM 257 CG GLN A 18 -11.036 -11.687 -6.345 1.00 0.00 C ATOM 258 CD GLN A 18 -11.502 -13.129 -6.380 1.00 0.00 C ATOM 259 OE1 GLN A 18 -10.693 -14.055 -6.368 1.00 0.00 O ATOM 260 NE2 GLN A 18 -12.814 -13.325 -6.425 1.00 0.00 N ATOM 0 H GLN A 18 -12.342 -9.693 -8.995 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.710 -9.219 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.601 -11.420 -8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.873 -11.566 -8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.121 -11.619 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.786 -11.078 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.449 -12.527 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.187 -14.274 -6.451 1.00 0.00 H new ATOM 269 N LYS A 19 -9.116 -9.507 -9.629 1.00 0.00 N ATOM 270 CA LYS A 19 -7.872 -9.179 -10.309 1.00 0.00 C ATOM 271 C LYS A 19 -7.705 -7.673 -10.429 1.00 0.00 C ATOM 272 O LYS A 19 -6.585 -7.168 -10.490 1.00 0.00 O ATOM 273 CB LYS A 19 -7.827 -9.825 -11.693 1.00 0.00 C ATOM 274 CG LYS A 19 -6.440 -10.304 -12.089 1.00 0.00 C ATOM 275 CD LYS A 19 -6.193 -10.133 -13.580 1.00 0.00 C ATOM 276 CE LYS A 19 -5.927 -11.468 -14.257 1.00 0.00 C ATOM 277 NZ LYS A 19 -6.507 -11.523 -15.628 1.00 0.00 N ATOM 0 H LYS A 19 -9.808 -9.976 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.049 -9.573 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.515 -10.670 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.181 -9.107 -12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.689 -9.747 -11.529 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.326 -11.354 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.058 -9.656 -14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.343 -9.469 -13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.852 -11.639 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.348 -12.271 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.303 -12.449 -16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.536 -11.385 -15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.087 -10.773 -16.213 1.00 0.00 H new ATOM 291 N GLN A 20 -8.826 -6.960 -10.454 1.00 0.00 N ATOM 292 CA GLN A 20 -8.806 -5.505 -10.558 1.00 0.00 C ATOM 293 C GLN A 20 -8.424 -4.875 -9.221 1.00 0.00 C ATOM 294 O GLN A 20 -7.533 -4.029 -9.158 1.00 0.00 O ATOM 295 CB GLN A 20 -10.169 -4.978 -11.019 1.00 0.00 C ATOM 296 CG GLN A 20 -10.159 -4.431 -12.439 1.00 0.00 C ATOM 297 CD GLN A 20 -10.679 -3.007 -12.526 1.00 0.00 C ATOM 298 OE1 GLN A 20 -11.888 -2.774 -12.506 1.00 0.00 O ATOM 299 NE2 GLN A 20 -9.766 -2.048 -12.625 1.00 0.00 N ATOM 0 H GLN A 20 -9.760 -7.366 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.057 -5.229 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.902 -5.782 -10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.495 -4.192 -10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.142 -4.466 -12.829 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.767 -5.074 -13.075 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.775 -2.287 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.056 -1.072 -12.688 1.00 0.00 H new ATOM 308 N ARG A 21 -9.103 -5.298 -8.152 1.00 0.00 N ATOM 309 CA ARG A 21 -8.836 -4.777 -6.811 1.00 0.00 C ATOM 310 C ARG A 21 -7.340 -4.750 -6.514 1.00 0.00 C ATOM 311 O ARG A 21 -6.758 -3.686 -6.306 1.00 0.00 O ATOM 312 CB ARG A 21 -9.561 -5.607 -5.753 1.00 0.00 C ATOM 313 CG ARG A 21 -10.462 -4.769 -4.863 1.00 0.00 C ATOM 314 CD ARG A 21 -10.949 -5.546 -3.653 1.00 0.00 C ATOM 315 NE ARG A 21 -12.013 -4.833 -2.949 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.312 -5.010 -3.177 1.00 0.00 C ATOM 317 NH1 ARG A 21 -13.725 -5.897 -4.074 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.204 -4.294 -2.506 1.00 0.00 N ATOM 0 H ARG A 21 -9.842 -6.000 -8.190 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.211 -3.754 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.157 -6.375 -6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.826 -6.122 -5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.921 -3.883 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.319 -4.421 -5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.313 -6.523 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.116 -5.721 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.742 -4.155 -2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.045 -6.450 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.723 -6.026 -4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.894 -3.609 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.200 -4.428 -2.679 1.00 0.00 H new ATOM 332 N GLN A 22 -6.723 -5.924 -6.497 1.00 0.00 N ATOM 333 CA GLN A 22 -5.296 -6.023 -6.225 1.00 0.00 C ATOM 334 C GLN A 22 -4.477 -5.424 -7.363 1.00 0.00 C ATOM 335 O GLN A 22 -3.306 -5.098 -7.185 1.00 0.00 O ATOM 336 CB GLN A 22 -4.893 -7.481 -6.002 1.00 0.00 C ATOM 337 CG GLN A 22 -5.298 -8.018 -4.640 1.00 0.00 C ATOM 338 CD GLN A 22 -4.319 -9.042 -4.102 1.00 0.00 C ATOM 339 OE1 GLN A 22 -3.215 -8.698 -3.678 1.00 0.00 O ATOM 340 NE2 GLN A 22 -4.719 -10.307 -4.118 1.00 0.00 N ATOM 0 H GLN A 22 -7.186 -6.817 -6.667 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.089 -5.455 -5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.347 -8.098 -6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.813 -7.573 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.375 -7.190 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.288 -8.469 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.643 -10.545 -4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.103 -11.041 -3.769 1.00 0.00 H new ATOM 349 N ALA A 23 -5.096 -5.280 -8.532 1.00 0.00 N ATOM 350 CA ALA A 23 -4.408 -4.716 -9.689 1.00 0.00 C ATOM 351 C ALA A 23 -3.859 -3.332 -9.377 1.00 0.00 C ATOM 352 O ALA A 23 -2.651 -3.146 -9.231 1.00 0.00 O ATOM 353 CB ALA A 23 -5.343 -4.649 -10.888 1.00 0.00 C ATOM 0 H ALA A 23 -6.066 -5.544 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.571 -5.371 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.812 -4.226 -11.740 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.688 -5.653 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.200 -4.021 -10.646 1.00 0.00 H new ATOM 359 N LEU A 24 -4.758 -2.363 -9.277 1.00 0.00 N ATOM 360 CA LEU A 24 -4.370 -0.995 -8.983 1.00 0.00 C ATOM 361 C LEU A 24 -3.729 -0.911 -7.601 1.00 0.00 C ATOM 362 O LEU A 24 -2.802 -0.133 -7.381 1.00 0.00 O ATOM 363 CB LEU A 24 -5.585 -0.074 -9.090 1.00 0.00 C ATOM 364 CG LEU A 24 -5.812 0.530 -10.477 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.618 1.371 -10.903 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.072 -0.571 -11.490 1.00 0.00 C ATOM 0 H LEU A 24 -5.762 -2.501 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.630 -0.667 -9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.475 -0.635 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.473 0.737 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.686 1.180 -10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.802 1.790 -11.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.469 2.180 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.725 0.746 -10.934 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.232 -0.130 -12.474 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.213 -1.241 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.958 -1.134 -11.196 1.00 0.00 H new ATOM 378 N GLY A 25 -4.208 -1.731 -6.671 1.00 0.00 N ATOM 379 CA GLY A 25 -3.639 -1.726 -5.337 1.00 0.00 C ATOM 380 C GLY A 25 -2.166 -2.094 -5.365 1.00 0.00 C ATOM 381 O GLY A 25 -1.340 -1.468 -4.692 1.00 0.00 O ATOM 0 H GLY A 25 -4.972 -2.392 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.761 -0.739 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.180 -2.431 -4.706 1.00 0.00 H new ATOM 385 N GLU A 26 -1.826 -3.095 -6.176 1.00 0.00 N ATOM 386 CA GLU A 26 -0.439 -3.515 -6.313 1.00 0.00 C ATOM 387 C GLU A 26 0.420 -2.323 -6.718 1.00 0.00 C ATOM 388 O GLU A 26 1.610 -2.268 -6.410 1.00 0.00 O ATOM 389 CB GLU A 26 -0.305 -4.636 -7.348 1.00 0.00 C ATOM 390 CG GLU A 26 0.268 -5.923 -6.777 1.00 0.00 C ATOM 391 CD GLU A 26 0.968 -6.765 -7.827 1.00 0.00 C ATOM 392 OE1 GLU A 26 0.505 -6.772 -8.987 1.00 0.00 O ATOM 393 OE2 GLU A 26 1.979 -7.415 -7.490 1.00 0.00 O ATOM 0 H GLU A 26 -2.489 -3.624 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.097 -3.899 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.286 -4.843 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.333 -4.293 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.973 -5.681 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.535 -6.505 -6.326 1.00 0.00 H new ATOM 400 N GLN A 27 -0.202 -1.361 -7.400 1.00 0.00 N ATOM 401 CA GLN A 27 0.505 -0.165 -7.827 1.00 0.00 C ATOM 402 C GLN A 27 1.014 0.599 -6.609 1.00 0.00 C ATOM 403 O GLN A 27 2.089 1.194 -6.644 1.00 0.00 O ATOM 404 CB GLN A 27 -0.402 0.727 -8.682 1.00 0.00 C ATOM 405 CG GLN A 27 -0.076 0.688 -10.166 1.00 0.00 C ATOM 406 CD GLN A 27 0.612 1.951 -10.648 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.598 2.976 -9.968 1.00 0.00 O ATOM 408 NE2 GLN A 27 1.215 1.881 -11.829 1.00 0.00 N ATOM 0 H GLN A 27 -1.187 -1.390 -7.665 1.00 0.00 H new ATOM 0 HA GLN A 27 1.357 -0.463 -8.439 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.438 0.420 -8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.323 1.755 -8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.564 -0.170 -10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.996 0.542 -10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.201 1.009 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.693 2.699 -12.207 1.00 0.00 H new ATOM 417 N LEU A 28 0.239 0.562 -5.524 1.00 0.00 N ATOM 418 CA LEU A 28 0.628 1.240 -4.284 1.00 0.00 C ATOM 419 C LEU A 28 1.993 0.746 -3.816 1.00 0.00 C ATOM 420 O LEU A 28 2.816 1.521 -3.329 1.00 0.00 O ATOM 421 CB LEU A 28 -0.412 0.999 -3.179 1.00 0.00 C ATOM 422 CG LEU A 28 -0.575 2.149 -2.174 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.335 3.297 -2.804 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.284 1.676 -0.909 1.00 0.00 C ATOM 0 H LEU A 28 -0.655 0.074 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 28 0.682 2.309 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.378 0.806 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.136 0.097 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 28 0.420 2.496 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.442 4.104 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.789 3.661 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.322 2.954 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.386 2.511 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.272 1.296 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.701 0.883 -0.440 1.00 0.00 H new ATOM 436 N TYR A 29 2.219 -0.558 -3.960 1.00 0.00 N ATOM 437 CA TYR A 29 3.481 -1.171 -3.545 1.00 0.00 C ATOM 438 C TYR A 29 4.614 -0.878 -4.536 1.00 0.00 C ATOM 439 O TYR A 29 5.701 -0.467 -4.138 1.00 0.00 O ATOM 440 CB TYR A 29 3.307 -2.684 -3.384 1.00 0.00 C ATOM 441 CG TYR A 29 4.604 -3.426 -3.136 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.295 -3.280 -1.939 1.00 0.00 C ATOM 443 CD2 TYR A 29 5.141 -4.265 -4.103 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.484 -3.949 -1.714 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.328 -4.940 -3.885 1.00 0.00 C ATOM 446 CZ TYR A 29 6.996 -4.778 -2.690 1.00 0.00 C ATOM 447 OH TYR A 29 8.178 -5.446 -2.470 1.00 0.00 O ATOM 0 H TYR A 29 1.546 -1.211 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 29 3.757 -0.732 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.626 -2.876 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.837 -3.084 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.896 -2.633 -1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.623 -4.393 -5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.009 -3.823 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.730 -5.591 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 29 8.398 -5.989 -3.256 1.00 0.00 H new ATOM 457 N LYS A 30 4.364 -1.107 -5.822 1.00 0.00 N ATOM 458 CA LYS A 30 5.384 -0.878 -6.846 1.00 0.00 C ATOM 459 C LYS A 30 5.753 0.599 -6.946 1.00 0.00 C ATOM 460 O LYS A 30 6.910 0.940 -7.200 1.00 0.00 O ATOM 461 CB LYS A 30 4.906 -1.389 -8.208 1.00 0.00 C ATOM 462 CG LYS A 30 3.793 -0.554 -8.815 1.00 0.00 C ATOM 463 CD LYS A 30 3.208 -1.218 -10.053 1.00 0.00 C ATOM 464 CE LYS A 30 3.664 -0.521 -11.325 1.00 0.00 C ATOM 465 NZ LYS A 30 3.226 -1.249 -12.548 1.00 0.00 N ATOM 0 H LYS A 30 3.472 -1.448 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 30 6.274 -1.433 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.751 -1.408 -8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.560 -2.417 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.006 -0.403 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.178 0.432 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.509 -2.265 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.120 -1.201 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.266 0.494 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.751 -0.437 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.558 -0.740 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.626 -2.209 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.188 -1.307 -12.564 1.00 0.00 H new ATOM 479 N LYS A 31 4.773 1.474 -6.748 1.00 0.00 N ATOM 480 CA LYS A 31 5.013 2.910 -6.822 1.00 0.00 C ATOM 481 C LYS A 31 6.023 3.329 -5.765 1.00 0.00 C ATOM 482 O LYS A 31 6.871 4.190 -6.004 1.00 0.00 O ATOM 483 CB LYS A 31 3.706 3.682 -6.634 1.00 0.00 C ATOM 484 CG LYS A 31 3.730 5.078 -7.239 1.00 0.00 C ATOM 485 CD LYS A 31 2.807 5.181 -8.443 1.00 0.00 C ATOM 486 CE LYS A 31 3.447 5.972 -9.571 1.00 0.00 C ATOM 487 NZ LYS A 31 3.073 5.434 -10.908 1.00 0.00 N ATOM 0 H LYS A 31 3.809 1.215 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 31 5.416 3.142 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.891 3.115 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.490 3.761 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.430 5.807 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.748 5.329 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.555 4.181 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.873 5.659 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.141 7.016 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.531 5.949 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.530 6.001 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.387 4.446 -10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.040 5.479 -11.024 1.00 0.00 H new ATOM 501 N VAL A 32 5.942 2.698 -4.600 1.00 0.00 N ATOM 502 CA VAL A 32 6.867 2.990 -3.522 1.00 0.00 C ATOM 503 C VAL A 32 8.179 2.245 -3.732 1.00 0.00 C ATOM 504 O VAL A 32 9.259 2.815 -3.575 1.00 0.00 O ATOM 505 CB VAL A 32 6.276 2.651 -2.141 1.00 0.00 C ATOM 506 CG1 VAL A 32 5.093 3.554 -1.837 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.869 1.191 -2.043 1.00 0.00 C ATOM 0 H VAL A 32 5.247 1.984 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 32 7.056 4.063 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 32 7.055 2.823 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.686 3.303 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.419 4.594 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.324 3.414 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.457 0.994 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.116 0.972 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.742 0.558 -2.205 1.00 0.00 H new ATOM 517 N SER A 33 8.081 0.971 -4.116 1.00 0.00 N ATOM 518 CA SER A 33 9.261 0.158 -4.380 1.00 0.00 C ATOM 519 C SER A 33 9.882 0.524 -5.728 1.00 0.00 C ATOM 520 O SER A 33 10.804 -0.142 -6.199 1.00 0.00 O ATOM 521 CB SER A 33 8.901 -1.330 -4.353 1.00 0.00 C ATOM 522 OG SER A 33 9.647 -2.016 -3.362 1.00 0.00 O ATOM 0 H SER A 33 7.195 0.483 -4.250 1.00 0.00 H new ATOM 0 HA SER A 33 9.993 0.358 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.835 -1.446 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.095 -1.772 -5.330 1.00 0.00 H new ATOM 0 HG SER A 33 10.563 -2.156 -3.681 1.00 0.00 H new ATOM 528 N ALA A 34 9.373 1.590 -6.349 1.00 0.00 N ATOM 529 CA ALA A 34 9.878 2.044 -7.637 1.00 0.00 C ATOM 530 C ALA A 34 11.358 2.408 -7.557 1.00 0.00 C ATOM 531 O ALA A 34 11.999 2.648 -8.580 1.00 0.00 O ATOM 532 CB ALA A 34 9.068 3.233 -8.132 1.00 0.00 C ATOM 0 H ALA A 34 8.609 2.153 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 34 9.773 1.223 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.457 3.562 -9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.024 2.941 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.143 4.049 -7.413 1.00 0.00 H new ATOM 538 N LYS A 35 11.897 2.453 -6.340 1.00 0.00 N ATOM 539 CA LYS A 35 13.299 2.792 -6.142 1.00 0.00 C ATOM 540 C LYS A 35 14.132 1.546 -5.831 1.00 0.00 C ATOM 541 O LYS A 35 15.360 1.578 -5.916 1.00 0.00 O ATOM 542 CB LYS A 35 13.436 3.811 -5.008 1.00 0.00 C ATOM 543 CG LYS A 35 14.256 5.034 -5.380 1.00 0.00 C ATOM 544 CD LYS A 35 13.856 6.243 -4.553 1.00 0.00 C ATOM 545 CE LYS A 35 14.905 7.341 -4.626 1.00 0.00 C ATOM 546 NZ LYS A 35 14.731 8.347 -3.543 1.00 0.00 N ATOM 0 H LYS A 35 11.383 2.259 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 35 13.676 3.228 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.441 4.132 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.896 3.324 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.315 4.823 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.122 5.255 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.900 6.628 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.713 5.944 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.899 6.899 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.845 7.837 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.465 9.079 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.792 8.787 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.813 7.879 -2.618 1.00 0.00 H new ATOM 560 N THR A 36 13.462 0.447 -5.481 1.00 0.00 N ATOM 561 CA THR A 36 14.155 -0.802 -5.170 1.00 0.00 C ATOM 562 C THR A 36 13.160 -1.920 -4.864 1.00 0.00 C ATOM 563 O THR A 36 12.048 -1.663 -4.402 1.00 0.00 O ATOM 564 CB THR A 36 15.100 -0.602 -3.980 1.00 0.00 C ATOM 565 OG1 THR A 36 15.851 -1.778 -3.719 1.00 0.00 O ATOM 566 CG2 THR A 36 14.384 -0.226 -2.702 1.00 0.00 C ATOM 0 H THR A 36 12.446 0.397 -5.406 1.00 0.00 H new ATOM 0 HA THR A 36 14.738 -1.092 -6.045 1.00 0.00 H new ATOM 0 HB THR A 36 15.751 0.222 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.447 -1.623 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.112 -0.100 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.842 0.708 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.681 -1.015 -2.433 1.00 0.00 H new ATOM 574 N SER A 37 13.568 -3.164 -5.117 1.00 0.00 N ATOM 575 CA SER A 37 12.713 -4.323 -4.863 1.00 0.00 C ATOM 576 C SER A 37 12.792 -4.751 -3.397 1.00 0.00 C ATOM 577 O SER A 37 12.780 -5.940 -3.080 1.00 0.00 O ATOM 578 CB SER A 37 13.115 -5.486 -5.773 1.00 0.00 C ATOM 579 OG SER A 37 14.517 -5.694 -5.745 1.00 0.00 O ATOM 0 H SER A 37 14.486 -3.395 -5.498 1.00 0.00 H new ATOM 0 HA SER A 37 11.683 -4.040 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.603 -6.394 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.795 -5.280 -6.794 1.00 0.00 H new ATOM 0 HG SER A 37 14.748 -6.443 -6.333 1.00 0.00 H new ATOM 585 N ASN A 38 12.856 -3.764 -2.514 1.00 0.00 N ATOM 586 CA ASN A 38 12.917 -4.002 -1.080 1.00 0.00 C ATOM 587 C ASN A 38 11.525 -4.319 -0.529 1.00 0.00 C ATOM 588 O ASN A 38 10.710 -3.419 -0.331 1.00 0.00 O ATOM 589 CB ASN A 38 13.504 -2.776 -0.387 1.00 0.00 C ATOM 590 CG ASN A 38 14.284 -3.114 0.870 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.420 -2.674 1.045 1.00 0.00 O ATOM 592 ND2 ASN A 38 13.680 -3.897 1.753 1.00 0.00 N ATOM 0 H ASN A 38 12.867 -2.777 -2.772 1.00 0.00 H new ATOM 0 HA ASN A 38 13.558 -4.862 -0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.159 -2.252 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.696 -2.090 -0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.158 -4.156 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.737 -4.240 1.569 1.00 0.00 H new ATOM 599 N GLU A 39 11.253 -5.600 -0.293 1.00 0.00 N ATOM 600 CA GLU A 39 9.952 -6.027 0.222 1.00 0.00 C ATOM 601 C GLU A 39 9.657 -5.416 1.591 1.00 0.00 C ATOM 602 O GLU A 39 8.499 -5.187 1.940 1.00 0.00 O ATOM 603 CB GLU A 39 9.893 -7.552 0.316 1.00 0.00 C ATOM 604 CG GLU A 39 10.249 -8.257 -0.983 1.00 0.00 C ATOM 605 CD GLU A 39 9.259 -9.347 -1.348 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.239 -10.386 -0.656 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.502 -9.159 -2.324 1.00 0.00 O ATOM 0 H GLU A 39 11.914 -6.361 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 39 9.193 -5.674 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.574 -7.886 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.889 -7.850 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.291 -7.525 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.245 -8.691 -0.895 1.00 0.00 H new ATOM 614 N GLU A 40 10.705 -5.154 2.363 1.00 0.00 N ATOM 615 CA GLU A 40 10.548 -4.569 3.692 1.00 0.00 C ATOM 616 C GLU A 40 10.388 -3.052 3.611 1.00 0.00 C ATOM 617 O GLU A 40 9.813 -2.434 4.505 1.00 0.00 O ATOM 618 CB GLU A 40 11.747 -4.925 4.574 1.00 0.00 C ATOM 619 CG GLU A 40 11.838 -6.407 4.900 1.00 0.00 C ATOM 620 CD GLU A 40 12.963 -7.100 4.156 1.00 0.00 C ATOM 621 OE1 GLU A 40 13.221 -6.730 2.992 1.00 0.00 O ATOM 622 OE2 GLU A 40 13.585 -8.013 4.738 1.00 0.00 O ATOM 0 H GLU A 40 11.672 -5.336 2.094 1.00 0.00 H new ATOM 0 HA GLU A 40 9.643 -4.983 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.663 -4.614 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.685 -4.359 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.987 -6.531 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.892 -6.889 4.651 1.00 0.00 H new ATOM 629 N ALA A 41 10.896 -2.462 2.533 1.00 0.00 N ATOM 630 CA ALA A 41 10.811 -1.020 2.322 1.00 0.00 C ATOM 631 C ALA A 41 9.432 -0.612 1.835 1.00 0.00 C ATOM 632 O ALA A 41 8.686 0.069 2.536 1.00 0.00 O ATOM 633 CB ALA A 41 11.847 -0.588 1.309 1.00 0.00 C ATOM 0 H ALA A 41 11.375 -2.965 1.786 1.00 0.00 H new ATOM 0 HA ALA A 41 10.997 -0.530 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.779 0.489 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.842 -0.840 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.668 -1.101 0.364 1.00 0.00 H new ATOM 639 N ALA A 42 9.112 -1.027 0.618 1.00 0.00 N ATOM 640 CA ALA A 42 7.835 -0.707 0.008 1.00 0.00 C ATOM 641 C ALA A 42 6.675 -1.223 0.849 1.00 0.00 C ATOM 642 O ALA A 42 5.658 -0.547 0.996 1.00 0.00 O ATOM 643 CB ALA A 42 7.778 -1.275 -1.397 1.00 0.00 C ATOM 0 H ALA A 42 9.727 -1.591 0.031 1.00 0.00 H new ATOM 0 HA ALA A 42 7.741 0.378 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.817 -1.031 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.580 -0.845 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.896 -2.358 -1.357 1.00 0.00 H new ATOM 649 N GLY A 43 6.836 -2.413 1.416 1.00 0.00 N ATOM 650 CA GLY A 43 5.791 -2.974 2.249 1.00 0.00 C ATOM 651 C GLY A 43 5.584 -2.161 3.510 1.00 0.00 C ATOM 652 O GLY A 43 4.499 -2.166 4.093 1.00 0.00 O ATOM 0 H GLY A 43 7.667 -2.996 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.859 -3.015 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.048 -3.999 2.515 1.00 0.00 H new ATOM 656 N LYS A 44 6.632 -1.458 3.928 1.00 0.00 N ATOM 657 CA LYS A 44 6.575 -0.626 5.123 1.00 0.00 C ATOM 658 C LYS A 44 5.746 0.629 4.876 1.00 0.00 C ATOM 659 O LYS A 44 4.638 0.774 5.394 1.00 0.00 O ATOM 660 CB LYS A 44 7.989 -0.227 5.557 1.00 0.00 C ATOM 661 CG LYS A 44 8.319 -0.599 6.993 1.00 0.00 C ATOM 662 CD LYS A 44 7.694 0.375 7.979 1.00 0.00 C ATOM 663 CE LYS A 44 6.488 -0.231 8.678 1.00 0.00 C ATOM 664 NZ LYS A 44 5.256 0.573 8.451 1.00 0.00 N ATOM 0 H LYS A 44 7.535 -1.449 3.453 1.00 0.00 H new ATOM 0 HA LYS A 44 6.101 -1.207 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.710 -0.704 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.106 0.850 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.961 -1.608 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.401 -0.611 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.436 0.668 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.393 1.282 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.331 -1.247 8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.685 -0.300 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.452 0.119 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.391 1.530 8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.063 0.632 7.431 1.00 0.00 H new ATOM 678 N ILE A 45 6.307 1.539 4.091 1.00 0.00 N ATOM 679 CA ILE A 45 5.648 2.797 3.777 1.00 0.00 C ATOM 680 C ILE A 45 4.278 2.581 3.140 1.00 0.00 C ATOM 681 O ILE A 45 3.342 3.334 3.409 1.00 0.00 O ATOM 682 CB ILE A 45 6.515 3.660 2.850 1.00 0.00 C ATOM 683 CG1 ILE A 45 6.767 2.958 1.524 1.00 0.00 C ATOM 684 CG2 ILE A 45 7.835 3.996 3.525 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.613 3.783 0.584 1.00 0.00 C ATOM 0 H ILE A 45 7.224 1.427 3.658 1.00 0.00 H new ATOM 0 HA ILE A 45 5.507 3.319 4.723 1.00 0.00 H new ATOM 0 HB ILE A 45 5.975 4.585 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.261 2.004 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.812 2.735 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.440 4.608 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.643 4.546 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.370 3.075 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.762 3.236 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.109 4.726 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.580 3.984 1.046 1.00 0.00 H new ATOM 697 N THR A 46 4.153 1.546 2.314 1.00 0.00 N ATOM 698 CA THR A 46 2.874 1.252 1.678 1.00 0.00 C ATOM 699 C THR A 46 1.830 0.971 2.747 1.00 0.00 C ATOM 700 O THR A 46 0.653 1.288 2.582 1.00 0.00 O ATOM 701 CB THR A 46 2.990 0.057 0.723 1.00 0.00 C ATOM 702 OG1 THR A 46 3.852 0.364 -0.355 1.00 0.00 O ATOM 703 CG2 THR A 46 1.665 -0.378 0.126 1.00 0.00 C ATOM 0 H THR A 46 4.910 0.906 2.072 1.00 0.00 H new ATOM 0 HA THR A 46 2.572 2.119 1.090 1.00 0.00 H new ATOM 0 HB THR A 46 3.379 -0.757 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.666 -0.177 -0.287 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.826 -1.227 -0.538 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.983 -0.667 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.232 0.447 -0.439 1.00 0.00 H new ATOM 711 N GLY A 47 2.277 0.383 3.854 1.00 0.00 N ATOM 712 CA GLY A 47 1.377 0.074 4.945 1.00 0.00 C ATOM 713 C GLY A 47 0.743 1.320 5.523 1.00 0.00 C ATOM 714 O GLY A 47 -0.392 1.283 5.996 1.00 0.00 O ATOM 0 H GLY A 47 3.249 0.116 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.597 -0.600 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.923 -0.452 5.728 1.00 0.00 H new ATOM 718 N MET A 48 1.467 2.433 5.466 1.00 0.00 N ATOM 719 CA MET A 48 0.944 3.695 5.968 1.00 0.00 C ATOM 720 C MET A 48 -0.104 4.230 5.003 1.00 0.00 C ATOM 721 O MET A 48 -1.153 4.724 5.420 1.00 0.00 O ATOM 722 CB MET A 48 2.066 4.712 6.165 1.00 0.00 C ATOM 723 CG MET A 48 2.994 4.359 7.315 1.00 0.00 C ATOM 724 SD MET A 48 4.575 5.215 7.224 1.00 0.00 S ATOM 725 CE MET A 48 5.709 3.842 7.420 1.00 0.00 C ATOM 0 H MET A 48 2.410 2.486 5.080 1.00 0.00 H new ATOM 0 HA MET A 48 0.481 3.523 6.940 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.647 4.785 5.246 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.630 5.695 6.346 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.506 4.606 8.258 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.168 3.283 7.318 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.648 4.071 6.916 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.898 3.674 8.480 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.272 2.944 6.983 1.00 0.00 H new ATOM 735 N ILE A 49 0.170 4.095 3.706 1.00 0.00 N ATOM 736 CA ILE A 49 -0.766 4.530 2.677 1.00 0.00 C ATOM 737 C ILE A 49 -1.838 3.461 2.449 1.00 0.00 C ATOM 738 O ILE A 49 -2.671 3.580 1.550 1.00 0.00 O ATOM 739 CB ILE A 49 -0.047 4.816 1.343 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.158 5.731 1.566 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.011 5.436 0.343 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.414 5.246 0.877 1.00 0.00 C ATOM 0 H ILE A 49 1.033 3.688 3.346 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.230 5.452 3.027 1.00 0.00 H new ATOM 0 HB ILE A 49 0.312 3.871 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.917 6.731 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.348 5.815 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.488 5.632 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.837 4.749 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.399 6.372 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.230 5.941 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.678 4.258 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.241 5.189 -0.198 1.00 0.00 H new ATOM 754 N LEU A 50 -1.813 2.423 3.289 1.00 0.00 N ATOM 755 CA LEU A 50 -2.781 1.335 3.211 1.00 0.00 C ATOM 756 C LEU A 50 -4.107 1.748 3.856 1.00 0.00 C ATOM 757 O LEU A 50 -4.983 0.913 4.081 1.00 0.00 O ATOM 758 CB LEU A 50 -2.226 0.086 3.904 1.00 0.00 C ATOM 759 CG LEU A 50 -2.236 -1.199 3.066 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.600 -1.420 2.431 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.152 -1.152 2.000 1.00 0.00 C ATOM 0 H LEU A 50 -1.126 2.317 4.035 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.962 1.108 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.200 0.289 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.803 -0.090 4.812 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.030 -2.038 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.583 -2.337 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.356 -1.505 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.841 -0.577 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.175 -2.072 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.325 -0.301 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.177 -1.049 2.477 1.00 0.00 H new ATOM 773 N ASP A 51 -4.249 3.044 4.142 1.00 0.00 N ATOM 774 CA ASP A 51 -5.465 3.568 4.746 1.00 0.00 C ATOM 775 C ASP A 51 -6.570 3.698 3.705 1.00 0.00 C ATOM 776 O ASP A 51 -7.751 3.745 4.046 1.00 0.00 O ATOM 777 CB ASP A 51 -5.197 4.933 5.386 1.00 0.00 C ATOM 778 CG ASP A 51 -4.427 4.824 6.688 1.00 0.00 C ATOM 779 OD1 ASP A 51 -5.011 4.344 7.683 1.00 0.00 O ATOM 780 OD2 ASP A 51 -3.243 5.219 6.712 1.00 0.00 O ATOM 0 H ASP A 51 -3.532 3.747 3.963 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.788 2.869 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.637 5.554 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.146 5.437 5.570 1.00 0.00 H new ATOM 785 N LEU A 52 -6.182 3.760 2.432 1.00 0.00 N ATOM 786 CA LEU A 52 -7.148 3.886 1.354 1.00 0.00 C ATOM 787 C LEU A 52 -7.640 2.512 0.903 1.00 0.00 C ATOM 788 O LEU A 52 -6.848 1.683 0.455 1.00 0.00 O ATOM 789 CB LEU A 52 -6.516 4.624 0.175 1.00 0.00 C ATOM 790 CG LEU A 52 -6.417 6.143 0.333 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.618 6.510 1.575 1.00 0.00 C ATOM 792 CD2 LEU A 52 -5.784 6.755 -0.905 1.00 0.00 C ATOM 0 H LEU A 52 -5.209 3.725 2.128 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.003 4.454 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.514 4.226 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.095 4.405 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.424 6.543 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.562 7.595 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.107 6.098 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.611 6.101 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.718 7.836 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.784 6.344 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.395 6.525 -1.778 1.00 0.00 H new ATOM 804 N PRO A 53 -8.957 2.247 1.018 1.00 0.00 N ATOM 805 CA PRO A 53 -9.544 0.966 0.620 1.00 0.00 C ATOM 806 C PRO A 53 -8.986 0.444 -0.705 1.00 0.00 C ATOM 807 O PRO A 53 -8.270 1.154 -1.413 1.00 0.00 O ATOM 808 CB PRO A 53 -11.026 1.298 0.475 1.00 0.00 C ATOM 809 CG PRO A 53 -11.265 2.392 1.457 1.00 0.00 C ATOM 810 CD PRO A 53 -9.977 3.173 1.552 1.00 0.00 C ATOM 0 HA PRO A 53 -9.328 0.179 1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.263 1.618 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.649 0.430 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.084 3.033 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.545 1.986 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.024 4.093 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.758 3.458 2.581 1.00 0.00 H new ATOM 818 N PRO A 54 -9.308 -0.811 -1.055 1.00 0.00 N ATOM 819 CA PRO A 54 -8.837 -1.439 -2.298 1.00 0.00 C ATOM 820 C PRO A 54 -9.107 -0.578 -3.533 1.00 0.00 C ATOM 821 O PRO A 54 -8.176 -0.151 -4.211 1.00 0.00 O ATOM 822 CB PRO A 54 -9.634 -2.743 -2.350 1.00 0.00 C ATOM 823 CG PRO A 54 -9.919 -3.052 -0.921 1.00 0.00 C ATOM 824 CD PRO A 54 -10.157 -1.723 -0.266 1.00 0.00 C ATOM 0 HA PRO A 54 -7.757 -1.585 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.553 -2.626 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.062 -3.541 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.791 -3.699 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.082 -3.574 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.207 -1.434 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.870 -1.734 0.786 1.00 0.00 H new ATOM 832 N GLN A 55 -10.378 -0.322 -3.822 1.00 0.00 N ATOM 833 CA GLN A 55 -10.739 0.501 -4.975 1.00 0.00 C ATOM 834 C GLN A 55 -10.508 1.988 -4.692 1.00 0.00 C ATOM 835 O GLN A 55 -10.020 2.725 -5.548 1.00 0.00 O ATOM 836 CB GLN A 55 -12.198 0.279 -5.381 1.00 0.00 C ATOM 837 CG GLN A 55 -12.643 -1.173 -5.332 1.00 0.00 C ATOM 838 CD GLN A 55 -13.593 -1.522 -6.463 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.764 -1.145 -6.444 1.00 0.00 O ATOM 840 NE2 GLN A 55 -13.089 -2.245 -7.457 1.00 0.00 N ATOM 0 H GLN A 55 -11.170 -0.668 -3.281 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.093 0.195 -5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.840 0.867 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.344 0.658 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.768 -1.821 -5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.131 -1.369 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.112 -2.536 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.679 -2.509 -8.246 1.00 0.00 H new ATOM 849 N GLU A 56 -10.873 2.420 -3.484 1.00 0.00 N ATOM 850 CA GLU A 56 -10.724 3.819 -3.076 1.00 0.00 C ATOM 851 C GLU A 56 -9.277 4.296 -3.179 1.00 0.00 C ATOM 852 O GLU A 56 -9.012 5.498 -3.217 1.00 0.00 O ATOM 853 CB GLU A 56 -11.215 3.998 -1.636 1.00 0.00 C ATOM 854 CG GLU A 56 -11.186 5.440 -1.152 1.00 0.00 C ATOM 855 CD GLU A 56 -12.486 6.171 -1.421 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.560 5.571 -1.205 1.00 0.00 O ATOM 857 OE2 GLU A 56 -12.430 7.343 -1.849 1.00 0.00 O ATOM 0 H GLU A 56 -11.276 1.817 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.326 4.421 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.234 3.619 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.599 3.390 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.979 5.456 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.368 5.968 -1.643 1.00 0.00 H new ATOM 864 N VAL A 57 -8.346 3.356 -3.224 1.00 0.00 N ATOM 865 CA VAL A 57 -6.934 3.694 -3.316 1.00 0.00 C ATOM 866 C VAL A 57 -6.492 3.846 -4.772 1.00 0.00 C ATOM 867 O VAL A 57 -5.552 4.582 -5.069 1.00 0.00 O ATOM 868 CB VAL A 57 -6.071 2.633 -2.611 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.100 1.317 -3.372 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.649 3.129 -2.438 1.00 0.00 C ATOM 0 H VAL A 57 -8.542 2.355 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.794 4.652 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.491 2.456 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.483 0.583 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.126 0.952 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.713 1.471 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.055 2.364 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.217 3.342 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.651 4.038 -1.836 1.00 0.00 H new ATOM 880 N PHE A 58 -7.177 3.141 -5.672 1.00 0.00 N ATOM 881 CA PHE A 58 -6.865 3.187 -7.101 1.00 0.00 C ATOM 882 C PHE A 58 -6.590 4.615 -7.581 1.00 0.00 C ATOM 883 O PHE A 58 -5.593 4.864 -8.258 1.00 0.00 O ATOM 884 CB PHE A 58 -8.020 2.602 -7.921 1.00 0.00 C ATOM 885 CG PHE A 58 -8.146 1.109 -7.860 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.518 0.373 -6.867 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.905 0.444 -8.806 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.646 -1.000 -6.825 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.036 -0.926 -8.770 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.407 -1.649 -7.780 1.00 0.00 C ATOM 0 H PHE A 58 -7.957 2.527 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.963 2.592 -7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.953 3.045 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.894 2.899 -8.962 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.924 0.879 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.401 1.007 -9.583 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.153 -1.566 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.630 -1.433 -9.516 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.508 -2.724 -7.750 1.00 0.00 H new ATOM 900 N PRO A 59 -7.479 5.571 -7.252 1.00 0.00 N ATOM 901 CA PRO A 59 -7.322 6.968 -7.673 1.00 0.00 C ATOM 902 C PRO A 59 -6.045 7.604 -7.137 1.00 0.00 C ATOM 903 O PRO A 59 -5.474 8.496 -7.763 1.00 0.00 O ATOM 904 CB PRO A 59 -8.551 7.673 -7.083 1.00 0.00 C ATOM 905 CG PRO A 59 -9.525 6.584 -6.789 1.00 0.00 C ATOM 906 CD PRO A 59 -8.704 5.373 -6.456 1.00 0.00 C ATOM 0 HA PRO A 59 -7.248 7.048 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.292 8.224 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.967 8.393 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.175 6.856 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.169 6.395 -7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.487 5.314 -5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.217 4.451 -6.728 1.00 0.00 H new ATOM 914 N LEU A 60 -5.608 7.146 -5.972 1.00 0.00 N ATOM 915 CA LEU A 60 -4.405 7.677 -5.343 1.00 0.00 C ATOM 916 C LEU A 60 -3.138 7.084 -5.962 1.00 0.00 C ATOM 917 O LEU A 60 -2.240 7.818 -6.376 1.00 0.00 O ATOM 918 CB LEU A 60 -4.437 7.399 -3.838 1.00 0.00 C ATOM 919 CG LEU A 60 -3.094 7.560 -3.115 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.170 8.662 -2.076 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.669 6.246 -2.476 1.00 0.00 C ATOM 0 H LEU A 60 -6.069 6.407 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.384 8.754 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.162 8.069 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.797 6.382 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.342 7.841 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.206 8.758 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.422 9.604 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.937 8.417 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.714 6.381 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.423 5.932 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.565 5.483 -3.248 1.00 0.00 H new ATOM 933 N LEU A 61 -3.058 5.758 -5.998 1.00 0.00 N ATOM 934 CA LEU A 61 -1.881 5.077 -6.538 1.00 0.00 C ATOM 935 C LEU A 61 -1.679 5.331 -8.034 1.00 0.00 C ATOM 936 O LEU A 61 -0.683 4.890 -8.605 1.00 0.00 O ATOM 937 CB LEU A 61 -1.957 3.570 -6.292 1.00 0.00 C ATOM 938 CG LEU A 61 -3.307 2.920 -6.592 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.383 2.501 -8.046 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.533 1.729 -5.676 1.00 0.00 C ATOM 0 H LEU A 61 -3.790 5.133 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.026 5.497 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.196 3.082 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.704 3.377 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.095 3.651 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.351 2.040 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.263 3.377 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.590 1.784 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.498 1.275 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.742 0.995 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.521 2.061 -4.638 1.00 0.00 H new ATOM 952 N GLU A 62 -2.610 6.033 -8.676 1.00 0.00 N ATOM 953 CA GLU A 62 -2.484 6.314 -10.103 1.00 0.00 C ATOM 954 C GLU A 62 -2.055 7.761 -10.337 1.00 0.00 C ATOM 955 O GLU A 62 -1.659 8.128 -11.444 1.00 0.00 O ATOM 956 CB GLU A 62 -3.805 6.034 -10.826 1.00 0.00 C ATOM 957 CG GLU A 62 -4.926 6.994 -10.454 1.00 0.00 C ATOM 958 CD GLU A 62 -5.575 7.632 -11.668 1.00 0.00 C ATOM 959 OE1 GLU A 62 -4.837 8.148 -12.534 1.00 0.00 O ATOM 960 OE2 GLU A 62 -6.821 7.616 -11.752 1.00 0.00 O ATOM 0 H GLU A 62 -3.449 6.413 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.716 5.656 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.637 6.086 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.122 5.016 -10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.683 6.458 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.530 7.776 -9.806 1.00 0.00 H new ATOM 967 N SER A 63 -2.131 8.577 -9.288 1.00 0.00 N ATOM 968 CA SER A 63 -1.744 9.979 -9.381 1.00 0.00 C ATOM 969 C SER A 63 -0.450 10.235 -8.612 1.00 0.00 C ATOM 970 O SER A 63 -0.360 9.949 -7.418 1.00 0.00 O ATOM 971 CB SER A 63 -2.862 10.869 -8.837 1.00 0.00 C ATOM 972 OG SER A 63 -4.020 10.786 -9.650 1.00 0.00 O ATOM 0 H SER A 63 -2.457 8.290 -8.365 1.00 0.00 H new ATOM 0 HA SER A 63 -1.574 10.220 -10.430 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.107 10.569 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.519 11.903 -8.791 1.00 0.00 H new ATOM 0 HG SER A 63 -4.632 10.116 -9.280 1.00 0.00 H new ATOM 978 N ASP A 64 0.549 10.770 -9.305 1.00 0.00 N ATOM 979 CA ASP A 64 1.840 11.062 -8.691 1.00 0.00 C ATOM 980 C ASP A 64 1.699 12.084 -7.565 1.00 0.00 C ATOM 981 O ASP A 64 2.219 11.888 -6.465 1.00 0.00 O ATOM 982 CB ASP A 64 2.819 11.587 -9.745 1.00 0.00 C ATOM 983 CG ASP A 64 3.637 10.480 -10.379 1.00 0.00 C ATOM 984 OD1 ASP A 64 3.072 9.706 -11.180 1.00 0.00 O ATOM 985 OD2 ASP A 64 4.845 10.384 -10.073 1.00 0.00 O ATOM 0 H ASP A 64 0.490 11.011 -10.294 1.00 0.00 H new ATOM 0 HA ASP A 64 2.226 10.135 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.264 12.115 -10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.490 12.312 -9.284 1.00 0.00 H new ATOM 990 N GLU A 65 0.999 13.176 -7.850 1.00 0.00 N ATOM 991 CA GLU A 65 0.793 14.238 -6.869 1.00 0.00 C ATOM 992 C GLU A 65 0.091 13.717 -5.619 1.00 0.00 C ATOM 993 O GLU A 65 0.582 13.889 -4.503 1.00 0.00 O ATOM 994 CB GLU A 65 -0.025 15.372 -7.486 1.00 0.00 C ATOM 995 CG GLU A 65 0.794 16.303 -8.363 1.00 0.00 C ATOM 996 CD GLU A 65 1.408 17.448 -7.583 1.00 0.00 C ATOM 997 OE1 GLU A 65 1.825 17.223 -6.427 1.00 0.00 O ATOM 998 OE2 GLU A 65 1.472 18.570 -8.127 1.00 0.00 O ATOM 0 H GLU A 65 0.563 13.351 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 65 1.773 14.613 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.834 14.945 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.488 15.952 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.586 15.734 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.159 16.705 -9.152 1.00 0.00 H new ATOM 1005 N LEU A 66 -1.061 13.083 -5.811 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.831 12.542 -4.697 1.00 0.00 C ATOM 1007 C LEU A 66 -1.018 11.513 -3.918 1.00 0.00 C ATOM 1008 O LEU A 66 -1.229 11.317 -2.720 1.00 0.00 O ATOM 1009 CB LEU A 66 -3.125 11.909 -5.211 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.378 12.257 -4.408 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.196 11.858 -2.953 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.692 13.742 -4.524 1.00 0.00 C ATOM 0 H LEU A 66 -1.482 12.931 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.077 13.363 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.277 12.218 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.005 10.826 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.221 11.699 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.095 12.111 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.018 10.784 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.344 12.392 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.587 13.971 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.853 14.322 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.861 13.998 -5.570 1.00 0.00 H new ATOM 1024 N PHE A 67 -0.089 10.858 -4.604 1.00 0.00 N ATOM 1025 CA PHE A 67 0.752 9.848 -3.976 1.00 0.00 C ATOM 1026 C PHE A 67 1.842 10.487 -3.131 1.00 0.00 C ATOM 1027 O PHE A 67 2.000 10.162 -1.957 1.00 0.00 O ATOM 1028 CB PHE A 67 1.394 8.947 -5.031 1.00 0.00 C ATOM 1029 CG PHE A 67 1.774 7.599 -4.492 1.00 0.00 C ATOM 1030 CD1 PHE A 67 0.801 6.755 -3.993 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.096 7.176 -4.477 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.133 5.516 -3.491 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.433 5.933 -3.974 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.446 5.103 -3.480 1.00 0.00 C ATOM 0 H PHE A 67 0.100 11.009 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 67 0.112 9.248 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.701 8.818 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.282 9.438 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.232 7.070 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.869 7.824 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.361 4.867 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.464 5.612 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.704 4.131 -3.086 1.00 0.00 H new ATOM 1044 N GLU A 68 2.595 11.393 -3.742 1.00 0.00 N ATOM 1045 CA GLU A 68 3.686 12.081 -3.060 1.00 0.00 C ATOM 1046 C GLU A 68 3.295 12.508 -1.647 1.00 0.00 C ATOM 1047 O GLU A 68 4.051 12.303 -0.701 1.00 0.00 O ATOM 1048 CB GLU A 68 4.120 13.302 -3.870 1.00 0.00 C ATOM 1049 CG GLU A 68 5.072 12.967 -5.006 1.00 0.00 C ATOM 1050 CD GLU A 68 4.710 13.674 -6.298 1.00 0.00 C ATOM 1051 OE1 GLU A 68 4.367 14.873 -6.243 1.00 0.00 O ATOM 1052 OE2 GLU A 68 4.772 13.028 -7.365 1.00 0.00 O ATOM 0 H GLU A 68 2.469 11.670 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 68 4.517 11.380 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.235 13.790 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.600 14.019 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.087 13.242 -4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.069 11.890 -5.172 1.00 0.00 H new ATOM 1059 N GLN A 69 2.116 13.109 -1.510 1.00 0.00 N ATOM 1060 CA GLN A 69 1.637 13.573 -0.209 1.00 0.00 C ATOM 1061 C GLN A 69 1.546 12.424 0.792 1.00 0.00 C ATOM 1062 O GLN A 69 2.206 12.439 1.830 1.00 0.00 O ATOM 1063 CB GLN A 69 0.271 14.245 -0.358 1.00 0.00 C ATOM 1064 CG GLN A 69 0.230 15.293 -1.458 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.955 16.229 -1.329 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -1.910 16.150 -2.100 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -0.896 17.123 -0.349 1.00 0.00 N ATOM 0 H GLN A 69 1.474 13.287 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 69 2.356 14.298 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.480 13.483 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.001 14.712 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.152 15.875 -1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.191 14.796 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.083 17.152 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.663 17.781 -0.212 1.00 0.00 H new ATOM 1076 N HIS A 70 0.719 11.436 0.481 1.00 0.00 N ATOM 1077 CA HIS A 70 0.546 10.292 1.369 1.00 0.00 C ATOM 1078 C HIS A 70 1.860 9.532 1.504 1.00 0.00 C ATOM 1079 O HIS A 70 2.314 9.248 2.612 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.556 9.368 0.849 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.899 9.654 1.445 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.194 9.441 2.775 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -3.029 10.148 0.887 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.445 9.791 3.011 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.974 10.223 1.882 1.00 0.00 N ATOM 0 H HIS A 70 0.161 11.402 -0.372 1.00 0.00 H new ATOM 0 HA HIS A 70 0.249 10.656 2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.619 9.464 -0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.284 8.334 1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.163 10.430 -0.147 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.949 9.734 3.965 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.930 10.559 1.766 1.00 0.00 H new ATOM 1093 N TYR A 71 2.470 9.214 0.370 1.00 0.00 N ATOM 1094 CA TYR A 71 3.740 8.500 0.355 1.00 0.00 C ATOM 1095 C TYR A 71 4.855 9.343 0.992 1.00 0.00 C ATOM 1096 O TYR A 71 5.940 8.832 1.270 1.00 0.00 O ATOM 1097 CB TYR A 71 4.094 8.113 -1.091 1.00 0.00 C ATOM 1098 CG TYR A 71 5.572 7.923 -1.359 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.256 6.816 -0.871 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.278 8.852 -2.110 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.604 6.644 -1.125 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.624 8.686 -2.370 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.282 7.580 -1.874 1.00 0.00 C ATOM 1104 OH TYR A 71 9.625 7.411 -2.129 1.00 0.00 O ATOM 0 H TYR A 71 2.104 9.440 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 71 3.643 7.592 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.573 7.189 -1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.715 8.885 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.727 6.079 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.766 9.720 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.123 5.780 -0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.158 9.418 -2.958 1.00 0.00 H new ATOM 0 HH TYR A 71 9.952 8.159 -2.672 1.00 0.00 H new ATOM 1114 N LYS A 72 4.583 10.632 1.229 1.00 0.00 N ATOM 1115 CA LYS A 72 5.572 11.524 1.840 1.00 0.00 C ATOM 1116 C LYS A 72 5.862 11.112 3.278 1.00 0.00 C ATOM 1117 O LYS A 72 6.996 10.777 3.622 1.00 0.00 O ATOM 1118 CB LYS A 72 5.085 12.977 1.824 1.00 0.00 C ATOM 1119 CG LYS A 72 6.060 13.950 2.467 1.00 0.00 C ATOM 1120 CD LYS A 72 7.346 14.052 1.665 1.00 0.00 C ATOM 1121 CE LYS A 72 8.162 15.268 2.071 1.00 0.00 C ATOM 1122 NZ LYS A 72 9.497 15.282 1.415 1.00 0.00 N ATOM 0 H LYS A 72 3.692 11.077 1.008 1.00 0.00 H new ATOM 0 HA LYS A 72 6.486 11.445 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.908 13.281 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.128 13.037 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.598 14.934 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.287 13.624 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.939 13.149 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.110 14.110 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.618 16.175 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.289 15.276 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.023 16.127 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.026 14.429 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.376 15.300 0.382 1.00 0.00 H new ATOM 1136 N GLU A 73 4.830 11.145 4.118 1.00 0.00 N ATOM 1137 CA GLU A 73 4.978 10.781 5.522 1.00 0.00 C ATOM 1138 C GLU A 73 5.661 9.428 5.636 1.00 0.00 C ATOM 1139 O GLU A 73 6.456 9.192 6.547 1.00 0.00 O ATOM 1140 CB GLU A 73 3.607 10.735 6.201 1.00 0.00 C ATOM 1141 CG GLU A 73 3.647 11.052 7.685 1.00 0.00 C ATOM 1142 CD GLU A 73 2.271 11.330 8.257 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.575 12.218 7.720 1.00 0.00 O ATOM 1144 OE2 GLU A 73 1.888 10.662 9.241 1.00 0.00 O ATOM 0 H GLU A 73 3.885 11.420 3.850 1.00 0.00 H new ATOM 0 HA GLU A 73 5.592 11.532 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.943 11.443 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.176 9.743 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.097 10.216 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.288 11.918 7.851 1.00 0.00 H new ATOM 1151 N ALA A 74 5.352 8.549 4.695 1.00 0.00 N ATOM 1152 CA ALA A 74 5.937 7.223 4.667 1.00 0.00 C ATOM 1153 C ALA A 74 7.389 7.279 4.204 1.00 0.00 C ATOM 1154 O ALA A 74 8.245 6.567 4.730 1.00 0.00 O ATOM 1155 CB ALA A 74 5.117 6.326 3.759 1.00 0.00 C ATOM 0 H ALA A 74 4.695 8.735 3.937 1.00 0.00 H new ATOM 0 HA ALA A 74 5.928 6.811 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.557 5.329 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.096 6.264 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.108 6.740 2.751 1.00 0.00 H new ATOM 1161 N SER A 75 7.664 8.141 3.227 1.00 0.00 N ATOM 1162 CA SER A 75 9.021 8.298 2.709 1.00 0.00 C ATOM 1163 C SER A 75 9.987 8.581 3.854 1.00 0.00 C ATOM 1164 O SER A 75 10.985 7.885 4.024 1.00 0.00 O ATOM 1165 CB SER A 75 9.079 9.417 1.669 1.00 0.00 C ATOM 1166 OG SER A 75 10.420 9.773 1.378 1.00 0.00 O ATOM 0 H SER A 75 6.969 8.739 2.780 1.00 0.00 H new ATOM 0 HA SER A 75 9.316 7.369 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.578 9.095 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.540 10.289 2.038 1.00 0.00 H new ATOM 0 HG SER A 75 10.431 10.489 0.709 1.00 0.00 H new ATOM 1172 N ALA A 76 9.678 9.601 4.648 1.00 0.00 N ATOM 1173 CA ALA A 76 10.517 9.956 5.789 1.00 0.00 C ATOM 1174 C ALA A 76 10.813 8.719 6.636 1.00 0.00 C ATOM 1175 O ALA A 76 11.931 8.530 7.116 1.00 0.00 O ATOM 1176 CB ALA A 76 9.843 11.027 6.630 1.00 0.00 C ATOM 0 H ALA A 76 8.857 10.194 4.524 1.00 0.00 H new ATOM 0 HA ALA A 76 11.461 10.354 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.481 11.280 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.677 11.916 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.886 10.654 6.996 1.00 0.00 H new ATOM 1182 N ALA A 77 9.798 7.873 6.792 1.00 0.00 N ATOM 1183 CA ALA A 77 9.934 6.635 7.556 1.00 0.00 C ATOM 1184 C ALA A 77 10.638 5.568 6.725 1.00 0.00 C ATOM 1185 O ALA A 77 11.161 4.592 7.256 1.00 0.00 O ATOM 1186 CB ALA A 77 8.572 6.139 8.006 1.00 0.00 C ATOM 0 H ALA A 77 8.869 8.023 6.398 1.00 0.00 H new ATOM 0 HA ALA A 77 10.539 6.840 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.690 5.216 8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.099 6.894 8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.947 5.950 7.133 1.00 0.00 H new ATOM 1192 N TYR A 78 10.665 5.787 5.416 1.00 0.00 N ATOM 1193 CA TYR A 78 11.322 4.882 4.488 1.00 0.00 C ATOM 1194 C TYR A 78 12.801 4.788 4.834 1.00 0.00 C ATOM 1195 O TYR A 78 13.345 3.703 5.013 1.00 0.00 O ATOM 1196 CB TYR A 78 11.155 5.409 3.056 1.00 0.00 C ATOM 1197 CG TYR A 78 11.374 4.384 1.961 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.317 3.374 2.093 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.640 4.445 0.782 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.518 2.454 1.087 1.00 0.00 C ATOM 1201 CE2 TYR A 78 10.837 3.525 -0.231 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.778 2.532 -0.075 1.00 0.00 C ATOM 1203 OH TYR A 78 11.981 1.614 -1.083 1.00 0.00 O ATOM 0 H TYR A 78 10.232 6.596 4.971 1.00 0.00 H new ATOM 0 HA TYR A 78 10.872 3.892 4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.151 5.819 2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.853 6.233 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.902 3.308 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.903 5.224 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.254 1.673 1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.256 3.585 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 78 11.378 1.810 -1.830 1.00 0.00 H new ATOM 1213 N GLU A 79 13.436 5.949 4.928 1.00 0.00 N ATOM 1214 CA GLU A 79 14.856 6.030 5.246 1.00 0.00 C ATOM 1215 C GLU A 79 15.165 5.452 6.622 1.00 0.00 C ATOM 1216 O GLU A 79 16.058 4.618 6.764 1.00 0.00 O ATOM 1217 CB GLU A 79 15.327 7.482 5.184 1.00 0.00 C ATOM 1218 CG GLU A 79 15.162 8.120 3.814 1.00 0.00 C ATOM 1219 CD GLU A 79 14.847 9.602 3.897 1.00 0.00 C ATOM 1220 OE1 GLU A 79 14.851 10.150 5.019 1.00 0.00 O ATOM 1221 OE2 GLU A 79 14.595 10.214 2.838 1.00 0.00 O ATOM 0 H GLU A 79 12.986 6.854 4.787 1.00 0.00 H new ATOM 0 HA GLU A 79 15.390 5.436 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.771 8.067 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.377 7.527 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.077 7.978 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.363 7.612 3.274 1.00 0.00 H new ATOM 1228 N SER A 80 14.438 5.906 7.635 1.00 0.00 N ATOM 1229 CA SER A 80 14.663 5.434 8.991 1.00 0.00 C ATOM 1230 C SER A 80 14.501 3.920 9.082 1.00 0.00 C ATOM 1231 O SER A 80 15.360 3.234 9.627 1.00 0.00 O ATOM 1232 CB SER A 80 13.713 6.127 9.971 1.00 0.00 C ATOM 1233 OG SER A 80 14.405 6.549 11.135 1.00 0.00 O ATOM 0 H SER A 80 13.693 6.596 7.542 1.00 0.00 H new ATOM 0 HA SER A 80 15.689 5.684 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.249 6.987 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.909 5.445 10.248 1.00 0.00 H new ATOM 0 HG SER A 80 13.779 6.991 11.746 1.00 0.00 H new ATOM 1239 N PHE A 81 13.403 3.402 8.548 1.00 0.00 N ATOM 1240 CA PHE A 81 13.148 1.968 8.583 1.00 0.00 C ATOM 1241 C PHE A 81 14.177 1.196 7.756 1.00 0.00 C ATOM 1242 O PHE A 81 14.797 0.255 8.248 1.00 0.00 O ATOM 1243 CB PHE A 81 11.735 1.660 8.083 1.00 0.00 C ATOM 1244 CG PHE A 81 10.827 1.125 9.154 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.111 1.988 9.969 1.00 0.00 C ATOM 1246 CD2 PHE A 81 10.694 -0.240 9.346 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.277 1.497 10.956 1.00 0.00 C ATOM 1248 CE2 PHE A 81 9.862 -0.737 10.332 1.00 0.00 C ATOM 1249 CZ PHE A 81 9.152 0.132 11.137 1.00 0.00 C ATOM 0 H PHE A 81 12.677 3.951 8.087 1.00 0.00 H new ATOM 0 HA PHE A 81 13.236 1.644 9.620 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.299 2.568 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.795 0.935 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.206 3.055 9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.246 -0.924 8.719 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.724 2.179 11.585 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.767 -1.804 10.473 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.500 -0.254 11.907 1.00 0.00 H new ATOM 1259 N LYS A 82 14.345 1.592 6.498 1.00 0.00 N ATOM 1260 CA LYS A 82 15.293 0.923 5.609 1.00 0.00 C ATOM 1261 C LYS A 82 16.719 0.997 6.152 1.00 0.00 C ATOM 1262 O LYS A 82 17.460 0.016 6.096 1.00 0.00 O ATOM 1263 CB LYS A 82 15.234 1.529 4.203 1.00 0.00 C ATOM 1264 CG LYS A 82 14.731 0.559 3.147 1.00 0.00 C ATOM 1265 CD LYS A 82 15.586 0.611 1.891 1.00 0.00 C ATOM 1266 CE LYS A 82 16.836 -0.241 2.034 1.00 0.00 C ATOM 1267 NZ LYS A 82 18.002 0.555 2.506 1.00 0.00 N ATOM 0 H LYS A 82 13.840 2.369 6.071 1.00 0.00 H new ATOM 0 HA LYS A 82 15.006 -0.127 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.585 2.404 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.229 1.875 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.736 -0.454 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.698 0.797 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.003 0.264 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.869 1.643 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.643 -1.053 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.074 -0.699 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.883 0.077 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.972 1.502 2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.966 0.642 3.542 1.00 0.00 H new ATOM 1281 N LYS A 83 17.103 2.160 6.670 1.00 0.00 N ATOM 1282 CA LYS A 83 18.448 2.340 7.210 1.00 0.00 C ATOM 1283 C LYS A 83 18.616 1.597 8.531 1.00 0.00 C ATOM 1284 O LYS A 83 19.652 0.978 8.775 1.00 0.00 O ATOM 1285 CB LYS A 83 18.763 3.824 7.402 1.00 0.00 C ATOM 1286 CG LYS A 83 19.068 4.554 6.103 1.00 0.00 C ATOM 1287 CD LYS A 83 20.339 5.381 6.212 1.00 0.00 C ATOM 1288 CE LYS A 83 20.054 6.774 6.754 1.00 0.00 C ATOM 1289 NZ LYS A 83 20.221 7.824 5.711 1.00 0.00 N ATOM 0 H LYS A 83 16.508 2.986 6.728 1.00 0.00 H new ATOM 0 HA LYS A 83 19.150 1.922 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.916 4.307 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.616 3.922 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.172 3.831 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.232 5.203 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 83 21.049 4.874 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.808 5.460 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.037 6.810 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.724 6.982 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.017 8.757 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.198 7.808 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.564 7.641 4.926 1.00 0.00 H new ATOM 1303 N GLU A 84 17.593 1.649 9.382 1.00 0.00 N ATOM 1304 CA GLU A 84 17.645 0.965 10.672 1.00 0.00 C ATOM 1305 C GLU A 84 17.234 -0.499 10.526 1.00 0.00 C ATOM 1306 O GLU A 84 16.640 -1.081 11.434 1.00 0.00 O ATOM 1307 CB GLU A 84 16.742 1.664 11.696 1.00 0.00 C ATOM 1308 CG GLU A 84 17.508 2.398 12.784 1.00 0.00 C ATOM 1309 CD GLU A 84 17.620 1.591 14.062 1.00 0.00 C ATOM 1310 OE1 GLU A 84 16.570 1.174 14.595 1.00 0.00 O ATOM 1311 OE2 GLU A 84 18.757 1.375 14.530 1.00 0.00 O ATOM 0 H GLU A 84 16.725 2.154 9.204 1.00 0.00 H new ATOM 0 HA GLU A 84 18.674 1.005 11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.098 2.373 11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.091 0.923 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.507 2.638 12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.011 3.344 12.998 1.00 0.00 H new ATOM 1318 N GLN A 85 17.557 -1.092 9.379 1.00 0.00 N ATOM 1319 CA GLN A 85 17.225 -2.484 9.119 1.00 0.00 C ATOM 1320 C GLN A 85 18.145 -3.411 9.905 1.00 0.00 C ATOM 1321 O GLN A 85 19.321 -3.110 10.106 1.00 0.00 O ATOM 1322 CB GLN A 85 17.334 -2.781 7.620 1.00 0.00 C ATOM 1323 CG GLN A 85 15.990 -2.951 6.933 1.00 0.00 C ATOM 1324 CD GLN A 85 16.018 -4.014 5.853 1.00 0.00 C ATOM 1325 OE1 GLN A 85 15.915 -5.208 6.137 1.00 0.00 O ATOM 1326 NE2 GLN A 85 16.160 -3.585 4.605 1.00 0.00 N ATOM 0 H GLN A 85 18.049 -0.627 8.616 1.00 0.00 H new ATOM 0 HA GLN A 85 16.199 -2.660 9.442 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.879 -1.971 7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 85 17.921 -3.689 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.237 -3.213 7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 85 15.688 -2.000 6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.242 -2.586 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.187 -4.254 3.836 1.00 0.00 H new ATOM 1335 N GLU A 86 17.602 -4.539 10.347 1.00 0.00 N ATOM 1336 CA GLU A 86 18.379 -5.509 11.110 1.00 0.00 C ATOM 1337 C GLU A 86 19.417 -6.201 10.227 1.00 0.00 C ATOM 1338 O GLU A 86 20.337 -6.849 10.727 1.00 0.00 O ATOM 1339 CB GLU A 86 17.453 -6.549 11.744 1.00 0.00 C ATOM 1340 CG GLU A 86 17.195 -6.313 13.223 1.00 0.00 C ATOM 1341 CD GLU A 86 16.409 -7.440 13.864 1.00 0.00 C ATOM 1342 OE1 GLU A 86 15.185 -7.522 13.623 1.00 0.00 O ATOM 1343 OE2 GLU A 86 17.016 -8.240 14.605 1.00 0.00 O ATOM 0 H GLU A 86 16.630 -4.804 10.191 1.00 0.00 H new ATOM 0 HA GLU A 86 18.906 -4.972 11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.501 -6.547 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.889 -7.539 11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.147 -6.199 13.741 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.650 -5.377 13.348 1.00 0.00 H new ATOM 1350 N GLN A 87 19.264 -6.063 8.912 1.00 0.00 N ATOM 1351 CA GLN A 87 20.188 -6.679 7.967 1.00 0.00 C ATOM 1352 C GLN A 87 21.468 -5.857 7.833 1.00 0.00 C ATOM 1353 O GLN A 87 22.532 -6.394 7.530 1.00 0.00 O ATOM 1354 CB GLN A 87 19.521 -6.833 6.599 1.00 0.00 C ATOM 1355 CG GLN A 87 19.915 -8.105 5.869 1.00 0.00 C ATOM 1356 CD GLN A 87 18.987 -8.425 4.714 1.00 0.00 C ATOM 1357 OE1 GLN A 87 17.933 -7.807 4.560 1.00 0.00 O ATOM 1358 NE2 GLN A 87 19.373 -9.396 3.896 1.00 0.00 N ATOM 0 H GLN A 87 18.510 -5.531 8.479 1.00 0.00 H new ATOM 0 HA GLN A 87 20.453 -7.665 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 87 18.439 -6.819 6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 87 19.779 -5.974 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 87 20.934 -8.004 5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 87 19.915 -8.938 6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 87 20.255 -9.882 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.788 -9.657 3.102 1.00 0.00 H new ATOM 1367 N GLN A 88 21.358 -4.550 8.058 1.00 0.00 N ATOM 1368 CA GLN A 88 22.509 -3.659 7.959 1.00 0.00 C ATOM 1369 C GLN A 88 23.273 -3.601 9.280 1.00 0.00 C ATOM 1370 O GLN A 88 22.700 -3.303 10.328 1.00 0.00 O ATOM 1371 CB GLN A 88 22.058 -2.253 7.550 1.00 0.00 C ATOM 1372 CG GLN A 88 22.336 -1.927 6.091 1.00 0.00 C ATOM 1373 CD GLN A 88 21.340 -0.942 5.514 1.00 0.00 C ATOM 1374 OE1 GLN A 88 21.309 0.227 5.900 1.00 0.00 O ATOM 1375 NE2 GLN A 88 20.516 -1.410 4.583 1.00 0.00 N ATOM 0 H GLN A 88 20.485 -4.086 8.310 1.00 0.00 H new ATOM 0 HA GLN A 88 23.178 -4.055 7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 88 20.989 -2.154 7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 88 22.562 -1.521 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 88 23.342 -1.517 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 88 22.312 -2.847 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.576 -2.386 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.823 -0.793 4.159 1.00 0.00 H new ATOM 1384 N THR A 89 24.572 -3.882 9.220 1.00 0.00 N ATOM 1385 CA THR A 89 25.418 -3.857 10.408 1.00 0.00 C ATOM 1386 C THR A 89 25.986 -2.459 10.636 1.00 0.00 C ATOM 1387 O THR A 89 27.160 -2.204 10.364 1.00 0.00 O ATOM 1388 CB THR A 89 26.558 -4.873 10.275 1.00 0.00 C ATOM 1389 OG1 THR A 89 26.764 -5.220 8.917 1.00 0.00 O ATOM 1390 CG2 THR A 89 26.312 -6.153 11.044 1.00 0.00 C ATOM 0 H THR A 89 25.061 -4.130 8.360 1.00 0.00 H new ATOM 0 HA THR A 89 24.805 -4.127 11.268 1.00 0.00 H new ATOM 0 HB THR A 89 27.435 -4.380 10.694 1.00 0.00 H new ATOM 0 HG1 THR A 89 27.496 -5.868 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 89 27.157 -6.828 10.907 1.00 0.00 H new ATOM 0 HG22 THR A 89 26.198 -5.925 12.104 1.00 0.00 H new ATOM 0 HG23 THR A 89 25.403 -6.630 10.676 1.00 0.00 H new ATOM 1398 N GLU A 90 25.143 -1.558 11.131 1.00 0.00 N ATOM 1399 CA GLU A 90 25.557 -0.183 11.391 1.00 0.00 C ATOM 1400 C GLU A 90 26.088 -0.032 12.812 1.00 0.00 C ATOM 1401 O GLU A 90 27.110 0.619 13.038 1.00 0.00 O ATOM 1402 CB GLU A 90 24.383 0.773 11.167 1.00 0.00 C ATOM 1403 CG GLU A 90 24.365 1.402 9.783 1.00 0.00 C ATOM 1404 CD GLU A 90 25.057 2.751 9.746 1.00 0.00 C ATOM 1405 OE1 GLU A 90 26.137 2.880 10.358 1.00 0.00 O ATOM 1406 OE2 GLU A 90 24.518 3.677 9.105 1.00 0.00 O ATOM 0 H GLU A 90 24.169 -1.755 11.360 1.00 0.00 H new ATOM 0 HA GLU A 90 26.359 0.067 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 90 23.450 0.232 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 90 24.422 1.564 11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 90 24.851 0.729 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 90 23.332 1.518 9.454 1.00 0.00 H new ATOM 1413 N GLN A 91 25.389 -0.635 13.768 1.00 0.00 N ATOM 1414 CA GLN A 91 25.792 -0.565 15.169 1.00 0.00 C ATOM 1415 C GLN A 91 26.899 -1.570 15.469 1.00 0.00 C ATOM 1416 O GLN A 91 27.104 -2.526 14.721 1.00 0.00 O ATOM 1417 CB GLN A 91 24.591 -0.822 16.082 1.00 0.00 C ATOM 1418 CG GLN A 91 23.483 0.210 15.938 1.00 0.00 C ATOM 1419 CD GLN A 91 23.142 0.888 17.252 1.00 0.00 C ATOM 1420 OE1 GLN A 91 23.982 1.557 17.855 1.00 0.00 O ATOM 1421 NE2 GLN A 91 21.905 0.717 17.703 1.00 0.00 N ATOM 0 H GLN A 91 24.542 -1.177 13.599 1.00 0.00 H new ATOM 0 HA GLN A 91 26.176 0.437 15.360 1.00 0.00 H new ATOM 0 HB2 GLN A 91 24.186 -1.810 15.865 1.00 0.00 H new ATOM 0 HB3 GLN A 91 24.930 -0.837 17.118 1.00 0.00 H new ATOM 0 HG2 GLN A 91 23.787 0.965 15.212 1.00 0.00 H new ATOM 0 HG3 GLN A 91 22.591 -0.274 15.541 1.00 0.00 H new ATOM 0 HE21 GLN A 91 21.241 0.154 17.171 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.618 1.148 18.582 1.00 0.00 H new ATOM 1430 N ALA A 92 27.612 -1.345 16.569 1.00 0.00 N ATOM 1431 CA ALA A 92 28.699 -2.229 16.969 1.00 0.00 C ATOM 1432 C ALA A 92 28.178 -3.398 17.800 1.00 0.00 C ATOM 1433 O ALA A 92 27.939 -4.476 17.218 1.00 0.00 O ATOM 1434 CB ALA A 92 29.749 -1.453 17.750 1.00 0.00 C ATOM 1435 OXT ALA A 92 28.017 -3.225 19.025 1.00 0.00 O ATOM 0 H ALA A 92 27.455 -0.558 17.198 1.00 0.00 H new ATOM 0 HA ALA A 92 29.157 -2.633 16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 92 30.555 -2.125 18.043 1.00 0.00 H new ATOM 0 HB2 ALA A 92 30.151 -0.655 17.126 1.00 0.00 H new ATOM 0 HB3 ALA A 92 29.294 -1.022 18.642 1.00 0.00 H new TER 1441 ALA A 92