USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 25 SER OG : rot 69:sc= 1.23 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.354 K(o=1.6,f=-3.7!) USER MOD Set 2.1: A 41 THR OG1 : rot 177:sc= 0.959 USER MOD Set 2.2: A 99 LYS NZ :NH3+ -142:sc= 1.11 (180deg=0) USER MOD Set 3.1: A 5 ASN : amide:sc= 0.859 K(o=1.8,f=-0.99) USER MOD Set 3.2: A 6 THR OG1 : rot 67:sc= 0.977 USER MOD Single : A 1 ALA N :NH3+ -167:sc= 1.22 (180deg=0.815) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 9 ASN : amide:sc= -0.0469 K(o=-0.047,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0.101 USER MOD Single : A 17 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.1) USER MOD Single : A 18 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 151:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.67) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.905) USER MOD Single : A 29 SER OG : rot -73:sc= 1.08 USER MOD Single : A 30 LYS NZ :NH3+ -115:sc= 1.22 (180deg=-0.285) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -80:sc= -0.278 USER MOD Single : A 36 SER OG : rot -120:sc= 1.07 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.22) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 1.28 (180deg=-0.393) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.128 USER MOD Single : A 85 GLN : amide:sc= 0.174 X(o=0.17,f=-0.22) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 144:sc= 0.386 (180deg=0.015) USER MOD Single : A 93 ASN : amide:sc= -0.0627 X(o=-0.063,f=-0.063) USER MOD Single : A 102 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.465 -33.187 -1.042 1.00 0.00 N ATOM 2 CA ALA A 1 6.705 -32.384 -0.910 1.00 0.00 C ATOM 3 C ALA A 1 6.734 -31.281 -1.962 1.00 0.00 C ATOM 4 O ALA A 1 7.269 -30.194 -1.738 1.00 0.00 O ATOM 5 CB ALA A 1 7.934 -33.277 -1.043 1.00 0.00 C ATOM 0 H1 ALA A 1 5.347 -33.785 -0.199 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.647 -32.551 -1.132 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.530 -33.789 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 1 6.718 -31.924 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.836 -32.672 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.918 -34.036 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.928 -33.762 -2.019 1.00 0.00 H new ATOM 13 N GLU A 2 6.148 -31.578 -3.110 1.00 0.00 N ATOM 14 CA GLU A 2 6.079 -30.639 -4.220 1.00 0.00 C ATOM 15 C GLU A 2 4.990 -29.599 -3.974 1.00 0.00 C ATOM 16 O GLU A 2 3.913 -29.920 -3.467 1.00 0.00 O ATOM 17 CB GLU A 2 5.805 -31.383 -5.539 1.00 0.00 C ATOM 18 CG GLU A 2 6.053 -32.890 -5.474 1.00 0.00 C ATOM 19 CD GLU A 2 4.956 -33.637 -4.736 1.00 0.00 C ATOM 20 OE1 GLU A 2 3.844 -33.766 -5.286 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.201 -34.068 -3.586 1.00 0.00 O ATOM 0 H GLU A 2 5.706 -32.477 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 2 7.040 -30.130 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.770 -31.209 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.434 -30.956 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.136 -33.284 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.007 -33.075 -4.981 1.00 0.00 H new ATOM 28 N PHE A 3 5.271 -28.358 -4.343 1.00 0.00 N ATOM 29 CA PHE A 3 4.314 -27.274 -4.172 1.00 0.00 C ATOM 30 C PHE A 3 3.729 -26.871 -5.518 1.00 0.00 C ATOM 31 O PHE A 3 3.752 -25.695 -5.896 1.00 0.00 O ATOM 32 CB PHE A 3 4.983 -26.069 -3.510 1.00 0.00 C ATOM 33 CG PHE A 3 4.889 -26.085 -2.011 1.00 0.00 C ATOM 34 CD1 PHE A 3 3.667 -26.262 -1.380 1.00 0.00 C ATOM 35 CD2 PHE A 3 6.022 -25.922 -1.233 1.00 0.00 C ATOM 36 CE1 PHE A 3 3.580 -26.280 -0.002 1.00 0.00 C ATOM 37 CE2 PHE A 3 5.942 -25.939 0.146 1.00 0.00 C ATOM 38 CZ PHE A 3 4.719 -26.116 0.761 1.00 0.00 C ATOM 0 H PHE A 3 6.156 -28.076 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 3 3.508 -27.624 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.033 -26.040 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.523 -25.155 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.773 -26.387 -1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.981 -25.780 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.623 -26.422 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.834 -25.814 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.653 -26.126 1.839 1.00 0.00 H new ATOM 48 N GLY A 4 3.283 -27.867 -6.271 1.00 0.00 N ATOM 49 CA GLY A 4 2.789 -27.618 -7.605 1.00 0.00 C ATOM 50 C GLY A 4 3.902 -27.167 -8.522 1.00 0.00 C ATOM 51 O GLY A 4 5.013 -27.697 -8.461 1.00 0.00 O ATOM 0 H GLY A 4 3.256 -28.844 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.332 -28.524 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.010 -26.856 -7.571 1.00 0.00 H new ATOM 55 N ASN A 5 3.634 -26.155 -9.325 1.00 0.00 N ATOM 56 CA ASN A 5 4.648 -25.602 -10.206 1.00 0.00 C ATOM 57 C ASN A 5 4.479 -24.092 -10.334 1.00 0.00 C ATOM 58 O ASN A 5 3.400 -23.608 -10.670 1.00 0.00 O ATOM 59 CB ASN A 5 4.571 -26.268 -11.584 1.00 0.00 C ATOM 60 CG ASN A 5 5.744 -25.910 -12.475 1.00 0.00 C ATOM 61 OD1 ASN A 5 5.852 -24.779 -12.952 1.00 0.00 O ATOM 62 ND2 ASN A 5 6.624 -26.869 -12.712 1.00 0.00 N ATOM 0 H ASN A 5 2.724 -25.699 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 5 5.629 -25.802 -9.776 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.533 -27.350 -11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.644 -25.972 -12.075 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.430 -26.685 -13.310 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.497 -27.792 -12.297 1.00 0.00 H new ATOM 69 N THR A 6 5.549 -23.362 -10.032 1.00 0.00 N ATOM 70 CA THR A 6 5.548 -21.904 -10.075 1.00 0.00 C ATOM 71 C THR A 6 4.617 -21.308 -9.017 1.00 0.00 C ATOM 72 O THR A 6 3.549 -20.785 -9.327 1.00 0.00 O ATOM 73 CB THR A 6 5.170 -21.362 -11.472 1.00 0.00 C ATOM 74 OG1 THR A 6 5.875 -22.093 -12.487 1.00 0.00 O ATOM 75 CG2 THR A 6 5.511 -19.884 -11.586 1.00 0.00 C ATOM 0 H THR A 6 6.442 -23.766 -9.750 1.00 0.00 H new ATOM 0 HA THR A 6 6.569 -21.593 -9.856 1.00 0.00 H new ATOM 0 HB THR A 6 4.096 -21.487 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.551 -23.018 -12.508 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.237 -19.523 -12.577 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.960 -19.324 -10.830 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.581 -19.745 -11.432 1.00 0.00 H new ATOM 83 N LYS A 7 5.088 -21.296 -7.777 1.00 0.00 N ATOM 84 CA LYS A 7 4.362 -20.652 -6.686 1.00 0.00 C ATOM 85 C LYS A 7 4.811 -19.196 -6.567 1.00 0.00 C ATOM 86 O LYS A 7 4.966 -18.659 -5.471 1.00 0.00 O ATOM 87 CB LYS A 7 4.606 -21.395 -5.364 1.00 0.00 C ATOM 88 CG LYS A 7 3.457 -21.283 -4.369 1.00 0.00 C ATOM 89 CD LYS A 7 3.880 -20.531 -3.115 1.00 0.00 C ATOM 90 CE LYS A 7 2.919 -20.769 -1.961 1.00 0.00 C ATOM 91 NZ LYS A 7 3.494 -20.331 -0.661 1.00 0.00 N ATOM 0 H LYS A 7 5.971 -21.725 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 7 3.294 -20.683 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.786 -22.448 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.513 -21.005 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.617 -20.770 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.110 -22.280 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.882 -20.845 -2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.931 -19.464 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.989 -20.231 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.670 -21.829 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.808 -20.510 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.368 -20.862 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.709 -19.314 -0.701 1.00 0.00 H new ATOM 105 N ASN A 8 5.070 -18.585 -7.712 1.00 0.00 N ATOM 106 CA ASN A 8 5.561 -17.218 -7.759 1.00 0.00 C ATOM 107 C ASN A 8 4.660 -16.367 -8.640 1.00 0.00 C ATOM 108 O ASN A 8 4.021 -16.878 -9.561 1.00 0.00 O ATOM 109 CB ASN A 8 6.993 -17.180 -8.304 1.00 0.00 C ATOM 110 CG ASN A 8 8.006 -17.828 -7.378 1.00 0.00 C ATOM 111 OD1 ASN A 8 7.872 -17.788 -6.155 1.00 0.00 O ATOM 112 ND2 ASN A 8 9.037 -18.423 -7.961 1.00 0.00 N ATOM 0 H ASN A 8 4.947 -19.018 -8.627 1.00 0.00 H new ATOM 0 HA ASN A 8 5.557 -16.818 -6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.020 -17.684 -9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.281 -16.143 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.756 -18.870 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.111 -18.434 -8.978 1.00 0.00 H new ATOM 119 N ASN A 9 4.641 -15.069 -8.379 1.00 0.00 N ATOM 120 CA ASN A 9 3.854 -14.128 -9.169 1.00 0.00 C ATOM 121 C ASN A 9 4.326 -12.704 -8.910 1.00 0.00 C ATOM 122 O ASN A 9 3.932 -12.075 -7.929 1.00 0.00 O ATOM 123 CB ASN A 9 2.360 -14.255 -8.843 1.00 0.00 C ATOM 124 CG ASN A 9 1.476 -13.592 -9.884 1.00 0.00 C ATOM 125 OD1 ASN A 9 1.949 -12.849 -10.746 1.00 0.00 O ATOM 126 ND2 ASN A 9 0.182 -13.866 -9.819 1.00 0.00 N ATOM 0 H ASN A 9 5.167 -14.638 -7.619 1.00 0.00 H new ATOM 0 HA ASN A 9 3.996 -14.365 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.097 -15.310 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.165 -13.807 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.461 -13.457 -10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.172 -14.486 -9.091 1.00 0.00 H new ATOM 133 N GLY A 10 5.208 -12.224 -9.770 1.00 0.00 N ATOM 134 CA GLY A 10 5.765 -10.899 -9.607 1.00 0.00 C ATOM 135 C GLY A 10 5.615 -10.064 -10.859 1.00 0.00 C ATOM 136 O GLY A 10 4.865 -10.427 -11.765 1.00 0.00 O ATOM 0 H GLY A 10 5.551 -12.733 -10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.270 -10.397 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.821 -10.979 -9.349 1.00 0.00 H new ATOM 140 N ALA A 11 6.344 -8.957 -10.917 1.00 0.00 N ATOM 141 CA ALA A 11 6.314 -8.068 -12.071 1.00 0.00 C ATOM 142 C ALA A 11 7.526 -7.150 -12.054 1.00 0.00 C ATOM 143 O ALA A 11 8.325 -7.189 -11.116 1.00 0.00 O ATOM 144 CB ALA A 11 5.031 -7.248 -12.080 1.00 0.00 C ATOM 0 H ALA A 11 6.969 -8.651 -10.171 1.00 0.00 H new ATOM 0 HA ALA A 11 6.342 -8.673 -12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.026 -6.590 -12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.172 -7.917 -12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.976 -6.649 -11.171 1.00 0.00 H new ATOM 150 N SER A 12 7.641 -6.307 -13.070 1.00 0.00 N ATOM 151 CA SER A 12 8.733 -5.353 -13.150 1.00 0.00 C ATOM 152 C SER A 12 8.567 -4.268 -12.090 1.00 0.00 C ATOM 153 O SER A 12 7.485 -3.702 -11.935 1.00 0.00 O ATOM 154 CB SER A 12 8.775 -4.742 -14.548 1.00 0.00 C ATOM 155 OG SER A 12 7.982 -5.501 -15.449 1.00 0.00 O ATOM 0 H SER A 12 6.988 -6.266 -13.852 1.00 0.00 H new ATOM 0 HA SER A 12 9.676 -5.867 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.413 -3.715 -14.513 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.805 -4.705 -14.904 1.00 0.00 H new ATOM 0 HG SER A 12 8.019 -5.094 -16.340 1.00 0.00 H new ATOM 161 N GLY A 13 9.599 -4.080 -11.284 1.00 0.00 N ATOM 162 CA GLY A 13 9.505 -3.175 -10.161 1.00 0.00 C ATOM 163 C GLY A 13 9.247 -3.925 -8.874 1.00 0.00 C ATOM 164 O GLY A 13 8.436 -3.503 -8.047 1.00 0.00 O ATOM 0 H GLY A 13 10.503 -4.540 -11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.429 -2.604 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.702 -2.458 -10.334 1.00 0.00 H new ATOM 168 N ALA A 14 9.923 -5.062 -8.723 1.00 0.00 N ATOM 169 CA ALA A 14 9.760 -5.919 -7.555 1.00 0.00 C ATOM 170 C ALA A 14 10.139 -5.192 -6.271 1.00 0.00 C ATOM 171 O ALA A 14 9.602 -5.485 -5.209 1.00 0.00 O ATOM 172 CB ALA A 14 10.591 -7.185 -7.710 1.00 0.00 C ATOM 0 H ALA A 14 10.596 -5.412 -9.405 1.00 0.00 H new ATOM 0 HA ALA A 14 8.707 -6.190 -7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.460 -7.816 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.266 -7.727 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.643 -6.919 -7.813 1.00 0.00 H new ATOM 178 N ASP A 15 11.035 -4.219 -6.386 1.00 0.00 N ATOM 179 CA ASP A 15 11.453 -3.416 -5.239 1.00 0.00 C ATOM 180 C ASP A 15 10.257 -2.692 -4.627 1.00 0.00 C ATOM 181 O ASP A 15 9.965 -2.834 -3.439 1.00 0.00 O ATOM 182 CB ASP A 15 12.508 -2.396 -5.669 1.00 0.00 C ATOM 183 CG ASP A 15 13.408 -1.958 -4.531 1.00 0.00 C ATOM 184 OD1 ASP A 15 14.453 -2.607 -4.314 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.092 -0.951 -3.867 1.00 0.00 O ATOM 0 H ASP A 15 11.488 -3.965 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 15 11.881 -4.082 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.119 -2.826 -6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.010 -1.522 -6.088 1.00 0.00 H new ATOM 190 N ILE A 16 9.563 -1.927 -5.456 1.00 0.00 N ATOM 191 CA ILE A 16 8.392 -1.179 -5.020 1.00 0.00 C ATOM 192 C ILE A 16 7.226 -2.112 -4.717 1.00 0.00 C ATOM 193 O ILE A 16 6.498 -1.912 -3.745 1.00 0.00 O ATOM 194 CB ILE A 16 7.949 -0.153 -6.087 1.00 0.00 C ATOM 195 CG1 ILE A 16 9.165 0.458 -6.791 1.00 0.00 C ATOM 196 CG2 ILE A 16 7.100 0.940 -5.456 1.00 0.00 C ATOM 197 CD1 ILE A 16 9.158 0.252 -8.289 1.00 0.00 C ATOM 0 H ILE A 16 9.793 -1.807 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 16 8.677 -0.648 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 16 7.347 -0.675 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.199 1.527 -6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.073 0.021 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.797 1.654 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.214 0.496 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.680 1.455 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.047 0.709 -8.723 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.155 -0.815 -8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.267 0.713 -8.716 1.00 0.00 H new ATOM 209 N ASN A 17 7.023 -3.102 -5.581 1.00 0.00 N ATOM 210 CA ASN A 17 5.902 -4.031 -5.438 1.00 0.00 C ATOM 211 C ASN A 17 6.007 -4.845 -4.152 1.00 0.00 C ATOM 212 O ASN A 17 4.993 -5.222 -3.568 1.00 0.00 O ATOM 213 CB ASN A 17 5.821 -4.972 -6.642 1.00 0.00 C ATOM 214 CG ASN A 17 4.458 -4.941 -7.309 1.00 0.00 C ATOM 215 OD1 ASN A 17 3.444 -4.629 -6.683 1.00 0.00 O ATOM 216 ND2 ASN A 17 4.422 -5.261 -8.592 1.00 0.00 N ATOM 0 H ASN A 17 7.619 -3.283 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 17 4.992 -3.433 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.585 -4.695 -7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.042 -5.990 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.534 -5.254 -9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.282 -5.514 -9.079 1.00 0.00 H new ATOM 223 N ASN A 18 7.234 -5.091 -3.703 1.00 0.00 N ATOM 224 CA ASN A 18 7.466 -5.840 -2.469 1.00 0.00 C ATOM 225 C ASN A 18 6.874 -5.105 -1.272 1.00 0.00 C ATOM 226 O ASN A 18 6.176 -5.698 -0.448 1.00 0.00 O ATOM 227 CB ASN A 18 8.966 -6.065 -2.249 1.00 0.00 C ATOM 228 CG ASN A 18 9.257 -7.263 -1.362 1.00 0.00 C ATOM 229 OD1 ASN A 18 8.345 -7.965 -0.921 1.00 0.00 O ATOM 230 ND2 ASN A 18 10.532 -7.503 -1.093 1.00 0.00 N ATOM 0 H ASN A 18 8.085 -4.783 -4.174 1.00 0.00 H new ATOM 0 HA ASN A 18 6.973 -6.807 -2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.453 -6.206 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.401 -5.172 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.788 -8.293 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.257 -6.898 -1.478 1.00 0.00 H new ATOM 237 N TYR A 19 7.125 -3.805 -1.191 1.00 0.00 N ATOM 238 CA TYR A 19 6.583 -3.006 -0.101 1.00 0.00 C ATOM 239 C TYR A 19 5.110 -2.689 -0.341 1.00 0.00 C ATOM 240 O TYR A 19 4.327 -2.595 0.603 1.00 0.00 O ATOM 241 CB TYR A 19 7.389 -1.724 0.095 1.00 0.00 C ATOM 242 CG TYR A 19 7.985 -1.622 1.478 1.00 0.00 C ATOM 243 CD1 TYR A 19 9.156 -2.297 1.800 1.00 0.00 C ATOM 244 CD2 TYR A 19 7.369 -0.867 2.467 1.00 0.00 C ATOM 245 CE1 TYR A 19 9.694 -2.224 3.069 1.00 0.00 C ATOM 246 CE2 TYR A 19 7.898 -0.793 3.740 1.00 0.00 C ATOM 247 CZ TYR A 19 9.064 -1.470 4.034 1.00 0.00 C ATOM 248 OH TYR A 19 9.592 -1.403 5.300 1.00 0.00 O ATOM 0 H TYR A 19 7.694 -3.286 -1.860 1.00 0.00 H new ATOM 0 HA TYR A 19 6.660 -3.593 0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.188 -1.684 -0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.745 -0.863 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.653 -2.888 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.461 -0.329 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.604 -2.755 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.402 -0.209 4.501 1.00 0.00 H new ATOM 0 HH TYR A 19 9.362 -0.541 5.705 1.00 0.00 H new ATOM 258 N ALA A 20 4.723 -2.615 -1.609 1.00 0.00 N ATOM 259 CA ALA A 20 3.324 -2.411 -1.967 1.00 0.00 C ATOM 260 C ALA A 20 2.481 -3.591 -1.501 1.00 0.00 C ATOM 261 O ALA A 20 1.352 -3.421 -1.035 1.00 0.00 O ATOM 262 CB ALA A 20 3.182 -2.215 -3.469 1.00 0.00 C ATOM 0 H ALA A 20 5.356 -2.693 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 20 2.966 -1.511 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.132 -2.064 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.757 -1.342 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.555 -3.098 -3.988 1.00 0.00 H new ATOM 268 N GLY A 21 3.065 -4.782 -1.577 1.00 0.00 N ATOM 269 CA GLY A 21 2.394 -5.977 -1.109 1.00 0.00 C ATOM 270 C GLY A 21 2.209 -5.966 0.395 1.00 0.00 C ATOM 271 O GLY A 21 1.191 -6.431 0.904 1.00 0.00 O ATOM 0 H GLY A 21 3.998 -4.940 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.422 -6.062 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.972 -6.855 -1.398 1.00 0.00 H new ATOM 275 N GLN A 22 3.173 -5.379 1.099 1.00 0.00 N ATOM 276 CA GLN A 22 3.099 -5.243 2.550 1.00 0.00 C ATOM 277 C GLN A 22 1.874 -4.427 2.943 1.00 0.00 C ATOM 278 O GLN A 22 1.120 -4.807 3.838 1.00 0.00 O ATOM 279 CB GLN A 22 4.365 -4.567 3.086 1.00 0.00 C ATOM 280 CG GLN A 22 5.341 -5.506 3.780 1.00 0.00 C ATOM 281 CD GLN A 22 4.967 -6.971 3.644 1.00 0.00 C ATOM 282 OE1 GLN A 22 5.158 -7.582 2.590 1.00 0.00 O ATOM 283 NE2 GLN A 22 4.447 -7.549 4.714 1.00 0.00 N ATOM 0 H GLN A 22 4.019 -4.988 0.685 1.00 0.00 H new ATOM 0 HA GLN A 22 3.017 -6.239 2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.878 -4.078 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.074 -3.784 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.338 -5.353 3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.392 -5.248 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.305 -7.009 5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.188 -8.535 4.686 1.00 0.00 H new ATOM 292 N ILE A 23 1.669 -3.317 2.244 1.00 0.00 N ATOM 293 CA ILE A 23 0.522 -2.453 2.493 1.00 0.00 C ATOM 294 C ILE A 23 -0.783 -3.176 2.165 1.00 0.00 C ATOM 295 O ILE A 23 -1.732 -3.145 2.947 1.00 0.00 O ATOM 296 CB ILE A 23 0.617 -1.144 1.675 1.00 0.00 C ATOM 297 CG1 ILE A 23 1.840 -0.337 2.116 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.649 -0.312 1.833 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.585 0.305 0.968 1.00 0.00 C ATOM 0 H ILE A 23 2.285 -2.993 1.498 1.00 0.00 H new ATOM 0 HA ILE A 23 0.529 -2.198 3.553 1.00 0.00 H new ATOM 0 HB ILE A 23 0.724 -1.404 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.521 0.439 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.521 -0.992 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.558 0.603 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.507 -0.884 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.789 -0.059 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.440 0.861 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.934 -0.468 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.919 0.986 0.438 1.00 0.00 H new ATOM 311 N LYS A 24 -0.813 -3.845 1.017 1.00 0.00 N ATOM 312 CA LYS A 24 -1.993 -4.595 0.593 1.00 0.00 C ATOM 313 C LYS A 24 -2.336 -5.692 1.603 1.00 0.00 C ATOM 314 O LYS A 24 -3.508 -5.974 1.861 1.00 0.00 O ATOM 315 CB LYS A 24 -1.763 -5.203 -0.795 1.00 0.00 C ATOM 316 CG LYS A 24 -1.781 -4.180 -1.923 1.00 0.00 C ATOM 317 CD LYS A 24 -1.597 -4.840 -3.283 1.00 0.00 C ATOM 318 CE LYS A 24 -0.499 -4.167 -4.091 1.00 0.00 C ATOM 319 NZ LYS A 24 -0.893 -3.976 -5.515 1.00 0.00 N ATOM 0 H LYS A 24 -0.033 -3.884 0.361 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.836 -3.905 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.803 -5.720 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.531 -5.953 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.726 -3.637 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.989 -3.448 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.354 -5.894 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.534 -4.798 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.263 -3.200 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.408 -4.770 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.275 -3.263 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.798 -4.877 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.881 -3.654 -5.562 1.00 0.00 H new ATOM 333 N SER A 25 -1.308 -6.292 2.184 1.00 0.00 N ATOM 334 CA SER A 25 -1.491 -7.339 3.180 1.00 0.00 C ATOM 335 C SER A 25 -1.987 -6.757 4.503 1.00 0.00 C ATOM 336 O SER A 25 -2.892 -7.314 5.126 1.00 0.00 O ATOM 337 CB SER A 25 -0.183 -8.101 3.381 1.00 0.00 C ATOM 338 OG SER A 25 0.254 -8.673 2.159 1.00 0.00 O ATOM 0 H SER A 25 -0.333 -6.071 1.982 1.00 0.00 H new ATOM 0 HA SER A 25 -2.250 -8.032 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.581 -7.427 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.323 -8.884 4.126 1.00 0.00 H new ATOM 0 HG SER A 25 0.537 -7.961 1.547 1.00 0.00 H new ATOM 344 N ALA A 26 -1.437 -5.606 4.888 1.00 0.00 N ATOM 345 CA ALA A 26 -1.868 -4.905 6.099 1.00 0.00 C ATOM 346 C ALA A 26 -3.349 -4.573 6.027 1.00 0.00 C ATOM 347 O ALA A 26 -4.073 -4.618 7.024 1.00 0.00 O ATOM 348 CB ALA A 26 -1.071 -3.622 6.272 1.00 0.00 C ATOM 0 H ALA A 26 -0.689 -5.137 4.377 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.693 -5.560 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.400 -3.109 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.011 -3.861 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.230 -2.975 5.409 1.00 0.00 H new ATOM 354 N ILE A 27 -3.776 -4.202 4.837 1.00 0.00 N ATOM 355 CA ILE A 27 -5.148 -3.812 4.594 1.00 0.00 C ATOM 356 C ILE A 27 -6.101 -4.992 4.781 1.00 0.00 C ATOM 357 O ILE A 27 -7.179 -4.852 5.365 1.00 0.00 O ATOM 358 CB ILE A 27 -5.272 -3.226 3.171 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.625 -1.835 3.148 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.724 -3.177 2.706 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.912 -1.034 1.895 1.00 0.00 C ATOM 0 H ILE A 27 -3.180 -4.163 4.010 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.429 -3.050 5.321 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.748 -3.877 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.973 -1.271 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.546 -1.947 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.770 -2.759 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.138 -4.185 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.303 -2.552 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.417 -0.065 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.538 -1.573 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.987 -0.886 1.796 1.00 0.00 H new ATOM 373 N GLU A 28 -5.718 -6.149 4.262 1.00 0.00 N ATOM 374 CA GLU A 28 -6.568 -7.327 4.346 1.00 0.00 C ATOM 375 C GLU A 28 -6.554 -7.960 5.740 1.00 0.00 C ATOM 376 O GLU A 28 -7.502 -8.644 6.115 1.00 0.00 O ATOM 377 CB GLU A 28 -6.173 -8.355 3.293 1.00 0.00 C ATOM 378 CG GLU A 28 -7.304 -9.303 2.936 1.00 0.00 C ATOM 379 CD GLU A 28 -6.948 -10.739 3.241 1.00 0.00 C ATOM 380 OE1 GLU A 28 -5.742 -11.075 3.199 1.00 0.00 O ATOM 381 OE2 GLU A 28 -7.857 -11.534 3.530 1.00 0.00 O ATOM 0 H GLU A 28 -4.831 -6.297 3.781 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.588 -6.994 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.843 -7.837 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.324 -8.933 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.200 -9.025 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.541 -9.204 1.877 1.00 0.00 H new ATOM 388 N SER A 29 -5.517 -7.705 6.527 1.00 0.00 N ATOM 389 CA SER A 29 -5.478 -8.243 7.881 1.00 0.00 C ATOM 390 C SER A 29 -6.458 -7.482 8.769 1.00 0.00 C ATOM 391 O SER A 29 -7.032 -8.042 9.710 1.00 0.00 O ATOM 392 CB SER A 29 -4.065 -8.185 8.466 1.00 0.00 C ATOM 393 OG SER A 29 -3.248 -7.278 7.750 1.00 0.00 O ATOM 0 H SER A 29 -4.709 -7.143 6.260 1.00 0.00 H new ATOM 0 HA SER A 29 -5.772 -9.292 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.115 -7.885 9.513 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.618 -9.179 8.440 1.00 0.00 H new ATOM 0 HG SER A 29 -3.017 -7.663 6.879 1.00 0.00 H new ATOM 399 N LYS A 30 -6.725 -6.237 8.394 1.00 0.00 N ATOM 400 CA LYS A 30 -7.723 -5.431 9.077 1.00 0.00 C ATOM 401 C LYS A 30 -9.111 -5.753 8.533 1.00 0.00 C ATOM 402 O LYS A 30 -10.020 -6.103 9.285 1.00 0.00 O ATOM 403 CB LYS A 30 -7.414 -3.940 8.903 1.00 0.00 C ATOM 404 CG LYS A 30 -6.845 -3.287 10.153 1.00 0.00 C ATOM 405 CD LYS A 30 -5.326 -3.345 10.173 1.00 0.00 C ATOM 406 CE LYS A 30 -4.809 -3.956 11.467 1.00 0.00 C ATOM 407 NZ LYS A 30 -4.465 -2.921 12.481 1.00 0.00 N ATOM 0 H LYS A 30 -6.261 -5.765 7.618 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.698 -5.665 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.705 -3.817 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.327 -3.419 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.171 -2.248 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.240 -3.787 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.972 -3.932 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.921 -2.340 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.564 -4.627 11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.927 -4.561 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.442 -2.944 12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.731 -1.982 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.981 -3.114 13.363 1.00 0.00 H new ATOM 421 N PHE A 31 -9.252 -5.696 7.213 1.00 0.00 N ATOM 422 CA PHE A 31 -10.511 -6.042 6.561 1.00 0.00 C ATOM 423 C PHE A 31 -10.456 -7.476 6.049 1.00 0.00 C ATOM 424 O PHE A 31 -10.143 -7.723 4.884 1.00 0.00 O ATOM 425 CB PHE A 31 -10.810 -5.056 5.426 1.00 0.00 C ATOM 426 CG PHE A 31 -11.589 -3.850 5.889 1.00 0.00 C ATOM 427 CD1 PHE A 31 -11.180 -3.129 7.002 1.00 0.00 C ATOM 428 CD2 PHE A 31 -12.729 -3.440 5.220 1.00 0.00 C ATOM 429 CE1 PHE A 31 -11.894 -2.028 7.436 1.00 0.00 C ATOM 430 CE2 PHE A 31 -13.447 -2.340 5.648 1.00 0.00 C ATOM 431 CZ PHE A 31 -13.029 -1.632 6.756 1.00 0.00 C ATOM 0 H PHE A 31 -8.510 -5.413 6.573 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.322 -5.972 7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.871 -4.727 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.372 -5.568 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.292 -3.432 7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -13.062 -3.988 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.565 -1.478 8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.335 -2.034 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.588 -0.771 7.091 1.00 0.00 H new ATOM 441 N TYR A 32 -10.581 -8.402 6.993 1.00 0.00 N ATOM 442 CA TYR A 32 -10.354 -9.826 6.749 1.00 0.00 C ATOM 443 C TYR A 32 -11.181 -10.389 5.592 1.00 0.00 C ATOM 444 O TYR A 32 -10.647 -11.112 4.759 1.00 0.00 O ATOM 445 CB TYR A 32 -10.637 -10.638 8.020 1.00 0.00 C ATOM 446 CG TYR A 32 -11.417 -9.883 9.079 1.00 0.00 C ATOM 447 CD1 TYR A 32 -12.806 -9.864 9.066 1.00 0.00 C ATOM 448 CD2 TYR A 32 -10.762 -9.174 10.080 1.00 0.00 C ATOM 449 CE1 TYR A 32 -13.519 -9.166 10.022 1.00 0.00 C ATOM 450 CE2 TYR A 32 -11.469 -8.471 11.037 1.00 0.00 C ATOM 451 CZ TYR A 32 -12.847 -8.469 11.001 1.00 0.00 C ATOM 452 OH TYR A 32 -13.556 -7.763 11.948 1.00 0.00 O ATOM 0 H TYR A 32 -10.844 -8.187 7.955 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.306 -9.917 6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.191 -11.536 7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.689 -10.965 8.447 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -13.337 -10.404 8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.682 -9.173 10.110 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -14.599 -9.167 10.001 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.945 -7.926 11.809 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.933 -7.328 12.567 1.00 0.00 H new ATOM 462 N ASP A 33 -12.492 -10.167 5.602 1.00 0.00 N ATOM 463 CA ASP A 33 -13.368 -10.786 4.600 1.00 0.00 C ATOM 464 C ASP A 33 -13.764 -9.786 3.535 1.00 0.00 C ATOM 465 O ASP A 33 -14.290 -10.121 2.474 1.00 0.00 O ATOM 466 CB ASP A 33 -14.607 -11.396 5.279 1.00 0.00 C ATOM 467 CG ASP A 33 -15.677 -11.862 4.304 1.00 0.00 C ATOM 468 OD1 ASP A 33 -15.357 -12.642 3.381 1.00 0.00 O ATOM 469 OD2 ASP A 33 -16.850 -11.465 4.471 1.00 0.00 O ATOM 0 H ASP A 33 -12.970 -9.573 6.280 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.818 -11.589 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.294 -12.242 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.040 -10.657 5.953 1.00 0.00 H new ATOM 474 N ALA A 34 -13.430 -8.571 3.821 1.00 0.00 N ATOM 475 CA ALA A 34 -13.662 -7.464 2.913 1.00 0.00 C ATOM 476 C ALA A 34 -12.613 -7.405 1.814 1.00 0.00 C ATOM 477 O ALA A 34 -12.939 -7.313 0.631 1.00 0.00 O ATOM 478 CB ALA A 34 -13.648 -6.170 3.682 1.00 0.00 C ATOM 0 H ALA A 34 -12.983 -8.302 4.697 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.634 -7.617 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.822 -5.339 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.432 -6.188 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.679 -6.045 4.166 1.00 0.00 H new ATOM 484 N SER A 35 -11.357 -7.326 2.226 1.00 0.00 N ATOM 485 CA SER A 35 -10.265 -7.116 1.296 1.00 0.00 C ATOM 486 C SER A 35 -9.973 -8.377 0.479 1.00 0.00 C ATOM 487 O SER A 35 -9.274 -8.325 -0.531 1.00 0.00 O ATOM 488 CB SER A 35 -9.018 -6.653 2.038 1.00 0.00 C ATOM 489 OG SER A 35 -9.276 -5.464 2.762 1.00 0.00 O ATOM 0 H SER A 35 -11.071 -7.405 3.202 1.00 0.00 H new ATOM 0 HA SER A 35 -10.566 -6.335 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.684 -7.435 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.209 -6.483 1.328 1.00 0.00 H new ATOM 0 HG SER A 35 -9.239 -4.696 2.154 1.00 0.00 H new ATOM 495 N SER A 36 -10.492 -9.513 0.928 1.00 0.00 N ATOM 496 CA SER A 36 -10.273 -10.784 0.249 1.00 0.00 C ATOM 497 C SER A 36 -11.337 -11.012 -0.834 1.00 0.00 C ATOM 498 O SER A 36 -12.002 -12.050 -0.866 1.00 0.00 O ATOM 499 CB SER A 36 -10.303 -11.911 1.278 1.00 0.00 C ATOM 500 OG SER A 36 -11.240 -11.622 2.301 1.00 0.00 O ATOM 0 H SER A 36 -11.071 -9.580 1.765 1.00 0.00 H new ATOM 0 HA SER A 36 -9.300 -10.767 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.565 -12.850 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.311 -12.043 1.711 1.00 0.00 H new ATOM 0 HG SER A 36 -10.781 -11.592 3.166 1.00 0.00 H new ATOM 506 N TYR A 37 -11.542 -10.001 -1.666 1.00 0.00 N ATOM 507 CA TYR A 37 -12.580 -10.031 -2.695 1.00 0.00 C ATOM 508 C TYR A 37 -12.077 -10.678 -3.985 1.00 0.00 C ATOM 509 O TYR A 37 -12.631 -11.679 -4.442 1.00 0.00 O ATOM 510 CB TYR A 37 -13.039 -8.602 -2.994 1.00 0.00 C ATOM 511 CG TYR A 37 -14.507 -8.467 -3.338 1.00 0.00 C ATOM 512 CD1 TYR A 37 -15.021 -8.999 -4.516 1.00 0.00 C ATOM 513 CD2 TYR A 37 -15.378 -7.793 -2.491 1.00 0.00 C ATOM 514 CE1 TYR A 37 -16.358 -8.865 -4.836 1.00 0.00 C ATOM 515 CE2 TYR A 37 -16.716 -7.654 -2.804 1.00 0.00 C ATOM 516 CZ TYR A 37 -17.201 -8.193 -3.978 1.00 0.00 C ATOM 517 OH TYR A 37 -18.534 -8.055 -4.295 1.00 0.00 O ATOM 0 H TYR A 37 -10.998 -9.139 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.411 -10.628 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.824 -7.977 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.448 -8.211 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.364 -9.526 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.002 -7.370 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.741 -9.285 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.379 -7.127 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.989 -7.557 -3.584 1.00 0.00 H new ATOM 527 N ALA A 38 -11.114 -10.001 -4.618 1.00 0.00 N ATOM 528 CA ALA A 38 -10.595 -10.362 -5.938 1.00 0.00 C ATOM 529 C ALA A 38 -11.619 -10.043 -7.031 1.00 0.00 C ATOM 530 O ALA A 38 -12.732 -9.600 -6.740 1.00 0.00 O ATOM 531 CB ALA A 38 -10.168 -11.821 -5.984 1.00 0.00 C ATOM 0 H ALA A 38 -10.667 -9.175 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.707 -9.759 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.787 -12.058 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.386 -11.995 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.024 -12.458 -5.762 1.00 0.00 H new ATOM 537 N GLY A 39 -11.223 -10.200 -8.288 1.00 0.00 N ATOM 538 CA GLY A 39 -12.107 -9.867 -9.391 1.00 0.00 C ATOM 539 C GLY A 39 -12.080 -8.390 -9.745 1.00 0.00 C ATOM 540 O GLY A 39 -11.956 -8.026 -10.916 1.00 0.00 O ATOM 0 H GLY A 39 -10.306 -10.552 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.823 -10.451 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.126 -10.155 -9.133 1.00 0.00 H new ATOM 544 N LYS A 40 -12.252 -7.539 -8.742 1.00 0.00 N ATOM 545 CA LYS A 40 -12.307 -6.096 -8.959 1.00 0.00 C ATOM 546 C LYS A 40 -10.956 -5.445 -8.687 1.00 0.00 C ATOM 547 O LYS A 40 -10.090 -6.035 -8.040 1.00 0.00 O ATOM 548 CB LYS A 40 -13.370 -5.461 -8.057 1.00 0.00 C ATOM 549 CG LYS A 40 -14.774 -5.980 -8.311 1.00 0.00 C ATOM 550 CD LYS A 40 -15.570 -5.022 -9.179 1.00 0.00 C ATOM 551 CE LYS A 40 -17.040 -5.394 -9.201 1.00 0.00 C ATOM 552 NZ LYS A 40 -17.800 -4.747 -8.098 1.00 0.00 N ATOM 0 H LYS A 40 -12.356 -7.822 -7.768 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.570 -5.929 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.107 -5.645 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.359 -4.381 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.721 -6.955 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.288 -6.125 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.455 -4.005 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.174 -5.033 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.473 -5.102 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.140 -6.477 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.820 -4.875 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.534 -5.182 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.578 -3.731 -8.073 1.00 0.00 H new ATOM 566 N THR A 41 -10.809 -4.203 -9.127 1.00 0.00 N ATOM 567 CA THR A 41 -9.600 -3.435 -8.878 1.00 0.00 C ATOM 568 C THR A 41 -9.954 -2.049 -8.341 1.00 0.00 C ATOM 569 O THR A 41 -11.066 -1.555 -8.548 1.00 0.00 O ATOM 570 CB THR A 41 -8.749 -3.290 -10.158 1.00 0.00 C ATOM 571 OG1 THR A 41 -8.983 -4.401 -11.036 1.00 0.00 O ATOM 572 CG2 THR A 41 -7.266 -3.217 -9.821 1.00 0.00 C ATOM 0 H THR A 41 -11.519 -3.704 -9.662 1.00 0.00 H new ATOM 0 HA THR A 41 -9.014 -3.976 -8.135 1.00 0.00 H new ATOM 0 HB THR A 41 -9.042 -2.364 -10.653 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.477 -4.275 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.689 -3.115 -10.740 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.081 -2.356 -9.179 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.965 -4.128 -9.303 1.00 0.00 H new ATOM 580 N CYS A 42 -9.013 -1.435 -7.640 1.00 0.00 N ATOM 581 CA CYS A 42 -9.218 -0.117 -7.059 1.00 0.00 C ATOM 582 C CYS A 42 -7.930 0.693 -7.159 1.00 0.00 C ATOM 583 O CYS A 42 -6.839 0.126 -7.154 1.00 0.00 O ATOM 584 CB CYS A 42 -9.660 -0.259 -5.598 1.00 0.00 C ATOM 585 SG CYS A 42 -9.593 1.284 -4.629 1.00 0.00 S ATOM 0 H CYS A 42 -8.092 -1.833 -7.459 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.001 0.408 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.680 -0.641 -5.577 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.030 -1.005 -5.113 1.00 0.00 H new ATOM 590 N THR A 43 -8.052 2.009 -7.239 1.00 0.00 N ATOM 591 CA THR A 43 -6.888 2.877 -7.316 1.00 0.00 C ATOM 592 C THR A 43 -6.921 3.928 -6.217 1.00 0.00 C ATOM 593 O THR A 43 -7.623 4.939 -6.319 1.00 0.00 O ATOM 594 CB THR A 43 -6.787 3.577 -8.683 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.984 2.624 -9.735 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.429 4.246 -8.843 1.00 0.00 C ATOM 0 H THR A 43 -8.946 2.499 -7.252 1.00 0.00 H new ATOM 0 HA THR A 43 -6.012 2.242 -7.186 1.00 0.00 H new ATOM 0 HB THR A 43 -7.562 4.342 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.920 3.076 -10.602 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.377 4.735 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.294 4.988 -8.056 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.643 3.495 -8.772 1.00 0.00 H new ATOM 604 N LEU A 44 -6.117 3.711 -5.190 1.00 0.00 N ATOM 605 CA LEU A 44 -6.008 4.663 -4.104 1.00 0.00 C ATOM 606 C LEU A 44 -4.868 5.630 -4.373 1.00 0.00 C ATOM 607 O LEU A 44 -3.697 5.251 -4.342 1.00 0.00 O ATOM 608 CB LEU A 44 -5.776 3.945 -2.775 1.00 0.00 C ATOM 609 CG LEU A 44 -6.967 3.141 -2.251 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.622 2.498 -0.919 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.197 4.027 -2.111 1.00 0.00 C ATOM 0 H LEU A 44 -5.531 2.883 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.944 5.218 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.926 3.272 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.500 4.685 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.194 2.355 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.478 1.929 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.770 1.830 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.370 3.273 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.032 3.434 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.985 4.836 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.456 4.446 -3.083 1.00 0.00 H new ATOM 623 N ARG A 45 -5.212 6.887 -4.590 1.00 0.00 N ATOM 624 CA ARG A 45 -4.214 7.917 -4.807 1.00 0.00 C ATOM 625 C ARG A 45 -3.677 8.385 -3.469 1.00 0.00 C ATOM 626 O ARG A 45 -4.251 9.266 -2.828 1.00 0.00 O ATOM 627 CB ARG A 45 -4.805 9.090 -5.591 1.00 0.00 C ATOM 628 CG ARG A 45 -5.415 8.684 -6.920 1.00 0.00 C ATOM 629 CD ARG A 45 -4.509 9.037 -8.087 1.00 0.00 C ATOM 630 NE ARG A 45 -5.244 9.063 -9.348 1.00 0.00 N ATOM 631 CZ ARG A 45 -5.106 8.164 -10.319 1.00 0.00 C ATOM 632 NH1 ARG A 45 -4.190 7.207 -10.229 1.00 0.00 N ATOM 633 NH2 ARG A 45 -5.869 8.238 -11.395 1.00 0.00 N ATOM 0 H ARG A 45 -6.176 7.219 -4.620 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.397 7.502 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.569 9.575 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.023 9.828 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.606 7.611 -6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.378 9.179 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.051 10.011 -7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.699 8.311 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.909 9.822 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.584 7.156 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.092 6.523 -10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.561 8.983 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.766 7.551 -12.141 1.00 0.00 H new ATOM 647 N ILE A 46 -2.648 7.702 -2.998 1.00 0.00 N ATOM 648 CA ILE A 46 -2.112 7.963 -1.677 1.00 0.00 C ATOM 649 C ILE A 46 -0.850 8.810 -1.756 1.00 0.00 C ATOM 650 O ILE A 46 -0.114 8.775 -2.748 1.00 0.00 O ATOM 651 CB ILE A 46 -1.813 6.656 -0.906 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.639 5.907 -1.536 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.049 5.771 -0.867 1.00 0.00 C ATOM 654 CD1 ILE A 46 0.406 5.462 -0.534 1.00 0.00 C ATOM 0 H ILE A 46 -2.168 6.963 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.878 8.513 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.538 6.918 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.019 5.033 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.167 6.549 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.823 4.855 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.860 6.301 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.351 5.522 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.208 4.938 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.814 6.334 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.051 4.794 0.196 1.00 0.00 H new ATOM 666 N LYS A 47 -0.613 9.570 -0.706 1.00 0.00 N ATOM 667 CA LYS A 47 0.548 10.433 -0.615 1.00 0.00 C ATOM 668 C LYS A 47 1.175 10.274 0.765 1.00 0.00 C ATOM 669 O LYS A 47 0.734 10.904 1.731 1.00 0.00 O ATOM 670 CB LYS A 47 0.136 11.889 -0.849 1.00 0.00 C ATOM 671 CG LYS A 47 1.095 12.680 -1.726 1.00 0.00 C ATOM 672 CD LYS A 47 1.674 13.885 -0.994 1.00 0.00 C ATOM 673 CE LYS A 47 0.653 14.551 -0.079 1.00 0.00 C ATOM 674 NZ LYS A 47 -0.164 15.569 -0.790 1.00 0.00 N ATOM 0 H LYS A 47 -1.222 9.607 0.111 1.00 0.00 H new ATOM 0 HA LYS A 47 1.276 10.155 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.853 11.905 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.049 12.389 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.907 12.030 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.574 13.016 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.536 13.570 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.034 14.611 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.005 13.790 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.171 15.023 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.207 16.439 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.269 15.779 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.126 15.202 -0.935 1.00 0.00 H new ATOM 688 N LEU A 48 2.088 9.324 0.886 1.00 0.00 N ATOM 689 CA LEU A 48 2.640 8.969 2.180 1.00 0.00 C ATOM 690 C LEU A 48 3.730 9.940 2.603 1.00 0.00 C ATOM 691 O LEU A 48 4.767 10.041 1.958 1.00 0.00 O ATOM 692 CB LEU A 48 3.204 7.549 2.149 1.00 0.00 C ATOM 693 CG LEU A 48 3.028 6.762 3.441 1.00 0.00 C ATOM 694 CD1 LEU A 48 1.658 6.106 3.480 1.00 0.00 C ATOM 695 CD2 LEU A 48 4.129 5.724 3.578 1.00 0.00 C ATOM 0 H LEU A 48 2.461 8.786 0.104 1.00 0.00 H new ATOM 0 HA LEU A 48 1.830 9.021 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.724 7.001 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.267 7.601 1.914 1.00 0.00 H new ATOM 0 HG LEU A 48 3.099 7.450 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.548 5.548 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.886 6.873 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.556 5.426 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.992 5.168 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.088 5.036 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.099 6.222 3.593 1.00 0.00 H new ATOM 707 N ALA A 49 3.546 10.545 3.763 1.00 0.00 N ATOM 708 CA ALA A 49 4.581 11.378 4.348 1.00 0.00 C ATOM 709 C ALA A 49 5.689 10.489 4.905 1.00 0.00 C ATOM 710 O ALA A 49 5.430 9.337 5.267 1.00 0.00 O ATOM 711 CB ALA A 49 3.993 12.254 5.446 1.00 0.00 C ATOM 0 H ALA A 49 2.692 10.475 4.317 1.00 0.00 H new ATOM 0 HA ALA A 49 5.000 12.030 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.779 12.874 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.217 12.893 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.562 11.623 6.223 1.00 0.00 H new ATOM 717 N PRO A 50 6.940 10.989 4.966 1.00 0.00 N ATOM 718 CA PRO A 50 8.090 10.217 5.466 1.00 0.00 C ATOM 719 C PRO A 50 7.880 9.708 6.897 1.00 0.00 C ATOM 720 O PRO A 50 8.536 8.763 7.337 1.00 0.00 O ATOM 721 CB PRO A 50 9.259 11.211 5.414 1.00 0.00 C ATOM 722 CG PRO A 50 8.637 12.558 5.244 1.00 0.00 C ATOM 723 CD PRO A 50 7.338 12.336 4.525 1.00 0.00 C ATOM 0 HA PRO A 50 8.257 9.321 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.852 11.166 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.931 10.983 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.470 13.034 6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.290 13.218 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.594 13.085 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.462 12.386 3.443 1.00 0.00 H new ATOM 731 N ASP A 51 6.903 10.292 7.582 1.00 0.00 N ATOM 732 CA ASP A 51 6.520 9.863 8.924 1.00 0.00 C ATOM 733 C ASP A 51 5.840 8.494 8.881 1.00 0.00 C ATOM 734 O ASP A 51 5.655 7.847 9.910 1.00 0.00 O ATOM 735 CB ASP A 51 5.569 10.888 9.546 1.00 0.00 C ATOM 736 CG ASP A 51 5.716 10.984 11.050 1.00 0.00 C ATOM 737 OD1 ASP A 51 6.615 11.717 11.514 1.00 0.00 O ATOM 738 OD2 ASP A 51 4.926 10.342 11.774 1.00 0.00 O ATOM 0 H ASP A 51 6.355 11.074 7.225 1.00 0.00 H new ATOM 0 HA ASP A 51 7.422 9.786 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.756 11.866 9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.541 10.619 9.302 1.00 0.00 H new ATOM 743 N GLY A 52 5.449 8.077 7.684 1.00 0.00 N ATOM 744 CA GLY A 52 4.769 6.809 7.517 1.00 0.00 C ATOM 745 C GLY A 52 3.292 6.919 7.823 1.00 0.00 C ATOM 746 O GLY A 52 2.783 6.254 8.723 1.00 0.00 O ATOM 0 H GLY A 52 5.593 8.600 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.903 6.457 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.222 6.065 8.172 1.00 0.00 H new ATOM 750 N MET A 53 2.604 7.770 7.078 1.00 0.00 N ATOM 751 CA MET A 53 1.178 7.978 7.272 1.00 0.00 C ATOM 752 C MET A 53 0.552 8.522 5.997 1.00 0.00 C ATOM 753 O MET A 53 1.199 9.255 5.242 1.00 0.00 O ATOM 754 CB MET A 53 0.920 8.937 8.440 1.00 0.00 C ATOM 755 CG MET A 53 1.507 10.325 8.242 1.00 0.00 C ATOM 756 SD MET A 53 0.386 11.632 8.770 1.00 0.00 S ATOM 757 CE MET A 53 1.505 12.674 9.705 1.00 0.00 C ATOM 0 H MET A 53 3.013 8.330 6.330 1.00 0.00 H new ATOM 0 HA MET A 53 0.720 7.018 7.512 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.156 9.027 8.592 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.335 8.505 9.350 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.440 10.404 8.800 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.752 10.465 7.189 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.960 13.531 10.100 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.930 12.103 10.530 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.307 13.023 9.054 1.00 0.00 H new ATOM 767 N LEU A 54 -0.686 8.135 5.743 1.00 0.00 N ATOM 768 CA LEU A 54 -1.383 8.555 4.539 1.00 0.00 C ATOM 769 C LEU A 54 -2.296 9.731 4.841 1.00 0.00 C ATOM 770 O LEU A 54 -3.501 9.565 5.011 1.00 0.00 O ATOM 771 CB LEU A 54 -2.198 7.400 3.947 1.00 0.00 C ATOM 772 CG LEU A 54 -2.097 6.069 4.695 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.331 5.845 5.554 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.912 4.920 3.716 1.00 0.00 C ATOM 0 H LEU A 54 -1.231 7.529 6.356 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.637 8.862 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.246 7.698 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.877 7.243 2.917 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.226 6.107 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.241 4.894 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.420 6.653 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.217 5.828 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.842 3.981 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.763 4.880 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.998 5.074 3.143 1.00 0.00 H new ATOM 786 N LEU A 55 -1.719 10.927 4.865 1.00 0.00 N ATOM 787 CA LEU A 55 -2.500 12.138 5.097 1.00 0.00 C ATOM 788 C LEU A 55 -3.314 12.476 3.854 1.00 0.00 C ATOM 789 O LEU A 55 -4.324 13.178 3.923 1.00 0.00 O ATOM 790 CB LEU A 55 -1.600 13.327 5.475 1.00 0.00 C ATOM 791 CG LEU A 55 -0.130 13.225 5.047 1.00 0.00 C ATOM 792 CD1 LEU A 55 0.054 13.717 3.619 1.00 0.00 C ATOM 793 CD2 LEU A 55 0.750 14.025 5.994 1.00 0.00 C ATOM 0 H LEU A 55 -0.721 11.085 4.728 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.172 11.949 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.023 14.230 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.634 13.452 6.557 1.00 0.00 H new ATOM 0 HG LEU A 55 0.166 12.177 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.104 13.635 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.550 13.110 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.260 14.759 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.790 13.944 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.446 15.072 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.646 13.633 7.006 1.00 0.00 H new ATOM 805 N ASP A 56 -2.892 11.921 2.728 1.00 0.00 N ATOM 806 CA ASP A 56 -3.591 12.099 1.467 1.00 0.00 C ATOM 807 C ASP A 56 -3.924 10.740 0.876 1.00 0.00 C ATOM 808 O ASP A 56 -3.022 9.941 0.614 1.00 0.00 O ATOM 809 CB ASP A 56 -2.720 12.888 0.491 1.00 0.00 C ATOM 810 CG ASP A 56 -3.444 14.044 -0.166 1.00 0.00 C ATOM 811 OD1 ASP A 56 -4.666 14.191 0.039 1.00 0.00 O ATOM 812 OD2 ASP A 56 -2.781 14.820 -0.887 1.00 0.00 O ATOM 0 H ASP A 56 -2.058 11.337 2.664 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.512 12.654 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.848 13.270 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.352 12.214 -0.282 1.00 0.00 H new ATOM 817 N ILE A 57 -5.206 10.452 0.730 1.00 0.00 N ATOM 818 CA ILE A 57 -5.647 9.155 0.238 1.00 0.00 C ATOM 819 C ILE A 57 -7.070 9.245 -0.308 1.00 0.00 C ATOM 820 O ILE A 57 -8.021 9.493 0.432 1.00 0.00 O ATOM 821 CB ILE A 57 -5.565 8.067 1.346 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.284 6.788 0.907 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.138 8.580 2.663 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.866 5.560 1.688 1.00 0.00 C ATOM 0 H ILE A 57 -5.963 11.100 0.946 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.975 8.863 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.513 7.832 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.359 6.930 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.091 6.618 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.068 7.798 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.573 9.453 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.183 8.856 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.416 4.692 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.797 5.393 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.084 5.710 2.745 1.00 0.00 H new ATOM 836 N LYS A 58 -7.203 9.109 -1.619 1.00 0.00 N ATOM 837 CA LYS A 58 -8.501 9.235 -2.263 1.00 0.00 C ATOM 838 C LYS A 58 -8.693 8.163 -3.330 1.00 0.00 C ATOM 839 O LYS A 58 -7.807 7.929 -4.157 1.00 0.00 O ATOM 840 CB LYS A 58 -8.646 10.624 -2.890 1.00 0.00 C ATOM 841 CG LYS A 58 -9.703 11.488 -2.222 1.00 0.00 C ATOM 842 CD LYS A 58 -10.954 11.599 -3.077 1.00 0.00 C ATOM 843 CE LYS A 58 -12.201 11.758 -2.223 1.00 0.00 C ATOM 844 NZ LYS A 58 -12.879 13.058 -2.464 1.00 0.00 N ATOM 0 H LYS A 58 -6.431 8.912 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.269 9.101 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.686 11.137 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.894 10.512 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.961 11.064 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.298 12.483 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.862 12.452 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.050 10.710 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.893 10.943 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.931 11.679 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.724 13.126 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.228 13.836 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.160 13.123 -3.463 1.00 0.00 H new ATOM 858 N PRO A 59 -9.874 7.526 -3.354 1.00 0.00 N ATOM 859 CA PRO A 59 -10.221 6.514 -4.346 1.00 0.00 C ATOM 860 C PRO A 59 -10.666 7.152 -5.655 1.00 0.00 C ATOM 861 O PRO A 59 -11.862 7.244 -5.946 1.00 0.00 O ATOM 862 CB PRO A 59 -11.388 5.750 -3.702 1.00 0.00 C ATOM 863 CG PRO A 59 -11.650 6.416 -2.385 1.00 0.00 C ATOM 864 CD PRO A 59 -10.995 7.765 -2.446 1.00 0.00 C ATOM 0 HA PRO A 59 -9.374 5.874 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.273 5.784 -4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.135 4.699 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.721 6.513 -2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.243 5.825 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.672 8.529 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.659 8.099 -1.464 1.00 0.00 H new ATOM 872 N GLU A 60 -9.704 7.678 -6.396 1.00 0.00 N ATOM 873 CA GLU A 60 -9.992 8.403 -7.621 1.00 0.00 C ATOM 874 C GLU A 60 -10.596 7.481 -8.675 1.00 0.00 C ATOM 875 O GLU A 60 -11.483 7.879 -9.430 1.00 0.00 O ATOM 876 CB GLU A 60 -8.723 9.057 -8.155 1.00 0.00 C ATOM 877 CG GLU A 60 -8.989 10.317 -8.950 1.00 0.00 C ATOM 878 CD GLU A 60 -8.110 10.419 -10.172 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.995 10.964 -10.063 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.521 9.938 -11.247 1.00 0.00 O ATOM 0 H GLU A 60 -8.712 7.615 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.722 9.179 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.066 9.295 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.192 8.343 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.035 10.337 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.825 11.187 -8.314 1.00 0.00 H new ATOM 887 N GLY A 61 -10.157 6.235 -8.677 1.00 0.00 N ATOM 888 CA GLY A 61 -10.708 5.258 -9.593 1.00 0.00 C ATOM 889 C GLY A 61 -10.797 3.881 -8.971 1.00 0.00 C ATOM 890 O GLY A 61 -10.175 3.622 -7.942 1.00 0.00 O ATOM 0 H GLY A 61 -9.427 5.880 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.701 5.578 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.088 5.211 -10.489 1.00 0.00 H new ATOM 894 N GLY A 62 -11.582 3.008 -9.580 1.00 0.00 N ATOM 895 CA GLY A 62 -11.748 1.669 -9.053 1.00 0.00 C ATOM 896 C GLY A 62 -13.129 1.449 -8.478 1.00 0.00 C ATOM 897 O GLY A 62 -13.969 2.354 -8.502 1.00 0.00 O ATOM 0 H GLY A 62 -12.109 3.202 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.566 0.943 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.001 1.490 -8.279 1.00 0.00 H new ATOM 901 N ASP A 63 -13.372 0.246 -7.976 1.00 0.00 N ATOM 902 CA ASP A 63 -14.667 -0.100 -7.402 1.00 0.00 C ATOM 903 C ASP A 63 -14.910 0.672 -6.109 1.00 0.00 C ATOM 904 O ASP A 63 -14.089 0.628 -5.196 1.00 0.00 O ATOM 905 CB ASP A 63 -14.749 -1.600 -7.130 1.00 0.00 C ATOM 906 CG ASP A 63 -16.145 -2.036 -6.741 1.00 0.00 C ATOM 907 OD1 ASP A 63 -16.971 -2.271 -7.646 1.00 0.00 O ATOM 908 OD2 ASP A 63 -16.423 -2.149 -5.529 1.00 0.00 O ATOM 0 H ASP A 63 -12.687 -0.510 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.437 0.173 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.434 -2.146 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.053 -1.861 -6.333 1.00 0.00 H new ATOM 913 N PRO A 64 -16.020 1.427 -6.040 1.00 0.00 N ATOM 914 CA PRO A 64 -16.355 2.266 -4.881 1.00 0.00 C ATOM 915 C PRO A 64 -16.349 1.499 -3.560 1.00 0.00 C ATOM 916 O PRO A 64 -15.795 1.972 -2.565 1.00 0.00 O ATOM 917 CB PRO A 64 -17.766 2.763 -5.197 1.00 0.00 C ATOM 918 CG PRO A 64 -17.851 2.732 -6.682 1.00 0.00 C ATOM 919 CD PRO A 64 -17.016 1.562 -7.118 1.00 0.00 C ATOM 0 HA PRO A 64 -15.621 3.060 -4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.523 2.123 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.927 3.770 -4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.884 2.619 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.478 3.661 -7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.616 0.659 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.541 1.745 -8.082 1.00 0.00 H new ATOM 927 N ALA A 65 -16.970 0.324 -3.555 1.00 0.00 N ATOM 928 CA ALA A 65 -17.041 -0.498 -2.352 1.00 0.00 C ATOM 929 C ALA A 65 -15.666 -1.037 -1.983 1.00 0.00 C ATOM 930 O ALA A 65 -15.247 -0.957 -0.828 1.00 0.00 O ATOM 931 CB ALA A 65 -18.026 -1.642 -2.546 1.00 0.00 C ATOM 0 H ALA A 65 -17.431 -0.080 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.393 0.128 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.066 -2.245 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.016 -1.238 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.702 -2.264 -3.381 1.00 0.00 H new ATOM 937 N LEU A 66 -14.962 -1.571 -2.974 1.00 0.00 N ATOM 938 CA LEU A 66 -13.625 -2.115 -2.759 1.00 0.00 C ATOM 939 C LEU A 66 -12.679 -1.039 -2.232 1.00 0.00 C ATOM 940 O LEU A 66 -11.919 -1.270 -1.288 1.00 0.00 O ATOM 941 CB LEU A 66 -13.078 -2.701 -4.059 1.00 0.00 C ATOM 942 CG LEU A 66 -11.946 -3.711 -3.887 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.447 -4.969 -3.189 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.341 -4.053 -5.237 1.00 0.00 C ATOM 0 H LEU A 66 -15.295 -1.639 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.695 -2.907 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.896 -3.183 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.723 -1.884 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.173 -3.263 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.624 -5.675 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.838 -4.708 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.238 -5.425 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.535 -4.774 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.108 -4.483 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.945 -3.148 -5.698 1.00 0.00 H new ATOM 956 N CYS A 67 -12.752 0.143 -2.829 1.00 0.00 N ATOM 957 CA CYS A 67 -11.927 1.268 -2.409 1.00 0.00 C ATOM 958 C CYS A 67 -12.282 1.701 -0.990 1.00 0.00 C ATOM 959 O CYS A 67 -11.405 2.056 -0.205 1.00 0.00 O ATOM 960 CB CYS A 67 -12.100 2.444 -3.371 1.00 0.00 C ATOM 961 SG CYS A 67 -11.372 2.176 -5.021 1.00 0.00 S ATOM 0 H CYS A 67 -13.377 0.348 -3.609 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.885 0.947 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.164 2.651 -3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.648 3.331 -2.927 1.00 0.00 H new ATOM 966 N GLN A 68 -13.569 1.656 -0.662 1.00 0.00 N ATOM 967 CA GLN A 68 -14.040 2.032 0.669 1.00 0.00 C ATOM 968 C GLN A 68 -13.468 1.101 1.731 1.00 0.00 C ATOM 969 O GLN A 68 -13.054 1.544 2.803 1.00 0.00 O ATOM 970 CB GLN A 68 -15.567 1.992 0.719 1.00 0.00 C ATOM 971 CG GLN A 68 -16.164 2.860 1.810 1.00 0.00 C ATOM 972 CD GLN A 68 -17.410 3.581 1.348 1.00 0.00 C ATOM 973 OE1 GLN A 68 -17.345 4.715 0.874 1.00 0.00 O ATOM 974 NE2 GLN A 68 -18.556 2.940 1.496 1.00 0.00 N ATOM 0 H GLN A 68 -14.308 1.362 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.698 3.046 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.962 2.313 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.890 0.962 0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.404 2.241 2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.424 3.590 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.567 2.001 1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.429 3.385 1.213 1.00 0.00 H new ATOM 983 N ALA A 69 -13.423 -0.187 1.410 1.00 0.00 N ATOM 984 CA ALA A 69 -12.873 -1.184 2.317 1.00 0.00 C ATOM 985 C ALA A 69 -11.410 -0.877 2.622 1.00 0.00 C ATOM 986 O ALA A 69 -10.986 -0.902 3.779 1.00 0.00 O ATOM 987 CB ALA A 69 -13.013 -2.577 1.717 1.00 0.00 C ATOM 0 H ALA A 69 -13.762 -0.565 0.525 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.433 -1.151 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.598 -3.313 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.067 -2.795 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.474 -2.621 0.770 1.00 0.00 H new ATOM 993 N ALA A 70 -10.655 -0.563 1.579 1.00 0.00 N ATOM 994 CA ALA A 70 -9.247 -0.228 1.724 1.00 0.00 C ATOM 995 C ALA A 70 -9.062 1.105 2.449 1.00 0.00 C ATOM 996 O ALA A 70 -8.073 1.298 3.154 1.00 0.00 O ATOM 997 CB ALA A 70 -8.573 -0.197 0.361 1.00 0.00 C ATOM 0 H ALA A 70 -10.997 -0.533 0.618 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.776 -1.000 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.519 0.055 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.660 -1.176 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.055 0.552 -0.267 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.014 2.019 2.271 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.953 3.339 2.902 1.00 0.00 C ATOM 1005 C LEU A 71 -9.810 3.224 4.416 1.00 0.00 C ATOM 1006 O LEU A 71 -8.939 3.850 5.023 1.00 0.00 O ATOM 1007 CB LEU A 71 -11.213 4.145 2.580 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.243 4.809 1.205 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.542 5.579 1.018 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.051 5.735 1.025 1.00 0.00 C ATOM 0 H LEU A 71 -10.841 1.870 1.693 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.077 3.850 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.076 3.484 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.331 4.918 3.339 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.186 4.027 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.549 6.047 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.386 4.894 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.623 6.348 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.094 6.196 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.075 6.511 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.128 5.162 1.118 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.697 2.456 5.026 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.697 2.297 6.470 1.00 0.00 C ATOM 1024 C ALA A 72 -9.587 1.353 6.915 1.00 0.00 C ATOM 1025 O ALA A 72 -8.982 1.545 7.969 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.050 1.795 6.940 1.00 0.00 C ATOM 0 H ALA A 72 -11.427 1.932 4.543 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.509 3.270 6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.039 1.679 8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.822 2.512 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.263 0.833 6.475 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.342 0.327 6.115 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.326 -0.667 6.433 1.00 0.00 C ATOM 1034 C ALA A 73 -6.930 -0.058 6.460 1.00 0.00 C ATOM 1035 O ALA A 73 -6.151 -0.335 7.367 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.379 -1.809 5.436 1.00 0.00 C ATOM 0 H ALA A 73 -9.834 0.160 5.237 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.540 -1.050 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.615 -2.545 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.362 -2.279 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.199 -1.424 4.432 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.606 0.734 5.445 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.281 1.336 5.331 1.00 0.00 C ATOM 1044 C ALA A 74 -5.007 2.310 6.473 1.00 0.00 C ATOM 1045 O ALA A 74 -3.890 2.380 6.985 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.133 2.038 3.990 1.00 0.00 C ATOM 0 H ALA A 74 -7.244 0.975 4.687 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.545 0.534 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.140 2.482 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.266 1.316 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.887 2.820 3.904 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.027 3.060 6.871 1.00 0.00 N ATOM 1053 CA LYS A 75 -5.879 4.028 7.951 1.00 0.00 C ATOM 1054 C LYS A 75 -5.732 3.320 9.294 1.00 0.00 C ATOM 1055 O LYS A 75 -5.099 3.839 10.219 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.070 4.985 7.978 1.00 0.00 C ATOM 1057 CG LYS A 75 -6.993 6.071 6.916 1.00 0.00 C ATOM 1058 CD LYS A 75 -7.223 7.450 7.510 1.00 0.00 C ATOM 1059 CE LYS A 75 -8.088 8.310 6.600 1.00 0.00 C ATOM 1060 NZ LYS A 75 -9.529 8.214 6.949 1.00 0.00 N ATOM 0 H LYS A 75 -6.962 3.017 6.465 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.974 4.607 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.989 4.415 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.130 5.452 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.016 6.040 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.737 5.878 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.702 7.353 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.264 7.942 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.766 9.349 6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.944 8.001 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.083 8.815 6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.843 7.227 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.671 8.533 7.929 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.289 2.118 9.384 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.195 1.317 10.597 1.00 0.00 C ATOM 1076 C LEU A 76 -4.997 0.373 10.530 1.00 0.00 C ATOM 1077 O LEU A 76 -4.716 -0.365 11.479 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.481 0.513 10.802 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.353 0.969 11.971 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.797 0.545 11.756 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -7.823 0.410 13.284 1.00 0.00 C ATOM 0 H LEU A 76 -6.812 1.676 8.628 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.058 1.992 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.072 0.563 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.216 -0.533 10.953 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.317 2.057 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.403 0.878 12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.175 0.993 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.850 -0.541 11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.457 0.746 14.105 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.828 -0.679 13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.804 0.763 13.445 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.299 0.400 9.404 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.135 -0.447 9.200 1.00 0.00 C ATOM 1095 C ALA A 77 -1.873 0.274 9.649 1.00 0.00 C ATOM 1096 O ALA A 77 -1.828 1.504 9.679 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.024 -0.853 7.736 1.00 0.00 C ATOM 0 H ALA A 77 -4.522 1.004 8.613 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.251 -1.349 9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.148 -1.487 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.918 -1.402 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.926 0.039 7.117 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.842 -0.491 9.966 1.00 0.00 N ATOM 1104 CA LYS A 78 0.428 0.083 10.372 1.00 0.00 C ATOM 1105 C LYS A 78 1.380 0.132 9.189 1.00 0.00 C ATOM 1106 O LYS A 78 1.987 -0.874 8.825 1.00 0.00 O ATOM 1107 CB LYS A 78 1.048 -0.726 11.513 1.00 0.00 C ATOM 1108 CG LYS A 78 2.295 -0.083 12.101 1.00 0.00 C ATOM 1109 CD LYS A 78 2.462 -0.429 13.570 1.00 0.00 C ATOM 1110 CE LYS A 78 2.511 0.819 14.432 1.00 0.00 C ATOM 1111 NZ LYS A 78 2.742 0.495 15.864 1.00 0.00 N ATOM 0 H LYS A 78 -0.860 -1.511 9.950 1.00 0.00 H new ATOM 0 HA LYS A 78 0.249 1.098 10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.307 -0.854 12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.299 -1.722 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.173 -0.415 11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.236 0.999 11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.636 -1.063 13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.378 -1.004 13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.305 1.475 14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.574 1.367 14.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.769 1.374 16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.971 -0.110 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.648 -0.006 15.965 1.00 0.00 H new ATOM 1125 N ILE A 79 1.513 1.309 8.598 1.00 0.00 N ATOM 1126 CA ILE A 79 2.404 1.492 7.465 1.00 0.00 C ATOM 1127 C ILE A 79 3.800 1.850 7.959 1.00 0.00 C ATOM 1128 O ILE A 79 3.986 2.878 8.612 1.00 0.00 O ATOM 1129 CB ILE A 79 1.895 2.600 6.515 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.378 2.476 6.301 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.635 2.547 5.185 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.042 1.215 5.571 1.00 0.00 C ATOM 0 H ILE A 79 1.015 2.152 8.885 1.00 0.00 H new ATOM 0 HA ILE A 79 2.434 0.555 6.909 1.00 0.00 H new ATOM 0 HB ILE A 79 2.095 3.567 6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.119 2.504 7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.029 3.342 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.263 3.335 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.702 2.691 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.471 1.577 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.126 1.203 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.424 1.193 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.274 0.342 6.142 1.00 0.00 H new ATOM 1144 N PRO A 80 4.788 0.978 7.706 1.00 0.00 N ATOM 1145 CA PRO A 80 6.159 1.183 8.177 1.00 0.00 C ATOM 1146 C PRO A 80 6.767 2.467 7.625 1.00 0.00 C ATOM 1147 O PRO A 80 6.721 2.716 6.418 1.00 0.00 O ATOM 1148 CB PRO A 80 6.917 -0.039 7.646 1.00 0.00 C ATOM 1149 CG PRO A 80 5.866 -1.066 7.399 1.00 0.00 C ATOM 1150 CD PRO A 80 4.640 -0.303 6.990 1.00 0.00 C ATOM 0 HA PRO A 80 6.204 1.283 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.459 0.199 6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.652 -0.392 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.174 -1.761 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.678 -1.657 8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.597 -0.159 5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.727 -0.823 7.279 1.00 0.00 H new ATOM 1158 N LYS A 81 7.348 3.267 8.515 1.00 0.00 N ATOM 1159 CA LYS A 81 7.987 4.507 8.139 1.00 0.00 C ATOM 1160 C LYS A 81 9.119 4.230 7.157 1.00 0.00 C ATOM 1161 O LYS A 81 9.983 3.397 7.430 1.00 0.00 O ATOM 1162 CB LYS A 81 8.519 5.221 9.384 1.00 0.00 C ATOM 1163 CG LYS A 81 8.173 4.541 10.703 1.00 0.00 C ATOM 1164 CD LYS A 81 6.891 5.106 11.299 1.00 0.00 C ATOM 1165 CE LYS A 81 7.174 6.223 12.294 1.00 0.00 C ATOM 1166 NZ LYS A 81 6.300 6.128 13.494 1.00 0.00 N ATOM 0 H LYS A 81 7.385 3.067 9.514 1.00 0.00 H new ATOM 0 HA LYS A 81 7.256 5.154 7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.603 5.301 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.125 6.237 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.060 3.469 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.993 4.673 11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.254 5.484 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.339 4.308 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.219 6.180 12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.023 7.188 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.523 6.905 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.304 6.194 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.462 5.218 13.970 1.00 0.00 H new ATOM 1180 N PRO A 82 9.035 4.830 5.955 1.00 0.00 N ATOM 1181 CA PRO A 82 9.948 4.573 4.838 1.00 0.00 C ATOM 1182 C PRO A 82 11.412 4.393 5.244 1.00 0.00 C ATOM 1183 O PRO A 82 12.111 5.362 5.548 1.00 0.00 O ATOM 1184 CB PRO A 82 9.777 5.828 3.994 1.00 0.00 C ATOM 1185 CG PRO A 82 8.348 6.213 4.177 1.00 0.00 C ATOM 1186 CD PRO A 82 7.935 5.721 5.543 1.00 0.00 C ATOM 0 HA PRO A 82 9.712 3.635 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.447 6.622 4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.004 5.635 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.226 7.294 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.725 5.768 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.809 6.547 6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.985 5.189 5.504 1.00 0.00 H new ATOM 1194 N PRO A 83 11.899 3.141 5.237 1.00 0.00 N ATOM 1195 CA PRO A 83 13.276 2.828 5.579 1.00 0.00 C ATOM 1196 C PRO A 83 14.214 3.011 4.386 1.00 0.00 C ATOM 1197 O PRO A 83 15.194 3.754 4.459 1.00 0.00 O ATOM 1198 CB PRO A 83 13.221 1.356 6.009 1.00 0.00 C ATOM 1199 CG PRO A 83 11.899 0.818 5.548 1.00 0.00 C ATOM 1200 CD PRO A 83 11.141 1.935 4.878 1.00 0.00 C ATOM 0 HA PRO A 83 13.666 3.486 6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.043 0.793 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.319 1.266 7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.047 -0.010 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.332 0.428 6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.098 1.797 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.112 1.989 5.234 1.00 0.00 H new ATOM 1208 N SER A 84 13.865 2.390 3.270 1.00 0.00 N ATOM 1209 CA SER A 84 14.618 2.547 2.041 1.00 0.00 C ATOM 1210 C SER A 84 14.307 3.906 1.422 1.00 0.00 C ATOM 1211 O SER A 84 13.142 4.283 1.286 1.00 0.00 O ATOM 1212 CB SER A 84 14.262 1.420 1.074 1.00 0.00 C ATOM 1213 OG SER A 84 13.279 0.564 1.637 1.00 0.00 O ATOM 0 H SER A 84 13.059 1.769 3.193 1.00 0.00 H new ATOM 0 HA SER A 84 15.686 2.497 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.892 1.840 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.156 0.845 0.833 1.00 0.00 H new ATOM 0 HG SER A 84 13.064 -0.150 1.001 1.00 0.00 H new ATOM 1219 N GLN A 85 15.349 4.676 1.142 1.00 0.00 N ATOM 1220 CA GLN A 85 15.182 6.036 0.646 1.00 0.00 C ATOM 1221 C GLN A 85 14.556 6.042 -0.744 1.00 0.00 C ATOM 1222 O GLN A 85 13.776 6.933 -1.075 1.00 0.00 O ATOM 1223 CB GLN A 85 16.528 6.767 0.639 1.00 0.00 C ATOM 1224 CG GLN A 85 17.128 6.949 2.027 1.00 0.00 C ATOM 1225 CD GLN A 85 16.105 7.409 3.051 1.00 0.00 C ATOM 1226 OE1 GLN A 85 15.733 8.580 3.089 1.00 0.00 O ATOM 1227 NE2 GLN A 85 15.641 6.497 3.891 1.00 0.00 N ATOM 0 H GLN A 85 16.320 4.382 1.250 1.00 0.00 H new ATOM 0 HA GLN A 85 14.503 6.563 1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.231 6.212 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.399 7.746 0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.567 6.007 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.938 7.677 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.971 5.534 3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.953 6.758 4.598 1.00 0.00 H new ATOM 1236 N ALA A 86 14.816 4.991 -1.516 1.00 0.00 N ATOM 1237 CA ALA A 86 14.183 4.835 -2.819 1.00 0.00 C ATOM 1238 C ALA A 86 12.684 4.618 -2.644 1.00 0.00 C ATOM 1239 O ALA A 86 11.872 5.250 -3.313 1.00 0.00 O ATOM 1240 CB ALA A 86 14.806 3.678 -3.587 1.00 0.00 C ATOM 0 H ALA A 86 15.457 4.239 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 86 14.343 5.746 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.318 3.580 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.869 3.869 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.678 2.755 -3.022 1.00 0.00 H new ATOM 1246 N VAL A 87 12.331 3.781 -1.675 1.00 0.00 N ATOM 1247 CA VAL A 87 10.936 3.543 -1.334 1.00 0.00 C ATOM 1248 C VAL A 87 10.274 4.833 -0.841 1.00 0.00 C ATOM 1249 O VAL A 87 9.149 5.148 -1.227 1.00 0.00 O ATOM 1250 CB VAL A 87 10.813 2.424 -0.264 1.00 0.00 C ATOM 1251 CG1 VAL A 87 9.639 2.663 0.681 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.683 1.065 -0.934 1.00 0.00 C ATOM 0 H VAL A 87 12.997 3.254 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 87 10.418 3.212 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 87 11.724 2.443 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.591 1.856 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.775 3.613 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.711 2.690 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.598 0.290 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.794 1.054 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.564 0.876 -1.547 1.00 0.00 H new ATOM 1262 N TYR A 88 10.991 5.584 -0.008 1.00 0.00 N ATOM 1263 CA TYR A 88 10.487 6.848 0.523 1.00 0.00 C ATOM 1264 C TYR A 88 10.202 7.839 -0.602 1.00 0.00 C ATOM 1265 O TYR A 88 9.201 8.553 -0.575 1.00 0.00 O ATOM 1266 CB TYR A 88 11.494 7.436 1.532 1.00 0.00 C ATOM 1267 CG TYR A 88 11.777 8.918 1.378 1.00 0.00 C ATOM 1268 CD1 TYR A 88 10.885 9.874 1.852 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.939 9.358 0.757 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.145 11.223 1.711 1.00 0.00 C ATOM 1271 CE2 TYR A 88 13.206 10.705 0.613 1.00 0.00 C ATOM 1272 CZ TYR A 88 12.307 11.634 1.089 1.00 0.00 C ATOM 1273 OH TYR A 88 12.565 12.977 0.944 1.00 0.00 O ATOM 0 H TYR A 88 11.927 5.338 0.315 1.00 0.00 H new ATOM 0 HA TYR A 88 9.547 6.656 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.119 7.257 2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.434 6.892 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.974 9.556 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.646 8.634 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.443 11.953 2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.116 11.029 0.129 1.00 0.00 H new ATOM 0 HH TYR A 88 13.423 13.098 0.487 1.00 0.00 H new ATOM 1283 N GLU A 89 11.122 7.936 -1.550 1.00 0.00 N ATOM 1284 CA GLU A 89 11.001 8.910 -2.621 1.00 0.00 C ATOM 1285 C GLU A 89 9.882 8.539 -3.593 1.00 0.00 C ATOM 1286 O GLU A 89 9.360 9.400 -4.302 1.00 0.00 O ATOM 1287 CB GLU A 89 12.346 9.065 -3.342 1.00 0.00 C ATOM 1288 CG GLU A 89 12.426 8.394 -4.704 1.00 0.00 C ATOM 1289 CD GLU A 89 13.247 9.198 -5.686 1.00 0.00 C ATOM 1290 OE1 GLU A 89 14.335 9.678 -5.305 1.00 0.00 O ATOM 1291 OE2 GLU A 89 12.808 9.368 -6.840 1.00 0.00 O ATOM 0 H GLU A 89 11.958 7.353 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 89 10.731 9.872 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.555 10.128 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.131 8.657 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.863 7.402 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.420 8.257 -5.100 1.00 0.00 H new ATOM 1298 N VAL A 90 9.507 7.269 -3.608 1.00 0.00 N ATOM 1299 CA VAL A 90 8.442 6.800 -4.481 1.00 0.00 C ATOM 1300 C VAL A 90 7.089 6.833 -3.771 1.00 0.00 C ATOM 1301 O VAL A 90 6.111 7.352 -4.307 1.00 0.00 O ATOM 1302 CB VAL A 90 8.724 5.367 -4.996 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.539 4.824 -5.784 1.00 0.00 C ATOM 1304 CG2 VAL A 90 9.979 5.342 -5.853 1.00 0.00 C ATOM 0 H VAL A 90 9.925 6.544 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 90 8.408 7.478 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 90 8.880 4.726 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.765 3.817 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.658 4.797 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.345 5.470 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.159 4.326 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.849 6.004 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.831 5.677 -5.261 1.00 0.00 H new ATOM 1314 N PHE A 91 7.013 6.175 -2.618 1.00 0.00 N ATOM 1315 CA PHE A 91 5.747 6.006 -1.902 1.00 0.00 C ATOM 1316 C PHE A 91 5.199 7.319 -1.354 1.00 0.00 C ATOM 1317 O PHE A 91 4.014 7.408 -1.023 1.00 0.00 O ATOM 1318 CB PHE A 91 5.905 4.993 -0.768 1.00 0.00 C ATOM 1319 CG PHE A 91 5.656 3.576 -1.207 1.00 0.00 C ATOM 1320 CD1 PHE A 91 4.381 3.162 -1.555 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.696 2.663 -1.278 1.00 0.00 C ATOM 1322 CE1 PHE A 91 4.148 1.863 -1.968 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.469 1.363 -1.689 1.00 0.00 C ATOM 1324 CZ PHE A 91 5.192 0.963 -2.033 1.00 0.00 C ATOM 0 H PHE A 91 7.815 5.747 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 91 5.025 5.633 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.912 5.069 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.214 5.245 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.560 3.861 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.696 2.971 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.150 1.553 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.288 0.661 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.011 -0.053 -2.352 1.00 0.00 H new ATOM 1334 N LYS A 92 6.033 8.351 -1.310 1.00 0.00 N ATOM 1335 CA LYS A 92 5.586 9.663 -0.852 1.00 0.00 C ATOM 1336 C LYS A 92 4.640 10.299 -1.874 1.00 0.00 C ATOM 1337 O LYS A 92 3.982 11.302 -1.592 1.00 0.00 O ATOM 1338 CB LYS A 92 6.779 10.578 -0.566 1.00 0.00 C ATOM 1339 CG LYS A 92 7.419 11.168 -1.808 1.00 0.00 C ATOM 1340 CD LYS A 92 8.373 12.296 -1.456 1.00 0.00 C ATOM 1341 CE LYS A 92 9.692 12.160 -2.195 1.00 0.00 C ATOM 1342 NZ LYS A 92 9.525 12.373 -3.657 1.00 0.00 N ATOM 0 H LYS A 92 7.015 8.307 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 92 5.037 9.529 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.452 11.391 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.532 10.014 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.958 10.389 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.643 11.541 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.913 13.253 -1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.555 12.298 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.407 12.882 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.109 11.169 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.360 12.865 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.421 11.454 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.677 12.950 -3.829 1.00 0.00 H new ATOM 1356 N ASN A 93 4.496 9.633 -3.013 1.00 0.00 N ATOM 1357 CA ASN A 93 3.538 10.027 -4.037 1.00 0.00 C ATOM 1358 C ASN A 93 3.356 8.876 -5.019 1.00 0.00 C ATOM 1359 O ASN A 93 3.808 8.934 -6.165 1.00 0.00 O ATOM 1360 CB ASN A 93 3.998 11.285 -4.777 1.00 0.00 C ATOM 1361 CG ASN A 93 2.986 11.754 -5.809 1.00 0.00 C ATOM 1362 OD1 ASN A 93 1.845 12.091 -5.478 1.00 0.00 O ATOM 1363 ND2 ASN A 93 3.399 11.777 -7.063 1.00 0.00 N ATOM 0 H ASN A 93 5.040 8.804 -3.252 1.00 0.00 H new ATOM 0 HA ASN A 93 2.588 10.258 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.174 12.083 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.949 11.086 -5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.766 12.082 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.351 11.490 -7.292 1.00 0.00 H new ATOM 1370 N ALA A 94 2.761 7.798 -4.537 1.00 0.00 N ATOM 1371 CA ALA A 94 2.590 6.599 -5.341 1.00 0.00 C ATOM 1372 C ALA A 94 1.191 6.027 -5.170 1.00 0.00 C ATOM 1373 O ALA A 94 0.922 5.296 -4.217 1.00 0.00 O ATOM 1374 CB ALA A 94 3.633 5.554 -4.975 1.00 0.00 C ATOM 0 H ALA A 94 2.387 7.728 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 94 2.724 6.874 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.488 4.665 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.630 5.958 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.530 5.290 -3.922 1.00 0.00 H new ATOM 1380 N PRO A 95 0.285 6.334 -6.104 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.080 5.825 -6.067 1.00 0.00 C ATOM 1382 C PRO A 95 -1.099 4.341 -6.409 1.00 0.00 C ATOM 1383 O PRO A 95 -0.617 3.930 -7.468 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.805 6.656 -7.143 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.857 7.760 -7.486 1.00 0.00 C ATOM 1386 CD PRO A 95 0.508 7.182 -7.276 1.00 0.00 C ATOM 0 HA PRO A 95 -1.549 5.914 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.038 6.050 -8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.749 7.050 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.991 8.089 -8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.019 8.630 -6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.849 6.609 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.256 7.952 -7.089 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.441 3.539 -5.417 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.270 2.101 -5.512 1.00 0.00 C ATOM 1396 C LEU A 96 -2.482 1.424 -6.123 1.00 0.00 C ATOM 1397 O LEU A 96 -3.624 1.833 -5.899 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.004 1.512 -4.126 1.00 0.00 C ATOM 1399 CG LEU A 96 0.463 1.503 -3.687 1.00 0.00 C ATOM 1400 CD1 LEU A 96 0.619 0.752 -2.375 1.00 0.00 C ATOM 1401 CD2 LEU A 96 1.344 0.887 -4.765 1.00 0.00 C ATOM 0 H LEU A 96 -1.840 3.860 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.417 1.918 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.581 2.076 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.378 0.488 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 96 0.782 2.534 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.667 0.755 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.021 1.238 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.281 -0.276 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.382 0.891 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.026 -0.139 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.255 1.468 -5.683 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.222 0.324 -6.815 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.277 -0.498 -7.370 1.00 0.00 C ATOM 1415 C ASP A 97 -3.744 -1.504 -6.325 1.00 0.00 C ATOM 1416 O ASP A 97 -2.943 -2.224 -5.722 1.00 0.00 O ATOM 1417 CB ASP A 97 -2.794 -1.211 -8.648 1.00 0.00 C ATOM 1418 CG ASP A 97 -2.008 -2.488 -8.377 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -0.911 -2.406 -7.779 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -2.484 -3.577 -8.765 1.00 0.00 O ATOM 0 H ASP A 97 -1.280 -0.018 -7.004 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.119 0.137 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.658 -1.451 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.170 -0.526 -9.222 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.034 -1.524 -6.075 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.585 -2.414 -5.079 1.00 0.00 C ATOM 1427 C PHE A 98 -6.151 -3.651 -5.751 1.00 0.00 C ATOM 1428 O PHE A 98 -7.273 -3.642 -6.259 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.662 -1.711 -4.248 1.00 0.00 C ATOM 1430 CG PHE A 98 -7.159 -2.532 -3.087 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -6.267 -3.142 -2.218 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.517 -2.699 -2.871 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -6.721 -3.903 -1.157 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -8.977 -3.457 -1.811 1.00 0.00 C ATOM 1435 CZ PHE A 98 -8.078 -4.060 -0.954 1.00 0.00 C ATOM 0 H PHE A 98 -5.720 -0.935 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.786 -2.713 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.262 -0.770 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.504 -1.464 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -5.205 -3.021 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.225 -2.231 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.016 -4.374 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.039 -3.578 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.436 -4.654 -0.126 1.00 0.00 H new ATOM 1445 N LYS A 99 -5.402 -4.732 -5.665 1.00 0.00 N ATOM 1446 CA LYS A 99 -5.854 -6.013 -6.159 1.00 0.00 C ATOM 1447 C LYS A 99 -6.120 -6.916 -4.970 1.00 0.00 C ATOM 1448 O LYS A 99 -5.189 -7.340 -4.286 1.00 0.00 O ATOM 1449 CB LYS A 99 -4.821 -6.634 -7.096 1.00 0.00 C ATOM 1450 CG LYS A 99 -5.169 -6.476 -8.569 1.00 0.00 C ATOM 1451 CD LYS A 99 -6.052 -7.613 -9.060 1.00 0.00 C ATOM 1452 CE LYS A 99 -7.395 -7.103 -9.565 1.00 0.00 C ATOM 1453 NZ LYS A 99 -7.345 -6.716 -11.000 1.00 0.00 N ATOM 0 H LYS A 99 -4.469 -4.746 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.770 -5.882 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.850 -6.176 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.723 -7.695 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.680 -5.525 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.253 -6.445 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.542 -8.151 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.214 -8.324 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.151 -7.875 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.703 -6.244 -8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.925 -5.866 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.361 -6.516 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.714 -7.495 -11.583 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.398 -7.042 -4.600 1.00 0.00 N ATOM 1468 CA PRO A 100 -7.815 -7.701 -3.364 1.00 0.00 C ATOM 1469 C PRO A 100 -7.255 -9.110 -3.217 1.00 0.00 C ATOM 1470 O PRO A 100 -7.169 -9.867 -4.188 1.00 0.00 O ATOM 1471 CB PRO A 100 -9.347 -7.734 -3.461 1.00 0.00 C ATOM 1472 CG PRO A 100 -9.689 -7.215 -4.820 1.00 0.00 C ATOM 1473 CD PRO A 100 -8.527 -6.387 -5.260 1.00 0.00 C ATOM 0 HA PRO A 100 -7.444 -7.167 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.724 -8.748 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.800 -7.118 -2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.867 -8.035 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.601 -6.619 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.417 -6.387 -6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.630 -5.347 -4.950 1.00 0.00 H new ATOM 1481 N HIS A 101 -6.842 -9.430 -1.995 1.00 0.00 N ATOM 1482 CA HIS A 101 -6.244 -10.720 -1.678 1.00 0.00 C ATOM 1483 C HIS A 101 -7.187 -11.879 -1.989 1.00 0.00 C ATOM 1484 O HIS A 101 -8.407 -11.713 -2.010 1.00 0.00 O ATOM 1485 CB HIS A 101 -5.879 -10.755 -0.196 1.00 0.00 C ATOM 1486 CG HIS A 101 -4.436 -10.485 0.083 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -3.931 -10.423 1.360 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -3.393 -10.238 -0.747 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -2.646 -10.145 1.308 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -2.291 -10.031 0.043 1.00 0.00 N ATOM 0 H HIS A 101 -6.913 -8.800 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 101 -5.354 -10.836 -2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -6.484 -10.019 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -6.139 -11.733 0.208 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -4.468 -10.570 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.424 -10.210 -1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.991 -10.029 2.159 1.00 0.00 H new ATOM 1499 N HIS A 102 -6.615 -13.069 -2.114 1.00 0.00 N ATOM 1500 CA HIS A 102 -7.393 -14.286 -2.292 1.00 0.00 C ATOM 1501 C HIS A 102 -6.622 -15.472 -1.711 1.00 0.00 C ATOM 1502 O HIS A 102 -6.985 -16.631 -1.991 1.00 0.00 O ATOM 1503 CB HIS A 102 -7.742 -14.507 -3.778 1.00 0.00 C ATOM 1504 CG HIS A 102 -6.678 -15.187 -4.597 1.00 0.00 C ATOM 1505 ND1 HIS A 102 -6.662 -16.545 -4.829 1.00 0.00 N ATOM 1506 CD2 HIS A 102 -5.596 -14.690 -5.242 1.00 0.00 C ATOM 1507 CE1 HIS A 102 -5.623 -16.853 -5.575 1.00 0.00 C ATOM 1508 NE2 HIS A 102 -4.957 -15.747 -5.844 1.00 0.00 N ATOM 0 H HIS A 102 -5.606 -13.217 -2.095 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.337 -14.190 -1.756 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -8.655 -15.100 -3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -7.962 -13.540 -4.230 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.292 -13.654 -5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.360 -17.845 -5.911 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.108 -15.686 -6.406 1.00 0.00 H new TER 1517 HIS A 102