USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 953 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 86 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.16) USER MOD Set 1.2: A 89 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot -170:sc= 0.785 USER MOD Set 2.2: A 92 TYR OH : rot -149:sc= 0.887 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.23 (180deg=0.707) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.38) USER MOD Single : A 8 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= 0.231 (180deg=-0.0138) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0105 F(o=-0.72,f=-0.01) USER MOD Single : A 29 ASN : amide:sc= 0.345 K(o=0.34,f=-5.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -146:sc= -0.0563 (180deg=-0.258) USER MOD Single : A 37 THR OG1 : rot 70:sc= 0.282 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc=-0.00739 K(o=-0.0074,f=-0.97) USER MOD Single : A 52 ASN : amide:sc= -0.0182 K(o=-0.018,f=-0.67) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= -0.019 (180deg=-0.152) USER MOD Single : A 60 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.6!) USER MOD Single : A 61 SER OG : rot -4:sc= 0.0617 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0.045 (180deg=-0.0458) USER MOD Single : A 81 ASN : amide:sc= 0.839 K(o=0.84,f=-4.1!) USER MOD Single : A 83 THR OG1 : rot -40:sc= 0.365 USER MOD Single : A 85 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.39) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 12:sc= 0.718 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00564) USER MOD Single : A 101 SER OG : rot -46:sc= 0.257 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 111 MET CE :methyl -169:sc= -0.025 (180deg=-0.185) USER MOD Single : A 112 SER OG : rot 68:sc= 0.0933 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.948 12.770 -11.272 1.00 54.31 N ATOM 2 CA MET A 1 16.930 13.875 -11.160 1.00 13.03 C ATOM 3 C MET A 1 16.919 14.443 -9.727 1.00 73.23 C ATOM 4 O MET A 1 15.885 14.410 -9.047 1.00 34.30 O ATOM 5 CB MET A 1 16.627 14.987 -12.206 1.00 41.03 C ATOM 6 CG MET A 1 16.824 14.570 -13.677 1.00 4.31 C ATOM 7 SD MET A 1 15.739 13.213 -14.182 1.00 33.24 S ATOM 8 CE MET A 1 16.167 13.010 -15.915 1.00 33.22 C ATOM 0 H1 MET A 1 15.683 12.641 -12.269 1.00 54.31 H new ATOM 0 H2 MET A 1 16.371 11.892 -10.910 1.00 54.31 H new ATOM 0 H3 MET A 1 15.100 13.001 -10.716 1.00 54.31 H new ATOM 0 HA MET A 1 17.926 13.486 -11.370 1.00 13.03 H new ATOM 0 HB2 MET A 1 15.597 15.319 -12.073 1.00 41.03 H new ATOM 0 HB3 MET A 1 17.267 15.844 -11.998 1.00 41.03 H new ATOM 0 HG2 MET A 1 16.642 15.431 -14.320 1.00 4.31 H new ATOM 0 HG3 MET A 1 17.862 14.273 -13.828 1.00 4.31 H new ATOM 0 HE1 MET A 1 15.570 12.206 -16.345 1.00 33.22 H new ATOM 0 HE2 MET A 1 15.965 13.938 -16.451 1.00 33.22 H new ATOM 0 HE3 MET A 1 17.225 12.763 -16.002 1.00 33.22 H new ATOM 20 N SER A 2 18.077 14.964 -9.275 1.00 4.11 N ATOM 21 CA SER A 2 18.264 15.481 -7.905 1.00 21.43 C ATOM 22 C SER A 2 17.470 16.793 -7.693 1.00 74.22 C ATOM 23 O SER A 2 17.893 17.860 -8.150 1.00 1.30 O ATOM 24 CB SER A 2 19.774 15.701 -7.642 1.00 22.14 C ATOM 25 OG SER A 2 20.512 14.527 -7.925 1.00 11.24 O ATOM 0 H SER A 2 18.914 15.038 -9.854 1.00 4.11 H new ATOM 0 HA SER A 2 17.880 14.749 -7.194 1.00 21.43 H new ATOM 0 HB2 SER A 2 20.139 16.522 -8.259 1.00 22.14 H new ATOM 0 HB3 SER A 2 19.928 15.990 -6.602 1.00 22.14 H new ATOM 0 HG SER A 2 21.463 14.689 -7.754 1.00 11.24 H new ATOM 31 N GLY A 3 16.309 16.692 -7.022 1.00 42.11 N ATOM 32 CA GLY A 3 15.427 17.844 -6.767 1.00 13.00 C ATOM 33 C GLY A 3 15.290 18.148 -5.286 1.00 34.12 C ATOM 34 O GLY A 3 14.180 18.336 -4.780 1.00 22.32 O ATOM 0 H GLY A 3 15.957 15.813 -6.643 1.00 42.11 H new ATOM 0 HA2 GLY A 3 15.821 18.721 -7.281 1.00 13.00 H new ATOM 0 HA3 GLY A 3 14.441 17.644 -7.187 1.00 13.00 H new ATOM 38 N SER A 4 16.438 18.211 -4.591 1.00 1.34 N ATOM 39 CA SER A 4 16.497 18.414 -3.131 1.00 12.52 C ATOM 40 C SER A 4 16.266 19.895 -2.746 1.00 60.20 C ATOM 41 O SER A 4 15.626 20.184 -1.732 1.00 30.15 O ATOM 42 CB SER A 4 17.858 17.919 -2.589 1.00 60.45 C ATOM 43 OG SER A 4 18.093 16.560 -2.949 1.00 45.00 O ATOM 0 H SER A 4 17.356 18.122 -5.027 1.00 1.34 H new ATOM 0 HA SER A 4 15.694 17.834 -2.677 1.00 12.52 H new ATOM 0 HB2 SER A 4 18.659 18.546 -2.982 1.00 60.45 H new ATOM 0 HB3 SER A 4 17.878 18.019 -1.504 1.00 60.45 H new ATOM 0 HG SER A 4 18.961 16.273 -2.595 1.00 45.00 H new ATOM 49 N HIS A 5 16.808 20.826 -3.556 1.00 44.11 N ATOM 50 CA HIS A 5 16.636 22.285 -3.335 1.00 43.51 C ATOM 51 C HIS A 5 15.200 22.707 -3.697 1.00 73.21 C ATOM 52 O HIS A 5 14.638 23.618 -3.092 1.00 4.13 O ATOM 53 CB HIS A 5 17.680 23.093 -4.153 1.00 1.12 C ATOM 54 CG HIS A 5 17.672 24.578 -3.902 1.00 3.43 C ATOM 55 ND1 HIS A 5 17.857 25.519 -4.897 1.00 4.32 N ATOM 56 CD2 HIS A 5 17.570 25.284 -2.747 1.00 33.42 C ATOM 57 CE1 HIS A 5 17.859 26.727 -4.367 1.00 42.21 C ATOM 58 NE2 HIS A 5 17.688 26.608 -3.066 1.00 55.23 N ATOM 0 H HIS A 5 17.372 20.597 -4.374 1.00 44.11 H new ATOM 0 HA HIS A 5 16.803 22.503 -2.280 1.00 43.51 H new ATOM 0 HB2 HIS A 5 18.674 22.707 -3.928 1.00 1.12 H new ATOM 0 HB3 HIS A 5 17.503 22.918 -5.214 1.00 1.12 H new ATOM 0 HD2 HIS A 5 17.423 24.875 -1.758 1.00 33.42 H new ATOM 0 HE1 HIS A 5 17.980 27.654 -4.907 1.00 42.21 H new ATOM 0 HE2 HIS A 5 17.650 27.381 -2.402 1.00 55.23 H new ATOM 67 N HIS A 6 14.628 22.026 -4.697 1.00 64.00 N ATOM 68 CA HIS A 6 13.209 22.167 -5.065 1.00 73.33 C ATOM 69 C HIS A 6 12.426 20.952 -4.543 1.00 61.13 C ATOM 70 O HIS A 6 11.601 20.376 -5.254 1.00 22.04 O ATOM 71 CB HIS A 6 13.057 22.324 -6.604 1.00 11.51 C ATOM 72 CG HIS A 6 13.601 23.619 -7.175 1.00 2.44 C ATOM 73 ND1 HIS A 6 13.896 23.797 -8.515 1.00 13.32 N ATOM 74 CD2 HIS A 6 13.876 24.814 -6.586 1.00 14.33 C ATOM 75 CE1 HIS A 6 14.323 25.033 -8.712 1.00 75.14 C ATOM 76 NE2 HIS A 6 14.319 25.668 -7.561 1.00 72.01 N ATOM 0 H HIS A 6 15.136 21.359 -5.278 1.00 64.00 H new ATOM 0 HA HIS A 6 12.801 23.067 -4.606 1.00 73.33 H new ATOM 0 HB2 HIS A 6 13.563 21.490 -7.090 1.00 11.51 H new ATOM 0 HB3 HIS A 6 12.000 22.248 -6.859 1.00 11.51 H new ATOM 0 HD2 HIS A 6 13.765 25.048 -5.537 1.00 14.33 H new ATOM 0 HE1 HIS A 6 14.625 25.451 -9.661 1.00 75.14 H new ATOM 0 HE2 HIS A 6 14.600 26.638 -7.417 1.00 72.01 H new ATOM 85 N HIS A 7 12.709 20.572 -3.284 1.00 24.00 N ATOM 86 CA HIS A 7 12.001 19.485 -2.583 1.00 2.24 C ATOM 87 C HIS A 7 10.479 19.720 -2.604 1.00 1.02 C ATOM 88 O HIS A 7 10.007 20.783 -2.188 1.00 71.13 O ATOM 89 CB HIS A 7 12.531 19.359 -1.134 1.00 32.30 C ATOM 90 CG HIS A 7 12.413 20.624 -0.307 1.00 65.15 C ATOM 91 ND1 HIS A 7 11.305 20.914 0.461 1.00 51.22 N ATOM 92 CD2 HIS A 7 13.255 21.679 -0.150 1.00 4.51 C ATOM 93 CE1 HIS A 7 11.467 22.087 1.043 1.00 11.13 C ATOM 94 NE2 HIS A 7 12.641 22.570 0.691 1.00 73.24 N ATOM 0 H HIS A 7 13.438 21.012 -2.722 1.00 24.00 H new ATOM 0 HA HIS A 7 12.193 18.546 -3.102 1.00 2.24 H new ATOM 0 HB2 HIS A 7 11.988 18.559 -0.631 1.00 32.30 H new ATOM 0 HB3 HIS A 7 13.579 19.060 -1.169 1.00 32.30 H new ATOM 0 HD2 HIS A 7 14.228 21.794 -0.604 1.00 4.51 H new ATOM 0 HE1 HIS A 7 10.757 22.570 1.698 1.00 11.13 H new ATOM 0 HE2 HIS A 7 13.030 23.463 0.995 1.00 73.24 H new ATOM 103 N HIS A 8 9.732 18.745 -3.147 1.00 74.02 N ATOM 104 CA HIS A 8 8.284 18.877 -3.356 1.00 1.12 C ATOM 105 C HIS A 8 7.521 18.764 -2.024 1.00 60.34 C ATOM 106 O HIS A 8 7.059 17.691 -1.628 1.00 3.31 O ATOM 107 CB HIS A 8 7.778 17.857 -4.413 1.00 14.42 C ATOM 108 CG HIS A 8 8.278 18.128 -5.807 1.00 23.14 C ATOM 109 ND1 HIS A 8 8.519 17.138 -6.732 1.00 53.45 N ATOM 110 CD2 HIS A 8 8.562 19.291 -6.434 1.00 54.35 C ATOM 111 CE1 HIS A 8 8.928 17.675 -7.856 1.00 21.52 C ATOM 112 NE2 HIS A 8 8.964 18.982 -7.703 1.00 4.42 N ATOM 0 H HIS A 8 10.113 17.849 -3.451 1.00 74.02 H new ATOM 0 HA HIS A 8 8.085 19.872 -3.753 1.00 1.12 H new ATOM 0 HB2 HIS A 8 8.087 16.855 -4.115 1.00 14.42 H new ATOM 0 HB3 HIS A 8 6.688 17.866 -4.420 1.00 14.42 H new ATOM 0 HD2 HIS A 8 8.485 20.282 -6.010 1.00 54.35 H new ATOM 0 HE1 HIS A 8 9.191 17.137 -8.755 1.00 21.52 H new ATOM 0 HE2 HIS A 8 9.246 19.655 -8.416 1.00 4.42 H new ATOM 121 N HIS A 9 7.450 19.907 -1.323 1.00 72.21 N ATOM 122 CA HIS A 9 6.714 20.064 -0.067 1.00 13.01 C ATOM 123 C HIS A 9 5.458 20.912 -0.322 1.00 12.04 C ATOM 124 O HIS A 9 5.568 22.078 -0.708 1.00 2.23 O ATOM 125 CB HIS A 9 7.608 20.745 1.010 1.00 2.20 C ATOM 126 CG HIS A 9 6.909 20.975 2.324 1.00 10.00 C ATOM 127 ND1 HIS A 9 6.558 22.230 2.785 1.00 72.54 N ATOM 128 CD2 HIS A 9 6.480 20.106 3.271 1.00 70.44 C ATOM 129 CE1 HIS A 9 5.944 22.118 3.944 1.00 42.30 C ATOM 130 NE2 HIS A 9 5.885 20.842 4.261 1.00 50.34 N ATOM 0 H HIS A 9 7.914 20.764 -1.624 1.00 72.21 H new ATOM 0 HA HIS A 9 6.424 19.080 0.303 1.00 13.01 H new ATOM 0 HB2 HIS A 9 8.489 20.126 1.181 1.00 2.20 H new ATOM 0 HB3 HIS A 9 7.960 21.702 0.624 1.00 2.20 H new ATOM 0 HD2 HIS A 9 6.587 19.032 3.249 1.00 70.44 H new ATOM 0 HE1 HIS A 9 5.555 22.934 4.534 1.00 42.30 H new ATOM 0 HE2 HIS A 9 5.464 20.462 5.109 1.00 50.34 H new ATOM 139 N HIS A 10 4.280 20.309 -0.126 1.00 71.34 N ATOM 140 CA HIS A 10 2.991 21.019 -0.137 1.00 13.53 C ATOM 141 C HIS A 10 2.825 21.777 1.204 1.00 20.24 C ATOM 142 O HIS A 10 3.412 21.367 2.210 1.00 43.34 O ATOM 143 CB HIS A 10 1.841 19.993 -0.350 1.00 24.34 C ATOM 144 CG HIS A 10 0.486 20.609 -0.574 1.00 4.33 C ATOM 145 ND1 HIS A 10 -0.026 20.818 -1.831 1.00 63.05 N ATOM 146 CD2 HIS A 10 -0.459 21.058 0.290 1.00 44.35 C ATOM 147 CE1 HIS A 10 -1.212 21.366 -1.733 1.00 0.12 C ATOM 148 NE2 HIS A 10 -1.499 21.525 -0.458 1.00 3.32 N ATOM 0 H HIS A 10 4.191 19.308 0.046 1.00 71.34 H new ATOM 0 HA HIS A 10 2.958 21.742 -0.952 1.00 13.53 H new ATOM 0 HB2 HIS A 10 2.086 19.365 -1.206 1.00 24.34 H new ATOM 0 HB3 HIS A 10 1.789 19.339 0.521 1.00 24.34 H new ATOM 0 HD2 HIS A 10 -0.399 21.047 1.368 1.00 44.35 H new ATOM 0 HE1 HIS A 10 -1.849 21.642 -2.561 1.00 0.12 H new ATOM 0 HE2 HIS A 10 -2.359 21.931 -0.090 1.00 3.32 H new ATOM 157 N SER A 11 2.020 22.862 1.200 1.00 74.11 N ATOM 158 CA SER A 11 1.740 23.697 2.391 1.00 33.13 C ATOM 159 C SER A 11 1.210 22.873 3.579 1.00 42.54 C ATOM 160 O SER A 11 0.469 21.904 3.384 1.00 72.04 O ATOM 161 CB SER A 11 0.705 24.787 2.026 1.00 34.05 C ATOM 162 OG SER A 11 1.137 25.592 0.940 1.00 61.40 O ATOM 0 H SER A 11 1.540 23.187 0.361 1.00 74.11 H new ATOM 0 HA SER A 11 2.683 24.148 2.698 1.00 33.13 H new ATOM 0 HB2 SER A 11 -0.244 24.315 1.771 1.00 34.05 H new ATOM 0 HB3 SER A 11 0.523 25.419 2.895 1.00 34.05 H new ATOM 0 HG SER A 11 0.454 26.266 0.741 1.00 61.40 H new ATOM 168 N SER A 12 1.590 23.305 4.796 1.00 21.10 N ATOM 169 CA SER A 12 1.210 22.657 6.065 1.00 64.40 C ATOM 170 C SER A 12 -0.322 22.480 6.193 1.00 64.35 C ATOM 171 O SER A 12 -0.803 21.442 6.657 1.00 53.45 O ATOM 172 CB SER A 12 1.767 23.487 7.242 1.00 24.51 C ATOM 173 OG SER A 12 3.179 23.638 7.137 1.00 33.52 O ATOM 0 H SER A 12 2.179 24.127 4.927 1.00 21.10 H new ATOM 0 HA SER A 12 1.641 21.656 6.083 1.00 64.40 H new ATOM 0 HB2 SER A 12 1.293 24.468 7.256 1.00 24.51 H new ATOM 0 HB3 SER A 12 1.519 23.000 8.185 1.00 24.51 H new ATOM 0 HG SER A 12 3.508 24.168 7.892 1.00 33.52 H new ATOM 179 N GLY A 13 -1.064 23.506 5.744 1.00 42.52 N ATOM 180 CA GLY A 13 -2.521 23.475 5.715 1.00 13.42 C ATOM 181 C GLY A 13 -3.050 22.743 4.490 1.00 73.44 C ATOM 182 O GLY A 13 -3.634 23.356 3.586 1.00 11.52 O ATOM 0 H GLY A 13 -0.663 24.376 5.393 1.00 42.52 H new ATOM 0 HA2 GLY A 13 -2.892 22.988 6.617 1.00 13.42 H new ATOM 0 HA3 GLY A 13 -2.906 24.495 5.723 1.00 13.42 H new ATOM 186 N ILE A 14 -2.814 21.421 4.457 1.00 24.24 N ATOM 187 CA ILE A 14 -3.267 20.538 3.365 1.00 31.05 C ATOM 188 C ILE A 14 -4.739 20.111 3.585 1.00 31.05 C ATOM 189 O ILE A 14 -5.128 19.770 4.713 1.00 30.44 O ATOM 190 CB ILE A 14 -2.327 19.274 3.219 1.00 1.15 C ATOM 191 CG1 ILE A 14 -2.819 18.335 2.063 1.00 22.01 C ATOM 192 CG2 ILE A 14 -2.155 18.517 4.565 1.00 32.13 C ATOM 193 CD1 ILE A 14 -2.028 17.052 1.890 1.00 60.22 C ATOM 0 H ILE A 14 -2.301 20.931 5.190 1.00 24.24 H new ATOM 0 HA ILE A 14 -3.209 21.100 2.433 1.00 31.05 H new ATOM 0 HB ILE A 14 -1.335 19.631 2.943 1.00 1.15 H new ATOM 0 HG12 ILE A 14 -3.862 18.078 2.245 1.00 22.01 H new ATOM 0 HG13 ILE A 14 -2.787 18.892 1.126 1.00 22.01 H new ATOM 0 HG21 ILE A 14 -1.502 17.657 4.418 1.00 32.13 H new ATOM 0 HG22 ILE A 14 -1.714 19.185 5.304 1.00 32.13 H new ATOM 0 HG23 ILE A 14 -3.129 18.177 4.918 1.00 32.13 H new ATOM 0 HD11 ILE A 14 -2.448 16.474 1.066 1.00 60.22 H new ATOM 0 HD12 ILE A 14 -0.988 17.293 1.671 1.00 60.22 H new ATOM 0 HD13 ILE A 14 -2.080 16.466 2.808 1.00 60.22 H new ATOM 205 N GLU A 15 -5.541 20.158 2.493 1.00 51.22 N ATOM 206 CA GLU A 15 -6.993 19.837 2.499 1.00 70.14 C ATOM 207 C GLU A 15 -7.596 20.027 1.090 1.00 44.12 C ATOM 208 O GLU A 15 -6.937 20.549 0.191 1.00 12.12 O ATOM 209 CB GLU A 15 -7.786 20.686 3.539 1.00 13.43 C ATOM 210 CG GLU A 15 -7.778 22.211 3.314 1.00 14.51 C ATOM 211 CD GLU A 15 -8.695 22.945 4.294 1.00 12.43 C ATOM 212 OE1 GLU A 15 -9.859 23.232 3.939 1.00 21.12 O ATOM 213 OE2 GLU A 15 -8.261 23.221 5.428 1.00 22.52 O ATOM 0 H GLU A 15 -5.195 20.423 1.571 1.00 51.22 H new ATOM 0 HA GLU A 15 -7.085 18.792 2.794 1.00 70.14 H new ATOM 0 HB2 GLU A 15 -8.821 20.345 3.543 1.00 13.43 H new ATOM 0 HB3 GLU A 15 -7.380 20.483 4.530 1.00 13.43 H new ATOM 0 HG2 GLU A 15 -6.760 22.587 3.420 1.00 14.51 H new ATOM 0 HG3 GLU A 15 -8.093 22.427 2.293 1.00 14.51 H new ATOM 220 N GLY A 16 -8.853 19.601 0.911 1.00 22.42 N ATOM 221 CA GLY A 16 -9.541 19.696 -0.382 1.00 74.51 C ATOM 222 C GLY A 16 -10.867 18.961 -0.367 1.00 74.24 C ATOM 223 O GLY A 16 -11.861 19.435 -0.934 1.00 14.02 O ATOM 0 H GLY A 16 -9.417 19.184 1.652 1.00 22.42 H new ATOM 0 HA2 GLY A 16 -9.709 20.744 -0.629 1.00 74.51 H new ATOM 0 HA3 GLY A 16 -8.904 19.282 -1.164 1.00 74.51 H new ATOM 227 N ARG A 17 -10.886 17.797 0.294 1.00 34.33 N ATOM 228 CA ARG A 17 -12.102 16.983 0.484 1.00 71.34 C ATOM 229 C ARG A 17 -12.908 17.545 1.670 1.00 73.51 C ATOM 230 O ARG A 17 -12.316 18.104 2.602 1.00 73.41 O ATOM 231 CB ARG A 17 -11.696 15.508 0.750 1.00 71.12 C ATOM 232 CG ARG A 17 -10.787 14.914 -0.345 1.00 41.13 C ATOM 233 CD ARG A 17 -10.282 13.500 -0.038 1.00 63.34 C ATOM 234 NE ARG A 17 -9.391 13.036 -1.104 1.00 3.32 N ATOM 235 CZ ARG A 17 -9.027 11.766 -1.318 1.00 12.21 C ATOM 236 NH1 ARG A 17 -9.460 10.774 -0.548 1.00 65.11 N ATOM 237 NH2 ARG A 17 -8.204 11.484 -2.311 1.00 42.55 N ATOM 0 H ARG A 17 -10.053 17.387 0.717 1.00 34.33 H new ATOM 0 HA ARG A 17 -12.722 17.020 -0.412 1.00 71.34 H new ATOM 0 HB2 ARG A 17 -11.182 15.448 1.710 1.00 71.12 H new ATOM 0 HB3 ARG A 17 -12.597 14.900 0.832 1.00 71.12 H new ATOM 0 HG2 ARG A 17 -11.335 14.896 -1.287 1.00 41.13 H new ATOM 0 HG3 ARG A 17 -9.930 15.572 -0.487 1.00 41.13 H new ATOM 0 HD2 ARG A 17 -9.754 13.494 0.915 1.00 63.34 H new ATOM 0 HD3 ARG A 17 -11.127 12.818 0.062 1.00 63.34 H new ATOM 0 HE ARG A 17 -9.016 13.742 -1.738 1.00 3.32 H new ATOM 0 HH11 ARG A 17 -10.088 10.970 0.232 1.00 65.11 H new ATOM 0 HH12 ARG A 17 -9.165 9.816 -0.736 1.00 65.11 H new ATOM 0 HH21 ARG A 17 -7.850 12.231 -2.908 1.00 42.55 H new ATOM 0 HH22 ARG A 17 -7.922 10.519 -2.481 1.00 42.55 H new ATOM 251 N GLY A 18 -14.241 17.388 1.625 1.00 63.13 N ATOM 252 CA GLY A 18 -15.133 17.887 2.671 1.00 51.53 C ATOM 253 C GLY A 18 -14.871 17.250 4.036 1.00 51.32 C ATOM 254 O GLY A 18 -15.497 16.251 4.383 1.00 15.02 O ATOM 0 H GLY A 18 -14.724 16.912 0.863 1.00 63.13 H new ATOM 0 HA2 GLY A 18 -15.018 18.968 2.753 1.00 51.53 H new ATOM 0 HA3 GLY A 18 -16.166 17.697 2.380 1.00 51.53 H new ATOM 258 N ARG A 19 -13.949 17.870 4.801 1.00 53.45 N ATOM 259 CA ARG A 19 -13.403 17.348 6.076 1.00 73.13 C ATOM 260 C ARG A 19 -14.499 17.039 7.114 1.00 52.14 C ATOM 261 O ARG A 19 -14.366 16.104 7.909 1.00 52.44 O ATOM 262 CB ARG A 19 -12.393 18.372 6.667 1.00 24.34 C ATOM 263 CG ARG A 19 -11.184 18.676 5.757 1.00 22.14 C ATOM 264 CD ARG A 19 -10.333 19.847 6.282 1.00 53.22 C ATOM 265 NE ARG A 19 -9.776 19.591 7.624 1.00 3.44 N ATOM 266 CZ ARG A 19 -8.720 20.230 8.164 1.00 12.42 C ATOM 267 NH1 ARG A 19 -8.066 21.191 7.491 1.00 2.13 N ATOM 268 NH2 ARG A 19 -8.330 19.905 9.394 1.00 62.31 N ATOM 0 H ARG A 19 -13.551 18.773 4.544 1.00 53.45 H new ATOM 0 HA ARG A 19 -12.903 16.406 5.851 1.00 73.13 H new ATOM 0 HB2 ARG A 19 -12.919 19.304 6.874 1.00 24.34 H new ATOM 0 HB3 ARG A 19 -12.027 17.993 7.621 1.00 24.34 H new ATOM 0 HG2 ARG A 19 -10.561 17.785 5.676 1.00 22.14 H new ATOM 0 HG3 ARG A 19 -11.538 18.910 4.753 1.00 22.14 H new ATOM 0 HD2 ARG A 19 -9.517 20.038 5.585 1.00 53.22 H new ATOM 0 HD3 ARG A 19 -10.944 20.749 6.313 1.00 53.22 H new ATOM 0 HE ARG A 19 -10.227 18.872 8.189 1.00 3.44 H new ATOM 0 HH11 ARG A 19 -8.366 21.450 6.551 1.00 2.13 H new ATOM 0 HH12 ARG A 19 -7.269 21.662 7.920 1.00 2.13 H new ATOM 0 HH21 ARG A 19 -8.829 19.182 9.913 1.00 62.31 H new ATOM 0 HH22 ARG A 19 -7.532 20.379 9.818 1.00 62.31 H new ATOM 282 N MET A 20 -15.589 17.821 7.080 1.00 73.00 N ATOM 283 CA MET A 20 -16.711 17.671 8.024 1.00 61.32 C ATOM 284 C MET A 20 -17.557 16.432 7.661 1.00 1.21 C ATOM 285 O MET A 20 -18.207 15.847 8.525 1.00 73.53 O ATOM 286 CB MET A 20 -17.602 18.945 8.043 1.00 2.43 C ATOM 287 CG MET A 20 -16.843 20.269 8.235 1.00 44.30 C ATOM 288 SD MET A 20 -15.847 20.725 6.791 1.00 22.54 S ATOM 289 CE MET A 20 -15.275 22.363 7.225 1.00 34.33 C ATOM 0 H MET A 20 -15.719 18.572 6.402 1.00 73.00 H new ATOM 0 HA MET A 20 -16.295 17.534 9.022 1.00 61.32 H new ATOM 0 HB2 MET A 20 -18.157 18.995 7.106 1.00 2.43 H new ATOM 0 HB3 MET A 20 -18.335 18.845 8.843 1.00 2.43 H new ATOM 0 HG2 MET A 20 -17.558 21.065 8.443 1.00 44.30 H new ATOM 0 HG3 MET A 20 -16.194 20.187 9.107 1.00 44.30 H new ATOM 0 HE1 MET A 20 -14.652 22.756 6.421 1.00 34.33 H new ATOM 0 HE2 MET A 20 -16.132 23.020 7.374 1.00 34.33 H new ATOM 0 HE3 MET A 20 -14.692 22.313 8.144 1.00 34.33 H new ATOM 299 N LYS A 21 -17.542 16.063 6.362 1.00 12.13 N ATOM 300 CA LYS A 21 -18.200 14.835 5.845 1.00 45.23 C ATOM 301 C LYS A 21 -17.309 13.596 6.076 1.00 11.14 C ATOM 302 O LYS A 21 -17.808 12.466 6.156 1.00 1.14 O ATOM 303 CB LYS A 21 -18.503 14.974 4.318 1.00 3.43 C ATOM 304 CG LYS A 21 -19.323 16.217 3.919 1.00 24.35 C ATOM 305 CD LYS A 21 -20.684 16.316 4.638 1.00 64.42 C ATOM 306 CE LYS A 21 -21.488 17.547 4.193 1.00 71.21 C ATOM 307 NZ LYS A 21 -22.783 17.662 4.932 1.00 72.42 N ATOM 0 H LYS A 21 -17.073 16.607 5.638 1.00 12.13 H new ATOM 0 HA LYS A 21 -19.136 14.707 6.388 1.00 45.23 H new ATOM 0 HB2 LYS A 21 -17.557 14.994 3.777 1.00 3.43 H new ATOM 0 HB3 LYS A 21 -19.039 14.084 3.988 1.00 3.43 H new ATOM 0 HG2 LYS A 21 -18.740 17.112 4.137 1.00 24.35 H new ATOM 0 HG3 LYS A 21 -19.491 16.201 2.842 1.00 24.35 H new ATOM 0 HD2 LYS A 21 -21.264 15.415 4.440 1.00 64.42 H new ATOM 0 HD3 LYS A 21 -20.522 16.360 5.715 1.00 64.42 H new ATOM 0 HE2 LYS A 21 -20.895 18.447 4.357 1.00 71.21 H new ATOM 0 HE3 LYS A 21 -21.685 17.485 3.123 1.00 71.21 H new ATOM 0 HZ1 LYS A 21 -23.296 18.505 4.604 1.00 72.42 H new ATOM 0 HZ2 LYS A 21 -23.360 16.815 4.756 1.00 72.42 H new ATOM 0 HZ3 LYS A 21 -22.595 17.747 5.951 1.00 72.42 H new ATOM 321 N LYS A 22 -15.989 13.827 6.160 1.00 13.43 N ATOM 322 CA LYS A 22 -14.977 12.763 6.250 1.00 64.03 C ATOM 323 C LYS A 22 -14.843 12.246 7.700 1.00 33.13 C ATOM 324 O LYS A 22 -14.706 13.032 8.644 1.00 64.33 O ATOM 325 CB LYS A 22 -13.612 13.296 5.740 1.00 63.42 C ATOM 326 CG LYS A 22 -13.593 13.760 4.267 1.00 51.33 C ATOM 327 CD LYS A 22 -13.746 12.610 3.257 1.00 54.33 C ATOM 328 CE LYS A 22 -12.571 11.623 3.308 1.00 72.20 C ATOM 329 NZ LYS A 22 -12.688 10.575 2.260 1.00 63.25 N ATOM 0 H LYS A 22 -15.591 14.766 6.167 1.00 13.43 H new ATOM 0 HA LYS A 22 -15.295 11.928 5.625 1.00 64.03 H new ATOM 0 HB2 LYS A 22 -13.308 14.131 6.371 1.00 63.42 H new ATOM 0 HB3 LYS A 22 -12.865 12.513 5.867 1.00 63.42 H new ATOM 0 HG2 LYS A 22 -14.397 14.479 4.111 1.00 51.33 H new ATOM 0 HG3 LYS A 22 -12.656 14.282 4.071 1.00 51.33 H new ATOM 0 HD2 LYS A 22 -14.674 12.075 3.458 1.00 54.33 H new ATOM 0 HD3 LYS A 22 -13.827 13.022 2.251 1.00 54.33 H new ATOM 0 HE2 LYS A 22 -11.634 12.165 3.178 1.00 72.20 H new ATOM 0 HE3 LYS A 22 -12.533 11.153 4.291 1.00 72.20 H new ATOM 0 HZ1 LYS A 22 -11.760 10.422 1.817 1.00 63.25 H new ATOM 0 HZ2 LYS A 22 -13.017 9.688 2.692 1.00 63.25 H new ATOM 0 HZ3 LYS A 22 -13.370 10.882 1.537 1.00 63.25 H new ATOM 343 N LYS A 23 -14.885 10.915 7.844 1.00 20.02 N ATOM 344 CA LYS A 23 -14.742 10.207 9.131 1.00 20.43 C ATOM 345 C LYS A 23 -13.275 10.216 9.609 1.00 51.42 C ATOM 346 O LYS A 23 -12.997 10.416 10.802 1.00 72.12 O ATOM 347 CB LYS A 23 -15.252 8.754 8.964 1.00 33.11 C ATOM 348 CG LYS A 23 -16.719 8.655 8.481 1.00 73.44 C ATOM 349 CD LYS A 23 -17.137 7.210 8.117 1.00 23.51 C ATOM 350 CE LYS A 23 -16.333 6.635 6.937 1.00 33.21 C ATOM 351 NZ LYS A 23 -16.835 5.289 6.530 1.00 45.21 N ATOM 0 H LYS A 23 -15.022 10.284 7.055 1.00 20.02 H new ATOM 0 HA LYS A 23 -15.335 10.719 9.889 1.00 20.43 H new ATOM 0 HB2 LYS A 23 -14.610 8.234 8.253 1.00 33.11 H new ATOM 0 HB3 LYS A 23 -15.158 8.235 9.918 1.00 33.11 H new ATOM 0 HG2 LYS A 23 -17.379 9.033 9.261 1.00 73.44 H new ATOM 0 HG3 LYS A 23 -16.854 9.297 7.611 1.00 73.44 H new ATOM 0 HD2 LYS A 23 -17.004 6.568 8.988 1.00 23.51 H new ATOM 0 HD3 LYS A 23 -18.198 7.195 7.869 1.00 23.51 H new ATOM 0 HE2 LYS A 23 -16.393 7.317 6.089 1.00 33.21 H new ATOM 0 HE3 LYS A 23 -15.281 6.563 7.214 1.00 33.21 H new ATOM 0 HZ1 LYS A 23 -16.269 4.934 5.733 1.00 45.21 H new ATOM 0 HZ2 LYS A 23 -16.755 4.631 7.332 1.00 45.21 H new ATOM 0 HZ3 LYS A 23 -17.831 5.363 6.241 1.00 45.21 H new ATOM 365 N GLN A 24 -12.348 10.001 8.659 1.00 33.40 N ATOM 366 CA GLN A 24 -10.904 9.929 8.932 1.00 42.32 C ATOM 367 C GLN A 24 -10.136 10.910 8.025 1.00 63.44 C ATOM 368 O GLN A 24 -10.069 10.745 6.800 1.00 60.10 O ATOM 369 CB GLN A 24 -10.379 8.471 8.781 1.00 52.44 C ATOM 370 CG GLN A 24 -10.675 7.790 7.437 1.00 12.32 C ATOM 371 CD GLN A 24 -10.119 6.362 7.335 1.00 21.51 C ATOM 372 OE1 GLN A 24 -8.910 6.221 6.814 1.00 25.25 O flip ATOM 373 NE2 GLN A 24 -10.780 5.395 7.714 1.00 61.31 N flip ATOM 0 H GLN A 24 -12.582 9.872 7.675 1.00 33.40 H new ATOM 0 HA GLN A 24 -10.731 10.227 9.966 1.00 42.32 H new ATOM 0 HB2 GLN A 24 -9.300 8.476 8.935 1.00 52.44 H new ATOM 0 HB3 GLN A 24 -10.812 7.865 9.577 1.00 52.44 H new ATOM 0 HG2 GLN A 24 -11.754 7.763 7.283 1.00 12.32 H new ATOM 0 HG3 GLN A 24 -10.253 8.393 6.633 1.00 12.32 H new ATOM 0 HE21 GLN A 24 -11.709 5.536 8.111 1.00 61.31 H new ATOM 0 HE22 GLN A 24 -10.399 4.453 7.631 1.00 61.31 H new ATOM 382 N ILE A 25 -9.630 11.985 8.646 1.00 32.43 N ATOM 383 CA ILE A 25 -8.704 12.931 8.007 1.00 21.12 C ATOM 384 C ILE A 25 -7.284 12.365 8.180 1.00 33.14 C ATOM 385 O ILE A 25 -6.580 12.124 7.205 1.00 10.04 O ATOM 386 CB ILE A 25 -8.816 14.411 8.615 1.00 21.34 C ATOM 387 CG1 ILE A 25 -10.100 15.217 8.144 1.00 0.23 C ATOM 388 CG2 ILE A 25 -7.541 15.249 8.317 1.00 12.33 C ATOM 389 CD1 ILE A 25 -11.444 14.524 8.300 1.00 5.32 C ATOM 0 H ILE A 25 -9.853 12.224 9.612 1.00 32.43 H new ATOM 0 HA ILE A 25 -8.958 13.032 6.952 1.00 21.12 H new ATOM 0 HB ILE A 25 -8.917 14.257 9.689 1.00 21.34 H new ATOM 0 HG12 ILE A 25 -10.135 16.154 8.700 1.00 0.23 H new ATOM 0 HG13 ILE A 25 -9.972 15.475 7.093 1.00 0.23 H new ATOM 0 HG21 ILE A 25 -7.653 16.246 8.744 1.00 12.33 H new ATOM 0 HG22 ILE A 25 -6.673 14.760 8.759 1.00 12.33 H new ATOM 0 HG23 ILE A 25 -7.402 15.330 7.239 1.00 12.33 H new ATOM 0 HD11 ILE A 25 -12.236 15.181 7.942 1.00 5.32 H new ATOM 0 HD12 ILE A 25 -11.447 13.602 7.719 1.00 5.32 H new ATOM 0 HD13 ILE A 25 -11.613 14.291 9.351 1.00 5.32 H new ATOM 401 N GLU A 26 -6.925 12.083 9.448 1.00 0.23 N ATOM 402 CA GLU A 26 -5.563 11.697 9.857 1.00 33.23 C ATOM 403 C GLU A 26 -5.093 10.395 9.164 1.00 30.52 C ATOM 404 O GLU A 26 -4.036 10.379 8.516 1.00 31.11 O ATOM 405 CB GLU A 26 -5.525 11.540 11.405 1.00 31.44 C ATOM 406 CG GLU A 26 -4.141 11.220 11.991 1.00 55.43 C ATOM 407 CD GLU A 26 -4.166 11.019 13.515 1.00 61.41 C ATOM 408 OE1 GLU A 26 -4.161 12.018 14.267 1.00 62.04 O ATOM 409 OE2 GLU A 26 -4.192 9.860 13.974 1.00 72.35 O ATOM 0 H GLU A 26 -7.583 12.118 10.226 1.00 0.23 H new ATOM 0 HA GLU A 26 -4.874 12.482 9.546 1.00 33.23 H new ATOM 0 HB2 GLU A 26 -5.890 12.462 11.858 1.00 31.44 H new ATOM 0 HB3 GLU A 26 -6.217 10.748 11.692 1.00 31.44 H new ATOM 0 HG2 GLU A 26 -3.752 10.319 11.518 1.00 55.43 H new ATOM 0 HG3 GLU A 26 -3.453 12.030 11.748 1.00 55.43 H new ATOM 416 N PHE A 27 -5.916 9.331 9.282 1.00 51.33 N ATOM 417 CA PHE A 27 -5.566 7.972 8.815 1.00 42.01 C ATOM 418 C PHE A 27 -5.475 7.936 7.282 1.00 74.44 C ATOM 419 O PHE A 27 -4.488 7.430 6.734 1.00 62.44 O ATOM 420 CB PHE A 27 -6.603 6.924 9.336 1.00 41.22 C ATOM 421 CG PHE A 27 -6.167 5.448 9.246 1.00 50.42 C ATOM 422 CD1 PHE A 27 -5.762 4.753 10.390 1.00 32.02 C ATOM 423 CD2 PHE A 27 -6.155 4.755 8.030 1.00 1.32 C ATOM 424 CE1 PHE A 27 -5.363 3.428 10.315 1.00 50.21 C ATOM 425 CE2 PHE A 27 -5.753 3.431 7.967 1.00 12.32 C ATOM 426 CZ PHE A 27 -5.355 2.774 9.106 1.00 15.14 C ATOM 0 H PHE A 27 -6.843 9.390 9.704 1.00 51.33 H new ATOM 0 HA PHE A 27 -4.589 7.710 9.221 1.00 42.01 H new ATOM 0 HB2 PHE A 27 -6.831 7.153 10.377 1.00 41.22 H new ATOM 0 HB3 PHE A 27 -7.528 7.045 8.773 1.00 41.22 H new ATOM 0 HD1 PHE A 27 -5.760 5.256 11.346 1.00 32.02 H new ATOM 0 HD2 PHE A 27 -6.464 5.260 7.127 1.00 1.32 H new ATOM 0 HE1 PHE A 27 -5.057 2.907 11.210 1.00 50.21 H new ATOM 0 HE2 PHE A 27 -5.752 2.913 7.019 1.00 12.32 H new ATOM 0 HZ PHE A 27 -5.036 1.744 9.051 1.00 15.14 H new ATOM 436 N GLU A 28 -6.505 8.504 6.603 1.00 13.21 N ATOM 437 CA GLU A 28 -6.584 8.490 5.134 1.00 0.45 C ATOM 438 C GLU A 28 -5.440 9.326 4.527 1.00 13.35 C ATOM 439 O GLU A 28 -4.764 8.880 3.589 1.00 3.22 O ATOM 440 CB GLU A 28 -7.960 9.001 4.614 1.00 62.22 C ATOM 441 CG GLU A 28 -8.061 9.030 3.068 1.00 51.55 C ATOM 442 CD GLU A 28 -9.451 9.398 2.533 1.00 34.30 C ATOM 443 OE1 GLU A 28 -10.313 8.501 2.383 1.00 71.42 O ATOM 444 OE2 GLU A 28 -9.686 10.590 2.247 1.00 24.12 O ATOM 0 H GLU A 28 -7.288 8.975 7.057 1.00 13.21 H new ATOM 0 HA GLU A 28 -6.481 7.453 4.815 1.00 0.45 H new ATOM 0 HB2 GLU A 28 -8.750 8.363 5.010 1.00 62.22 H new ATOM 0 HB3 GLU A 28 -8.137 10.004 5.001 1.00 62.22 H new ATOM 0 HG2 GLU A 28 -7.335 9.745 2.681 1.00 51.55 H new ATOM 0 HG3 GLU A 28 -7.782 8.051 2.679 1.00 51.55 H new ATOM 451 N ASN A 29 -5.193 10.514 5.124 1.00 1.23 N ATOM 452 CA ASN A 29 -4.234 11.498 4.579 1.00 13.25 C ATOM 453 C ASN A 29 -2.786 10.986 4.709 1.00 1.14 C ATOM 454 O ASN A 29 -2.026 11.021 3.737 1.00 63.43 O ATOM 455 CB ASN A 29 -4.419 12.900 5.223 1.00 55.43 C ATOM 456 CG ASN A 29 -3.532 13.971 4.589 1.00 5.54 C ATOM 457 OD1 ASN A 29 -3.853 14.514 3.536 1.00 31.41 O ATOM 458 ND2 ASN A 29 -2.434 14.301 5.231 1.00 34.12 N ATOM 0 H ASN A 29 -5.647 10.814 5.987 1.00 1.23 H new ATOM 0 HA ASN A 29 -4.444 11.615 3.516 1.00 13.25 H new ATOM 0 HB2 ASN A 29 -5.463 13.200 5.132 1.00 55.43 H new ATOM 0 HB3 ASN A 29 -4.197 12.836 6.288 1.00 55.43 H new ATOM 0 HD21 ASN A 29 -1.822 15.026 4.856 1.00 34.12 H new ATOM 0 HD22 ASN A 29 -2.193 13.832 6.104 1.00 34.12 H new ATOM 465 N GLU A 30 -2.438 10.443 5.895 1.00 34.41 N ATOM 466 CA GLU A 30 -1.077 9.938 6.174 1.00 32.25 C ATOM 467 C GLU A 30 -0.801 8.631 5.404 1.00 12.02 C ATOM 468 O GLU A 30 0.312 8.427 4.924 1.00 43.10 O ATOM 469 CB GLU A 30 -0.858 9.728 7.690 1.00 1.05 C ATOM 470 CG GLU A 30 0.582 9.324 8.070 1.00 41.20 C ATOM 471 CD GLU A 30 0.769 9.101 9.578 1.00 71.45 C ATOM 472 OE1 GLU A 30 1.302 9.994 10.270 1.00 14.44 O ATOM 473 OE2 GLU A 30 0.360 8.034 10.077 1.00 2.25 O ATOM 0 H GLU A 30 -3.084 10.343 6.678 1.00 34.41 H new ATOM 0 HA GLU A 30 -0.371 10.694 5.830 1.00 32.25 H new ATOM 0 HB2 GLU A 30 -1.116 10.648 8.214 1.00 1.05 H new ATOM 0 HB3 GLU A 30 -1.545 8.958 8.042 1.00 1.05 H new ATOM 0 HG2 GLU A 30 0.849 8.411 7.538 1.00 41.20 H new ATOM 0 HG3 GLU A 30 1.271 10.100 7.736 1.00 41.20 H new ATOM 480 N LEU A 31 -1.830 7.764 5.285 1.00 24.32 N ATOM 481 CA LEU A 31 -1.736 6.509 4.454 1.00 30.05 C ATOM 482 C LEU A 31 -1.357 6.877 3.015 1.00 71.03 C ATOM 483 O LEU A 31 -0.368 6.385 2.475 1.00 2.50 O ATOM 484 CB LEU A 31 -3.075 5.670 4.408 1.00 1.34 C ATOM 485 CG LEU A 31 -3.159 4.460 3.342 1.00 33.53 C ATOM 486 CD1 LEU A 31 -2.661 3.093 3.872 1.00 25.21 C ATOM 487 CD2 LEU A 31 -4.582 4.281 2.729 1.00 63.43 C ATOM 0 H LEU A 31 -2.733 7.894 5.742 1.00 24.32 H new ATOM 0 HA LEU A 31 -0.978 5.889 4.931 1.00 30.05 H new ATOM 0 HB2 LEU A 31 -3.247 5.256 5.401 1.00 1.34 H new ATOM 0 HB3 LEU A 31 -3.896 6.357 4.203 1.00 1.34 H new ATOM 0 HG LEU A 31 -2.469 4.778 2.561 1.00 33.53 H new ATOM 0 HD11 LEU A 31 -2.755 2.342 3.087 1.00 25.21 H new ATOM 0 HD12 LEU A 31 -1.616 3.177 4.170 1.00 25.21 H new ATOM 0 HD13 LEU A 31 -3.261 2.796 4.732 1.00 25.21 H new ATOM 0 HD21 LEU A 31 -4.572 3.452 2.021 1.00 63.43 H new ATOM 0 HD22 LEU A 31 -5.297 4.070 3.524 1.00 63.43 H new ATOM 0 HD23 LEU A 31 -4.873 5.196 2.213 1.00 63.43 H new ATOM 499 N ARG A 32 -2.150 7.796 2.454 1.00 12.35 N ATOM 500 CA ARG A 32 -2.035 8.275 1.070 1.00 31.12 C ATOM 501 C ARG A 32 -0.705 9.039 0.848 1.00 52.25 C ATOM 502 O ARG A 32 -0.126 8.993 -0.241 1.00 52.40 O ATOM 503 CB ARG A 32 -3.280 9.151 0.787 1.00 43.12 C ATOM 504 CG ARG A 32 -3.358 9.861 -0.573 1.00 75.53 C ATOM 505 CD ARG A 32 -4.636 10.711 -0.702 1.00 13.10 C ATOM 506 NE ARG A 32 -4.748 11.714 0.375 1.00 61.52 N ATOM 507 CZ ARG A 32 -5.841 11.924 1.127 1.00 53.04 C ATOM 508 NH1 ARG A 32 -6.944 11.199 0.945 1.00 15.20 N ATOM 509 NH2 ARG A 32 -5.823 12.877 2.045 1.00 31.42 N ATOM 0 H ARG A 32 -2.913 8.241 2.965 1.00 12.35 H new ATOM 0 HA ARG A 32 -2.007 7.441 0.369 1.00 31.12 H new ATOM 0 HB2 ARG A 32 -4.164 8.521 0.888 1.00 43.12 H new ATOM 0 HB3 ARG A 32 -3.340 9.911 1.566 1.00 43.12 H new ATOM 0 HG2 ARG A 32 -2.483 10.498 -0.701 1.00 75.53 H new ATOM 0 HG3 ARG A 32 -3.332 9.120 -1.372 1.00 75.53 H new ATOM 0 HD2 ARG A 32 -4.639 11.216 -1.668 1.00 13.10 H new ATOM 0 HD3 ARG A 32 -5.509 10.058 -0.681 1.00 13.10 H new ATOM 0 HE ARG A 32 -3.930 12.294 0.563 1.00 61.52 H new ATOM 0 HH11 ARG A 32 -6.965 10.474 0.228 1.00 15.20 H new ATOM 0 HH12 ARG A 32 -7.767 11.369 1.523 1.00 15.20 H new ATOM 0 HH21 ARG A 32 -4.985 13.443 2.176 1.00 31.42 H new ATOM 0 HH22 ARG A 32 -6.647 13.045 2.622 1.00 31.42 H new ATOM 523 N SER A 33 -0.208 9.696 1.913 1.00 24.53 N ATOM 524 CA SER A 33 1.039 10.480 1.874 1.00 35.43 C ATOM 525 C SER A 33 2.286 9.566 1.926 1.00 13.10 C ATOM 526 O SER A 33 3.276 9.803 1.219 1.00 3.13 O ATOM 527 CB SER A 33 1.048 11.480 3.044 1.00 21.11 C ATOM 528 OG SER A 33 2.212 12.285 3.045 1.00 64.24 O ATOM 0 H SER A 33 -0.662 9.697 2.826 1.00 24.53 H new ATOM 0 HA SER A 33 1.079 11.024 0.930 1.00 35.43 H new ATOM 0 HB2 SER A 33 0.166 12.118 2.982 1.00 21.11 H new ATOM 0 HB3 SER A 33 0.983 10.936 3.986 1.00 21.11 H new ATOM 0 HG SER A 33 2.179 12.907 3.802 1.00 64.24 H new ATOM 534 N MET A 34 2.219 8.507 2.757 1.00 63.22 N ATOM 535 CA MET A 34 3.319 7.515 2.894 1.00 55.35 C ATOM 536 C MET A 34 3.309 6.551 1.690 1.00 62.31 C ATOM 537 O MET A 34 4.336 5.952 1.336 1.00 21.22 O ATOM 538 CB MET A 34 3.212 6.699 4.226 1.00 72.35 C ATOM 539 CG MET A 34 3.341 7.504 5.538 1.00 0.12 C ATOM 540 SD MET A 34 3.447 6.438 7.001 1.00 74.44 S ATOM 541 CE MET A 34 1.941 5.468 6.883 1.00 14.31 C ATOM 0 H MET A 34 1.412 8.311 3.349 1.00 63.22 H new ATOM 0 HA MET A 34 4.258 8.068 2.919 1.00 55.35 H new ATOM 0 HB2 MET A 34 2.251 6.184 4.235 1.00 72.35 H new ATOM 0 HB3 MET A 34 3.986 5.931 4.219 1.00 72.35 H new ATOM 0 HG2 MET A 34 4.228 8.135 5.487 1.00 0.12 H new ATOM 0 HG3 MET A 34 2.483 8.169 5.638 1.00 0.12 H new ATOM 0 HE1 MET A 34 1.565 5.256 7.884 1.00 14.31 H new ATOM 0 HE2 MET A 34 1.191 6.028 6.325 1.00 14.31 H new ATOM 0 HE3 MET A 34 2.152 4.530 6.369 1.00 14.31 H new ATOM 551 N LEU A 35 2.129 6.435 1.059 1.00 23.41 N ATOM 552 CA LEU A 35 1.940 5.614 -0.155 1.00 12.34 C ATOM 553 C LEU A 35 2.517 6.409 -1.349 1.00 10.12 C ATOM 554 O LEU A 35 3.116 5.826 -2.247 1.00 64.45 O ATOM 555 CB LEU A 35 0.413 5.248 -0.366 1.00 2.33 C ATOM 556 CG LEU A 35 0.029 3.925 -1.133 1.00 1.31 C ATOM 557 CD1 LEU A 35 -1.489 3.639 -0.998 1.00 11.32 C ATOM 558 CD2 LEU A 35 0.422 3.977 -2.618 1.00 3.42 C ATOM 0 H LEU A 35 1.280 6.905 1.372 1.00 23.41 H new ATOM 0 HA LEU A 35 2.464 4.663 -0.060 1.00 12.34 H new ATOM 0 HB2 LEU A 35 -0.050 5.200 0.620 1.00 2.33 H new ATOM 0 HB3 LEU A 35 -0.052 6.079 -0.896 1.00 2.33 H new ATOM 0 HG LEU A 35 0.593 3.115 -0.671 1.00 1.31 H new ATOM 0 HD11 LEU A 35 -1.736 2.722 -1.534 1.00 11.32 H new ATOM 0 HD12 LEU A 35 -1.745 3.524 0.055 1.00 11.32 H new ATOM 0 HD13 LEU A 35 -2.055 4.469 -1.421 1.00 11.32 H new ATOM 0 HD21 LEU A 35 0.137 3.043 -3.103 1.00 3.42 H new ATOM 0 HD22 LEU A 35 -0.091 4.808 -3.101 1.00 3.42 H new ATOM 0 HD23 LEU A 35 1.500 4.116 -2.705 1.00 3.42 H new ATOM 570 N ALA A 36 2.351 7.756 -1.313 1.00 22.21 N ATOM 571 CA ALA A 36 2.984 8.677 -2.278 1.00 63.03 C ATOM 572 C ALA A 36 4.512 8.530 -2.255 1.00 14.13 C ATOM 573 O ALA A 36 5.155 8.468 -3.305 1.00 22.45 O ATOM 574 CB ALA A 36 2.598 10.129 -1.980 1.00 23.34 C ATOM 0 H ALA A 36 1.776 8.228 -0.615 1.00 22.21 H new ATOM 0 HA ALA A 36 2.622 8.414 -3.272 1.00 63.03 H new ATOM 0 HB1 ALA A 36 3.076 10.789 -2.704 1.00 23.34 H new ATOM 0 HB2 ALA A 36 1.516 10.239 -2.048 1.00 23.34 H new ATOM 0 HB3 ALA A 36 2.927 10.394 -0.975 1.00 23.34 H new ATOM 580 N THR A 37 5.061 8.455 -1.029 1.00 43.35 N ATOM 581 CA THR A 37 6.487 8.208 -0.797 1.00 40.24 C ATOM 582 C THR A 37 6.902 6.865 -1.431 1.00 32.32 C ATOM 583 O THR A 37 7.894 6.779 -2.161 1.00 34.43 O ATOM 584 CB THR A 37 6.778 8.180 0.744 1.00 31.54 C ATOM 585 OG1 THR A 37 6.203 9.339 1.377 1.00 54.13 O ATOM 586 CG2 THR A 37 8.282 8.118 1.057 1.00 41.13 C ATOM 0 H THR A 37 4.521 8.565 -0.170 1.00 43.35 H new ATOM 0 HA THR A 37 7.064 9.010 -1.257 1.00 40.24 H new ATOM 0 HB THR A 37 6.321 7.272 1.138 1.00 31.54 H new ATOM 0 HG1 THR A 37 5.226 9.265 1.370 1.00 54.13 H new ATOM 0 HG21 THR A 37 8.428 8.101 2.137 1.00 41.13 H new ATOM 0 HG22 THR A 37 8.708 7.216 0.618 1.00 41.13 H new ATOM 0 HG23 THR A 37 8.777 8.994 0.638 1.00 41.13 H new ATOM 594 N ALA A 38 6.073 5.838 -1.173 1.00 50.22 N ATOM 595 CA ALA A 38 6.300 4.468 -1.656 1.00 44.10 C ATOM 596 C ALA A 38 6.203 4.359 -3.199 1.00 14.34 C ATOM 597 O ALA A 38 6.828 3.476 -3.790 1.00 51.25 O ATOM 598 CB ALA A 38 5.324 3.518 -0.959 1.00 1.42 C ATOM 0 H ALA A 38 5.222 5.938 -0.620 1.00 50.22 H new ATOM 0 HA ALA A 38 7.321 4.181 -1.403 1.00 44.10 H new ATOM 0 HB1 ALA A 38 5.489 2.501 -1.315 1.00 1.42 H new ATOM 0 HB2 ALA A 38 5.486 3.556 0.118 1.00 1.42 H new ATOM 0 HB3 ALA A 38 4.301 3.819 -1.183 1.00 1.42 H new ATOM 604 N LEU A 39 5.435 5.273 -3.846 1.00 72.34 N ATOM 605 CA LEU A 39 5.383 5.367 -5.332 1.00 23.35 C ATOM 606 C LEU A 39 6.712 5.950 -5.873 1.00 70.11 C ATOM 607 O LEU A 39 7.164 5.592 -6.967 1.00 0.43 O ATOM 608 CB LEU A 39 4.200 6.272 -5.834 1.00 11.15 C ATOM 609 CG LEU A 39 2.722 5.890 -5.458 1.00 50.15 C ATOM 610 CD1 LEU A 39 1.749 7.043 -5.787 1.00 74.21 C ATOM 611 CD2 LEU A 39 2.259 4.584 -6.146 1.00 33.02 C ATOM 0 H LEU A 39 4.845 5.953 -3.366 1.00 72.34 H new ATOM 0 HA LEU A 39 5.223 4.356 -5.706 1.00 23.35 H new ATOM 0 HB2 LEU A 39 4.381 7.281 -5.464 1.00 11.15 H new ATOM 0 HB3 LEU A 39 4.260 6.315 -6.921 1.00 11.15 H new ATOM 0 HG LEU A 39 2.709 5.716 -4.382 1.00 50.15 H new ATOM 0 HD11 LEU A 39 0.734 6.751 -5.517 1.00 74.21 H new ATOM 0 HD12 LEU A 39 2.033 7.931 -5.223 1.00 74.21 H new ATOM 0 HD13 LEU A 39 1.792 7.262 -6.854 1.00 74.21 H new ATOM 0 HD21 LEU A 39 1.232 4.363 -5.854 1.00 33.02 H new ATOM 0 HD22 LEU A 39 2.311 4.705 -7.228 1.00 33.02 H new ATOM 0 HD23 LEU A 39 2.907 3.763 -5.841 1.00 33.02 H new ATOM 623 N GLU A 40 7.304 6.877 -5.091 1.00 12.11 N ATOM 624 CA GLU A 40 8.586 7.544 -5.431 1.00 15.22 C ATOM 625 C GLU A 40 9.782 6.626 -5.172 1.00 14.00 C ATOM 626 O GLU A 40 10.854 6.827 -5.746 1.00 32.44 O ATOM 627 CB GLU A 40 8.747 8.858 -4.633 1.00 20.12 C ATOM 628 CG GLU A 40 7.652 9.893 -4.917 1.00 44.00 C ATOM 629 CD GLU A 40 7.872 11.204 -4.161 1.00 73.11 C ATOM 630 OE1 GLU A 40 8.854 11.916 -4.470 1.00 22.53 O ATOM 631 OE2 GLU A 40 7.073 11.535 -3.265 1.00 35.24 O ATOM 0 H GLU A 40 6.908 7.187 -4.203 1.00 12.11 H new ATOM 0 HA GLU A 40 8.560 7.776 -6.496 1.00 15.22 H new ATOM 0 HB2 GLU A 40 8.748 8.627 -3.568 1.00 20.12 H new ATOM 0 HB3 GLU A 40 9.717 9.297 -4.865 1.00 20.12 H new ATOM 0 HG2 GLU A 40 7.618 10.096 -5.987 1.00 44.00 H new ATOM 0 HG3 GLU A 40 6.683 9.477 -4.641 1.00 44.00 H new ATOM 638 N LYS A 41 9.587 5.644 -4.287 1.00 61.31 N ATOM 639 CA LYS A 41 10.576 4.588 -4.027 1.00 20.25 C ATOM 640 C LYS A 41 10.550 3.548 -5.162 1.00 24.32 C ATOM 641 O LYS A 41 9.468 3.198 -5.648 1.00 21.52 O ATOM 642 CB LYS A 41 10.277 3.919 -2.664 1.00 2.21 C ATOM 643 CG LYS A 41 10.389 4.859 -1.452 1.00 11.34 C ATOM 644 CD LYS A 41 11.835 5.464 -1.301 1.00 63.35 C ATOM 645 CE LYS A 41 12.044 6.561 -0.208 1.00 32.25 C ATOM 646 NZ LYS A 41 13.465 6.982 -0.197 1.00 5.00 N ATOM 0 H LYS A 41 8.738 5.557 -3.728 1.00 61.31 H new ATOM 0 HA LYS A 41 11.573 5.028 -3.989 1.00 20.25 H new ATOM 0 HB2 LYS A 41 9.270 3.502 -2.692 1.00 2.21 H new ATOM 0 HB3 LYS A 41 10.964 3.085 -2.525 1.00 2.21 H new ATOM 0 HG2 LYS A 41 9.667 5.669 -1.554 1.00 11.34 H new ATOM 0 HG3 LYS A 41 10.129 4.313 -0.545 1.00 11.34 H new ATOM 0 HD2 LYS A 41 12.523 4.645 -1.092 1.00 63.35 H new ATOM 0 HD3 LYS A 41 12.126 5.887 -2.263 1.00 63.35 H new ATOM 0 HE2 LYS A 41 11.401 7.418 -0.410 1.00 32.25 H new ATOM 0 HE3 LYS A 41 11.761 6.173 0.771 1.00 32.25 H new ATOM 0 HZ1 LYS A 41 13.605 7.712 0.530 1.00 5.00 H new ATOM 0 HZ2 LYS A 41 14.068 6.162 0.015 1.00 5.00 H new ATOM 0 HZ3 LYS A 41 13.720 7.368 -1.129 1.00 5.00 H new ATOM 660 N ASP A 42 11.745 3.074 -5.586 1.00 34.04 N ATOM 661 CA ASP A 42 11.879 2.043 -6.634 1.00 32.24 C ATOM 662 C ASP A 42 11.355 0.706 -6.094 1.00 53.12 C ATOM 663 O ASP A 42 11.994 0.064 -5.246 1.00 73.23 O ATOM 664 CB ASP A 42 13.348 1.892 -7.119 1.00 5.35 C ATOM 665 CG ASP A 42 13.855 3.127 -7.893 1.00 3.45 C ATOM 666 OD1 ASP A 42 13.442 3.329 -9.062 1.00 44.43 O ATOM 667 OD2 ASP A 42 14.667 3.905 -7.344 1.00 71.02 O ATOM 0 H ASP A 42 12.637 3.396 -5.211 1.00 34.04 H new ATOM 0 HA ASP A 42 11.289 2.354 -7.496 1.00 32.24 H new ATOM 0 HB2 ASP A 42 13.994 1.719 -6.258 1.00 5.35 H new ATOM 0 HB3 ASP A 42 13.426 1.012 -7.758 1.00 5.35 H new ATOM 672 N ILE A 43 10.189 0.303 -6.589 1.00 43.04 N ATOM 673 CA ILE A 43 9.440 -0.856 -6.087 1.00 2.11 C ATOM 674 C ILE A 43 9.331 -1.925 -7.186 1.00 14.31 C ATOM 675 O ILE A 43 9.188 -1.592 -8.371 1.00 34.12 O ATOM 676 CB ILE A 43 8.027 -0.404 -5.552 1.00 75.55 C ATOM 677 CG1 ILE A 43 7.287 0.504 -6.591 1.00 2.32 C ATOM 678 CG2 ILE A 43 8.183 0.315 -4.198 1.00 22.43 C ATOM 679 CD1 ILE A 43 5.999 1.142 -6.099 1.00 33.24 C ATOM 0 H ILE A 43 9.726 0.777 -7.364 1.00 43.04 H new ATOM 0 HA ILE A 43 9.974 -1.301 -5.248 1.00 2.11 H new ATOM 0 HB ILE A 43 7.413 -1.293 -5.407 1.00 75.55 H new ATOM 0 HG12 ILE A 43 7.967 1.295 -6.906 1.00 2.32 H new ATOM 0 HG13 ILE A 43 7.062 -0.093 -7.475 1.00 2.32 H new ATOM 0 HG21 ILE A 43 7.203 0.624 -3.835 1.00 22.43 H new ATOM 0 HG22 ILE A 43 8.640 -0.363 -3.477 1.00 22.43 H new ATOM 0 HG23 ILE A 43 8.817 1.193 -4.323 1.00 22.43 H new ATOM 0 HD11 ILE A 43 5.567 1.749 -6.894 1.00 33.24 H new ATOM 0 HD12 ILE A 43 5.293 0.362 -5.813 1.00 33.24 H new ATOM 0 HD13 ILE A 43 6.212 1.773 -5.236 1.00 33.24 H new ATOM 691 N SER A 44 9.435 -3.211 -6.771 1.00 31.32 N ATOM 692 CA SER A 44 9.422 -4.393 -7.673 1.00 64.24 C ATOM 693 C SER A 44 8.100 -4.404 -8.484 1.00 44.53 C ATOM 694 O SER A 44 7.096 -3.907 -7.976 1.00 71.11 O ATOM 695 CB SER A 44 9.582 -5.690 -6.817 1.00 32.51 C ATOM 696 OG SER A 44 10.623 -5.563 -5.857 1.00 74.02 O ATOM 0 H SER A 44 9.532 -3.462 -5.787 1.00 31.32 H new ATOM 0 HA SER A 44 10.251 -4.346 -8.379 1.00 64.24 H new ATOM 0 HB2 SER A 44 8.643 -5.908 -6.308 1.00 32.51 H new ATOM 0 HB3 SER A 44 9.793 -6.535 -7.473 1.00 32.51 H new ATOM 0 HG SER A 44 10.693 -6.392 -5.339 1.00 74.02 H new ATOM 702 N GLN A 45 8.110 -4.934 -9.731 1.00 43.24 N ATOM 703 CA GLN A 45 6.974 -4.813 -10.685 1.00 24.34 C ATOM 704 C GLN A 45 5.579 -5.142 -10.065 1.00 64.13 C ATOM 705 O GLN A 45 4.607 -4.432 -10.336 1.00 5.51 O ATOM 706 CB GLN A 45 7.249 -5.666 -11.959 1.00 42.53 C ATOM 707 CG GLN A 45 6.191 -5.521 -13.075 1.00 60.41 C ATOM 708 CD GLN A 45 6.604 -6.153 -14.406 1.00 23.33 C ATOM 709 OE1 GLN A 45 6.338 -7.329 -14.672 1.00 60.41 O ATOM 710 NE2 GLN A 45 7.272 -5.374 -15.247 1.00 54.40 N ATOM 0 H GLN A 45 8.902 -5.456 -10.106 1.00 43.24 H new ATOM 0 HA GLN A 45 6.916 -3.760 -10.961 1.00 24.34 H new ATOM 0 HB2 GLN A 45 8.223 -5.388 -12.362 1.00 42.53 H new ATOM 0 HB3 GLN A 45 7.311 -6.715 -11.670 1.00 42.53 H new ATOM 0 HG2 GLN A 45 5.259 -5.978 -12.741 1.00 60.41 H new ATOM 0 HG3 GLN A 45 5.988 -4.462 -13.234 1.00 60.41 H new ATOM 0 HE21 GLN A 45 7.475 -4.407 -14.995 1.00 54.40 H new ATOM 0 HE22 GLN A 45 7.583 -5.742 -16.146 1.00 54.40 H new ATOM 719 N GLU A 46 5.513 -6.166 -9.177 1.00 22.33 N ATOM 720 CA GLU A 46 4.249 -6.591 -8.517 1.00 22.21 C ATOM 721 C GLU A 46 3.823 -5.573 -7.432 1.00 74.15 C ATOM 722 O GLU A 46 2.640 -5.333 -7.217 1.00 61.02 O ATOM 723 CB GLU A 46 4.389 -8.005 -7.875 1.00 60.33 C ATOM 724 CG GLU A 46 4.655 -9.169 -8.861 1.00 70.43 C ATOM 725 CD GLU A 46 6.094 -9.212 -9.416 1.00 52.42 C ATOM 726 OE1 GLU A 46 6.982 -9.759 -8.735 1.00 24.22 O ATOM 727 OE2 GLU A 46 6.346 -8.706 -10.530 1.00 11.20 O ATOM 0 H GLU A 46 6.325 -6.717 -8.899 1.00 22.33 H new ATOM 0 HA GLU A 46 3.482 -6.633 -9.290 1.00 22.21 H new ATOM 0 HB2 GLU A 46 5.202 -7.975 -7.150 1.00 60.33 H new ATOM 0 HB3 GLU A 46 3.476 -8.224 -7.321 1.00 60.33 H new ATOM 0 HG2 GLU A 46 4.444 -10.112 -8.357 1.00 70.43 H new ATOM 0 HG3 GLU A 46 3.958 -9.090 -9.695 1.00 70.43 H new ATOM 734 N GLU A 47 4.821 -4.961 -6.788 1.00 32.22 N ATOM 735 CA GLU A 47 4.631 -4.030 -5.650 1.00 31.22 C ATOM 736 C GLU A 47 4.112 -2.695 -6.224 1.00 24.33 C ATOM 737 O GLU A 47 3.180 -2.075 -5.687 1.00 74.32 O ATOM 738 CB GLU A 47 5.998 -3.856 -4.871 1.00 13.13 C ATOM 739 CG GLU A 47 5.907 -3.610 -3.345 1.00 34.13 C ATOM 740 CD GLU A 47 5.088 -2.374 -2.942 1.00 2.51 C ATOM 741 OE1 GLU A 47 3.891 -2.511 -2.609 1.00 60.41 O ATOM 742 OE2 GLU A 47 5.647 -1.271 -2.944 1.00 71.30 O ATOM 0 H GLU A 47 5.801 -5.094 -7.039 1.00 32.22 H new ATOM 0 HA GLU A 47 3.905 -4.414 -4.933 1.00 31.22 H new ATOM 0 HB2 GLU A 47 6.599 -4.751 -5.035 1.00 13.13 H new ATOM 0 HB3 GLU A 47 6.539 -3.022 -5.318 1.00 13.13 H new ATOM 0 HG2 GLU A 47 5.468 -4.490 -2.874 1.00 34.13 H new ATOM 0 HG3 GLU A 47 6.916 -3.506 -2.947 1.00 34.13 H new ATOM 749 N ARG A 48 4.697 -2.319 -7.379 1.00 64.14 N ATOM 750 CA ARG A 48 4.243 -1.194 -8.187 1.00 13.33 C ATOM 751 C ARG A 48 2.798 -1.418 -8.642 1.00 33.34 C ATOM 752 O ARG A 48 1.983 -0.508 -8.569 1.00 14.32 O ATOM 753 CB ARG A 48 5.170 -0.976 -9.405 1.00 22.14 C ATOM 754 CG ARG A 48 4.839 0.304 -10.190 1.00 23.31 C ATOM 755 CD ARG A 48 5.705 0.510 -11.440 1.00 63.51 C ATOM 756 NE ARG A 48 5.246 1.655 -12.243 1.00 61.11 N ATOM 757 CZ ARG A 48 4.474 1.572 -13.338 1.00 65.13 C ATOM 758 NH1 ARG A 48 4.065 0.391 -13.789 1.00 1.12 N ATOM 759 NH2 ARG A 48 4.111 2.674 -13.969 1.00 53.10 N ATOM 0 H ARG A 48 5.506 -2.800 -7.772 1.00 64.14 H new ATOM 0 HA ARG A 48 4.281 -0.294 -7.573 1.00 13.33 H new ATOM 0 HB2 ARG A 48 6.204 -0.929 -9.064 1.00 22.14 H new ATOM 0 HB3 ARG A 48 5.093 -1.835 -10.072 1.00 22.14 H new ATOM 0 HG2 ARG A 48 3.791 0.275 -10.487 1.00 23.31 H new ATOM 0 HG3 ARG A 48 4.960 1.164 -9.531 1.00 23.31 H new ATOM 0 HD2 ARG A 48 6.741 0.668 -11.142 1.00 63.51 H new ATOM 0 HD3 ARG A 48 5.683 -0.393 -12.050 1.00 63.51 H new ATOM 0 HE ARG A 48 5.538 2.585 -11.944 1.00 61.11 H new ATOM 0 HH11 ARG A 48 4.337 -0.463 -13.302 1.00 1.12 H new ATOM 0 HH12 ARG A 48 3.479 0.338 -14.622 1.00 1.12 H new ATOM 0 HH21 ARG A 48 4.417 3.584 -13.624 1.00 53.10 H new ATOM 0 HH22 ARG A 48 3.524 2.615 -14.801 1.00 53.10 H new ATOM 773 N ASN A 49 2.495 -2.658 -9.083 1.00 53.53 N ATOM 774 CA ASN A 49 1.129 -3.037 -9.490 1.00 51.34 C ATOM 775 C ASN A 49 0.131 -2.838 -8.331 1.00 41.31 C ATOM 776 O ASN A 49 -0.937 -2.276 -8.532 1.00 72.53 O ATOM 777 CB ASN A 49 1.055 -4.498 -10.031 1.00 33.10 C ATOM 778 CG ASN A 49 1.731 -4.697 -11.392 1.00 23.45 C ATOM 779 OD1 ASN A 49 1.963 -3.747 -12.143 1.00 14.12 O ATOM 780 ND2 ASN A 49 1.995 -5.951 -11.742 1.00 45.24 N ATOM 0 H ASN A 49 3.178 -3.411 -9.165 1.00 53.53 H new ATOM 0 HA ASN A 49 0.850 -2.374 -10.309 1.00 51.34 H new ATOM 0 HB2 ASN A 49 1.519 -5.166 -9.306 1.00 33.10 H new ATOM 0 HB3 ASN A 49 0.008 -4.792 -10.111 1.00 33.10 H new ATOM 0 HD21 ASN A 49 2.402 -6.151 -12.656 1.00 45.24 H new ATOM 0 HD22 ASN A 49 1.791 -6.714 -11.097 1.00 45.24 H new ATOM 787 N ALA A 50 0.531 -3.246 -7.112 1.00 51.43 N ATOM 788 CA ALA A 50 -0.318 -3.152 -5.914 1.00 21.00 C ATOM 789 C ALA A 50 -0.658 -1.686 -5.572 1.00 34.42 C ATOM 790 O ALA A 50 -1.826 -1.355 -5.310 1.00 13.31 O ATOM 791 CB ALA A 50 0.372 -3.855 -4.732 1.00 31.53 C ATOM 0 H ALA A 50 1.451 -3.649 -6.932 1.00 51.43 H new ATOM 0 HA ALA A 50 -1.263 -3.655 -6.120 1.00 21.00 H new ATOM 0 HB1 ALA A 50 -0.260 -3.783 -3.847 1.00 31.53 H new ATOM 0 HB2 ALA A 50 0.535 -4.904 -4.978 1.00 31.53 H new ATOM 0 HB3 ALA A 50 1.331 -3.376 -4.533 1.00 31.53 H new ATOM 797 N LEU A 51 0.359 -0.801 -5.614 1.00 21.50 N ATOM 798 CA LEU A 51 0.181 0.628 -5.259 1.00 55.32 C ATOM 799 C LEU A 51 -0.471 1.444 -6.416 1.00 22.33 C ATOM 800 O LEU A 51 -1.150 2.464 -6.168 1.00 15.34 O ATOM 801 CB LEU A 51 1.530 1.273 -4.804 1.00 40.13 C ATOM 802 CG LEU A 51 2.345 0.578 -3.643 1.00 33.23 C ATOM 803 CD1 LEU A 51 3.596 1.398 -3.262 1.00 12.44 C ATOM 804 CD2 LEU A 51 1.509 0.311 -2.371 1.00 32.02 C ATOM 0 H LEU A 51 1.310 -1.047 -5.889 1.00 21.50 H new ATOM 0 HA LEU A 51 -0.509 0.661 -4.416 1.00 55.32 H new ATOM 0 HB2 LEU A 51 2.180 1.331 -5.677 1.00 40.13 H new ATOM 0 HB3 LEU A 51 1.320 2.297 -4.494 1.00 40.13 H new ATOM 0 HG LEU A 51 2.643 -0.389 -4.049 1.00 33.23 H new ATOM 0 HD11 LEU A 51 4.133 0.891 -2.460 1.00 12.44 H new ATOM 0 HD12 LEU A 51 4.247 1.494 -4.131 1.00 12.44 H new ATOM 0 HD13 LEU A 51 3.293 2.389 -2.925 1.00 12.44 H new ATOM 0 HD21 LEU A 51 2.135 -0.168 -1.618 1.00 32.02 H new ATOM 0 HD22 LEU A 51 1.129 1.255 -1.980 1.00 32.02 H new ATOM 0 HD23 LEU A 51 0.672 -0.343 -2.616 1.00 32.02 H new ATOM 816 N ASN A 52 -0.298 0.994 -7.677 1.00 54.42 N ATOM 817 CA ASN A 52 -0.990 1.615 -8.836 1.00 25.51 C ATOM 818 C ASN A 52 -2.490 1.260 -8.806 1.00 3.03 C ATOM 819 O ASN A 52 -3.356 2.128 -9.009 1.00 63.13 O ATOM 820 CB ASN A 52 -0.370 1.222 -10.208 1.00 52.34 C ATOM 821 CG ASN A 52 0.973 1.907 -10.499 1.00 45.43 C ATOM 822 OD1 ASN A 52 1.820 2.041 -9.616 1.00 34.34 O ATOM 823 ND2 ASN A 52 1.150 2.412 -11.720 1.00 13.05 N ATOM 0 H ASN A 52 0.308 0.211 -7.921 1.00 54.42 H new ATOM 0 HA ASN A 52 -0.860 2.693 -8.738 1.00 25.51 H new ATOM 0 HB2 ASN A 52 -0.230 0.141 -10.237 1.00 52.34 H new ATOM 0 HB3 ASN A 52 -1.075 1.474 -11.000 1.00 52.34 H new ATOM 0 HD21 ASN A 52 2.004 2.924 -11.941 1.00 13.05 H new ATOM 0 HD22 ASN A 52 0.432 2.286 -12.433 1.00 13.05 H new ATOM 830 N ILE A 53 -2.782 -0.024 -8.504 1.00 45.14 N ATOM 831 CA ILE A 53 -4.163 -0.528 -8.343 1.00 60.11 C ATOM 832 C ILE A 53 -4.805 0.123 -7.101 1.00 21.12 C ATOM 833 O ILE A 53 -6.026 0.314 -7.050 1.00 11.12 O ATOM 834 CB ILE A 53 -4.217 -2.114 -8.270 1.00 10.25 C ATOM 835 CG1 ILE A 53 -3.783 -2.747 -9.637 1.00 72.00 C ATOM 836 CG2 ILE A 53 -5.614 -2.640 -7.845 1.00 50.53 C ATOM 837 CD1 ILE A 53 -3.596 -4.255 -9.612 1.00 2.30 C ATOM 0 H ILE A 53 -2.068 -0.739 -8.365 1.00 45.14 H new ATOM 0 HA ILE A 53 -4.738 -0.248 -9.226 1.00 60.11 H new ATOM 0 HB ILE A 53 -3.511 -2.420 -7.498 1.00 10.25 H new ATOM 0 HG12 ILE A 53 -4.532 -2.501 -10.389 1.00 72.00 H new ATOM 0 HG13 ILE A 53 -2.848 -2.285 -9.955 1.00 72.00 H new ATOM 0 HG21 ILE A 53 -5.598 -3.729 -7.810 1.00 50.53 H new ATOM 0 HG22 ILE A 53 -5.865 -2.249 -6.859 1.00 50.53 H new ATOM 0 HG23 ILE A 53 -6.362 -2.311 -8.567 1.00 50.53 H new ATOM 0 HD11 ILE A 53 -3.296 -4.601 -10.601 1.00 2.30 H new ATOM 0 HD12 ILE A 53 -2.824 -4.514 -8.888 1.00 2.30 H new ATOM 0 HD13 ILE A 53 -4.534 -4.733 -9.329 1.00 2.30 H new ATOM 849 N ALA A 54 -3.955 0.507 -6.118 1.00 60.11 N ATOM 850 CA ALA A 54 -4.384 1.338 -4.989 1.00 21.34 C ATOM 851 C ALA A 54 -4.924 2.689 -5.499 1.00 65.31 C ATOM 852 O ALA A 54 -6.075 3.006 -5.221 1.00 72.41 O ATOM 853 CB ALA A 54 -3.258 1.524 -3.956 1.00 25.44 C ATOM 0 H ALA A 54 -2.968 0.249 -6.093 1.00 60.11 H new ATOM 0 HA ALA A 54 -5.193 0.821 -4.473 1.00 21.34 H new ATOM 0 HB1 ALA A 54 -3.616 2.146 -3.135 1.00 25.44 H new ATOM 0 HB2 ALA A 54 -2.955 0.551 -3.569 1.00 25.44 H new ATOM 0 HB3 ALA A 54 -2.404 2.007 -4.431 1.00 25.44 H new ATOM 859 N GLU A 55 -4.126 3.429 -6.329 1.00 4.11 N ATOM 860 CA GLU A 55 -4.564 4.772 -6.853 1.00 60.55 C ATOM 861 C GLU A 55 -5.915 4.684 -7.601 1.00 33.33 C ATOM 862 O GLU A 55 -6.868 5.418 -7.267 1.00 1.25 O ATOM 863 CB GLU A 55 -3.525 5.483 -7.805 1.00 34.44 C ATOM 864 CG GLU A 55 -2.426 6.347 -7.148 1.00 33.04 C ATOM 865 CD GLU A 55 -2.986 7.328 -6.103 1.00 23.52 C ATOM 866 OE1 GLU A 55 -3.634 8.327 -6.501 1.00 5.42 O ATOM 867 OE2 GLU A 55 -2.775 7.115 -4.894 1.00 24.55 O ATOM 0 H GLU A 55 -3.202 3.133 -6.645 1.00 4.11 H new ATOM 0 HA GLU A 55 -4.656 5.379 -5.952 1.00 60.55 H new ATOM 0 HB2 GLU A 55 -3.035 4.713 -8.402 1.00 34.44 H new ATOM 0 HB3 GLU A 55 -4.081 6.116 -8.496 1.00 34.44 H new ATOM 0 HG2 GLU A 55 -1.693 5.695 -6.672 1.00 33.04 H new ATOM 0 HG3 GLU A 55 -1.900 6.907 -7.921 1.00 33.04 H new ATOM 874 N LYS A 56 -5.990 3.775 -8.600 1.00 74.52 N ATOM 875 CA LYS A 56 -7.187 3.645 -9.461 1.00 14.43 C ATOM 876 C LYS A 56 -8.449 3.311 -8.627 1.00 54.42 C ATOM 877 O LYS A 56 -9.565 3.739 -8.956 1.00 22.22 O ATOM 878 CB LYS A 56 -6.973 2.599 -10.589 1.00 32.42 C ATOM 879 CG LYS A 56 -6.935 1.122 -10.137 1.00 43.42 C ATOM 880 CD LYS A 56 -6.785 0.135 -11.309 1.00 31.21 C ATOM 881 CE LYS A 56 -8.003 0.123 -12.243 1.00 45.53 C ATOM 882 NZ LYS A 56 -9.254 -0.262 -11.529 1.00 70.31 N ATOM 0 H LYS A 56 -5.239 3.124 -8.829 1.00 74.52 H new ATOM 0 HA LYS A 56 -7.346 4.613 -9.937 1.00 14.43 H new ATOM 0 HB2 LYS A 56 -7.771 2.715 -11.322 1.00 32.42 H new ATOM 0 HB3 LYS A 56 -6.037 2.828 -11.098 1.00 32.42 H new ATOM 0 HG2 LYS A 56 -6.106 0.982 -9.443 1.00 43.42 H new ATOM 0 HG3 LYS A 56 -7.850 0.892 -9.591 1.00 43.42 H new ATOM 0 HD2 LYS A 56 -5.896 0.395 -11.884 1.00 31.21 H new ATOM 0 HD3 LYS A 56 -6.627 -0.868 -10.914 1.00 31.21 H new ATOM 0 HE2 LYS A 56 -8.129 1.111 -12.687 1.00 45.53 H new ATOM 0 HE3 LYS A 56 -7.824 -0.574 -13.062 1.00 45.53 H new ATOM 0 HZ1 LYS A 56 -10.009 -0.439 -12.222 1.00 70.31 H new ATOM 0 HZ2 LYS A 56 -9.085 -1.125 -10.973 1.00 70.31 H new ATOM 0 HZ3 LYS A 56 -9.542 0.509 -10.893 1.00 70.31 H new ATOM 896 N ALA A 57 -8.235 2.594 -7.504 1.00 12.33 N ATOM 897 CA ALA A 57 -9.305 2.176 -6.603 1.00 2.14 C ATOM 898 C ALA A 57 -9.728 3.310 -5.649 1.00 63.43 C ATOM 899 O ALA A 57 -10.917 3.447 -5.366 1.00 13.23 O ATOM 900 CB ALA A 57 -8.867 0.937 -5.827 1.00 61.13 C ATOM 0 H ALA A 57 -7.308 2.293 -7.204 1.00 12.33 H new ATOM 0 HA ALA A 57 -10.181 1.929 -7.203 1.00 2.14 H new ATOM 0 HB1 ALA A 57 -9.667 0.627 -5.155 1.00 61.13 H new ATOM 0 HB2 ALA A 57 -8.646 0.130 -6.525 1.00 61.13 H new ATOM 0 HB3 ALA A 57 -7.974 1.168 -5.246 1.00 61.13 H new ATOM 906 N LEU A 58 -8.756 4.134 -5.150 1.00 14.44 N ATOM 907 CA LEU A 58 -9.072 5.284 -4.249 1.00 72.43 C ATOM 908 C LEU A 58 -9.951 6.300 -5.018 1.00 73.31 C ATOM 909 O LEU A 58 -10.894 6.876 -4.461 1.00 14.31 O ATOM 910 CB LEU A 58 -7.791 6.046 -3.698 1.00 64.14 C ATOM 911 CG LEU A 58 -6.531 5.225 -3.100 1.00 44.25 C ATOM 912 CD1 LEU A 58 -5.415 6.118 -2.457 1.00 54.51 C ATOM 913 CD2 LEU A 58 -6.892 4.077 -2.108 1.00 63.23 C ATOM 0 H LEU A 58 -7.763 4.024 -5.354 1.00 14.44 H new ATOM 0 HA LEU A 58 -9.588 4.864 -3.386 1.00 72.43 H new ATOM 0 HB2 LEU A 58 -7.413 6.665 -4.511 1.00 64.14 H new ATOM 0 HB3 LEU A 58 -8.133 6.722 -2.915 1.00 64.14 H new ATOM 0 HG LEU A 58 -6.132 4.769 -4.006 1.00 44.25 H new ATOM 0 HD11 LEU A 58 -4.611 5.483 -2.083 1.00 54.51 H new ATOM 0 HD12 LEU A 58 -5.018 6.801 -3.208 1.00 54.51 H new ATOM 0 HD13 LEU A 58 -5.838 6.691 -1.632 1.00 54.51 H new ATOM 0 HD21 LEU A 58 -5.978 3.591 -1.766 1.00 63.23 H new ATOM 0 HD22 LEU A 58 -7.425 4.490 -1.252 1.00 63.23 H new ATOM 0 HD23 LEU A 58 -7.525 3.347 -2.612 1.00 63.23 H new ATOM 925 N ASP A 59 -9.625 6.475 -6.309 1.00 41.41 N ATOM 926 CA ASP A 59 -10.342 7.388 -7.224 1.00 65.34 C ATOM 927 C ASP A 59 -11.802 6.938 -7.440 1.00 33.54 C ATOM 928 O ASP A 59 -12.723 7.754 -7.416 1.00 64.44 O ATOM 929 CB ASP A 59 -9.605 7.463 -8.581 1.00 55.31 C ATOM 930 CG ASP A 59 -10.281 8.407 -9.597 1.00 24.04 C ATOM 931 OD1 ASP A 59 -10.077 9.638 -9.507 1.00 23.45 O ATOM 932 OD2 ASP A 59 -11.004 7.929 -10.493 1.00 64.21 O ATOM 0 H ASP A 59 -8.850 5.984 -6.754 1.00 41.41 H new ATOM 0 HA ASP A 59 -10.360 8.377 -6.766 1.00 65.34 H new ATOM 0 HB2 ASP A 59 -8.581 7.797 -8.412 1.00 55.31 H new ATOM 0 HB3 ASP A 59 -9.547 6.463 -9.010 1.00 55.31 H new ATOM 937 N ASN A 60 -11.998 5.630 -7.666 1.00 0.34 N ATOM 938 CA ASN A 60 -13.345 5.041 -7.811 1.00 54.11 C ATOM 939 C ASN A 60 -13.990 4.786 -6.430 1.00 71.41 C ATOM 940 O ASN A 60 -15.182 4.479 -6.357 1.00 53.25 O ATOM 941 CB ASN A 60 -13.295 3.737 -8.663 1.00 72.22 C ATOM 942 CG ASN A 60 -12.965 3.986 -10.139 1.00 0.21 C ATOM 943 OD1 ASN A 60 -12.236 4.916 -10.483 1.00 73.11 O ATOM 944 ND2 ASN A 60 -13.491 3.158 -11.024 1.00 74.02 N ATOM 0 H ASN A 60 -11.239 4.954 -7.753 1.00 0.34 H new ATOM 0 HA ASN A 60 -13.972 5.759 -8.341 1.00 54.11 H new ATOM 0 HB2 ASN A 60 -12.549 3.064 -8.240 1.00 72.22 H new ATOM 0 HB3 ASN A 60 -14.257 3.230 -8.594 1.00 72.22 H new ATOM 0 HD21 ASN A 60 -13.296 3.282 -12.017 1.00 74.02 H new ATOM 0 HD22 ASN A 60 -14.092 2.395 -10.714 1.00 74.02 H new ATOM 951 N SER A 61 -13.180 4.935 -5.350 1.00 24.14 N ATOM 952 CA SER A 61 -13.619 4.776 -3.952 1.00 74.12 C ATOM 953 C SER A 61 -14.175 3.367 -3.718 1.00 72.20 C ATOM 954 O SER A 61 -15.318 3.186 -3.285 1.00 5.14 O ATOM 955 CB SER A 61 -14.617 5.885 -3.536 1.00 61.34 C ATOM 956 OG SER A 61 -14.023 7.163 -3.640 1.00 30.35 O ATOM 0 H SER A 61 -12.192 5.172 -5.434 1.00 24.14 H new ATOM 0 HA SER A 61 -12.749 4.893 -3.305 1.00 74.12 H new ATOM 0 HB2 SER A 61 -15.503 5.839 -4.169 1.00 61.34 H new ATOM 0 HB3 SER A 61 -14.948 5.716 -2.511 1.00 61.34 H new ATOM 0 HG SER A 61 -13.079 7.066 -3.886 1.00 30.35 H new ATOM 962 N GLU A 62 -13.336 2.361 -4.008 1.00 13.25 N ATOM 963 CA GLU A 62 -13.683 0.937 -3.847 1.00 21.24 C ATOM 964 C GLU A 62 -13.395 0.442 -2.410 1.00 5.22 C ATOM 965 O GLU A 62 -12.922 -0.676 -2.203 1.00 30.42 O ATOM 966 CB GLU A 62 -12.936 0.111 -4.922 1.00 2.25 C ATOM 967 CG GLU A 62 -13.344 0.456 -6.378 1.00 15.21 C ATOM 968 CD GLU A 62 -14.855 0.326 -6.640 1.00 32.13 C ATOM 969 OE1 GLU A 62 -15.370 -0.813 -6.645 1.00 3.02 O ATOM 970 OE2 GLU A 62 -15.534 1.357 -6.861 1.00 4.42 O ATOM 0 H GLU A 62 -12.392 2.511 -4.363 1.00 13.25 H new ATOM 0 HA GLU A 62 -14.755 0.804 -3.995 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -11.864 0.271 -4.808 1.00 2.25 H new ATOM 0 HB3 GLU A 62 -13.121 -0.949 -4.745 1.00 2.25 H new ATOM 0 HG2 GLU A 62 -13.031 1.476 -6.603 1.00 15.21 H new ATOM 0 HG3 GLU A 62 -12.807 -0.201 -7.063 1.00 15.21 H new ATOM 977 N TYR A 63 -13.691 1.334 -1.450 1.00 24.40 N ATOM 978 CA TYR A 63 -13.832 1.057 -0.003 1.00 23.23 C ATOM 979 C TYR A 63 -12.486 0.958 0.730 1.00 54.52 C ATOM 980 O TYR A 63 -11.522 0.399 0.223 1.00 25.25 O ATOM 981 CB TYR A 63 -14.737 -0.179 0.290 1.00 63.15 C ATOM 982 CG TYR A 63 -16.227 0.041 -0.008 1.00 50.31 C ATOM 983 CD1 TYR A 63 -17.121 0.420 1.001 1.00 73.13 C ATOM 984 CD2 TYR A 63 -16.741 -0.125 -1.296 1.00 64.24 C ATOM 985 CE1 TYR A 63 -18.465 0.636 0.726 1.00 1.12 C ATOM 986 CE2 TYR A 63 -18.083 0.088 -1.571 1.00 12.21 C ATOM 987 CZ TYR A 63 -18.940 0.466 -0.557 1.00 11.11 C ATOM 988 OH TYR A 63 -20.279 0.687 -0.832 1.00 13.20 O ATOM 0 H TYR A 63 -13.847 2.318 -1.669 1.00 24.40 H new ATOM 0 HA TYR A 63 -14.342 1.930 0.404 1.00 23.23 H new ATOM 0 HB2 TYR A 63 -14.381 -1.023 -0.301 1.00 63.15 H new ATOM 0 HB3 TYR A 63 -14.626 -0.455 1.339 1.00 63.15 H new ATOM 0 HD1 TYR A 63 -16.759 0.547 2.011 1.00 73.13 H new ATOM 0 HD2 TYR A 63 -16.079 -0.426 -2.095 1.00 64.24 H new ATOM 0 HE1 TYR A 63 -19.137 0.937 1.516 1.00 1.12 H new ATOM 0 HE2 TYR A 63 -18.457 -0.041 -2.576 1.00 12.21 H new ATOM 0 HH TYR A 63 -20.449 0.524 -1.783 1.00 13.20 H new ATOM 998 N LEU A 64 -12.481 1.422 1.986 1.00 61.24 N ATOM 999 CA LEU A 64 -11.223 1.588 2.768 1.00 5.43 C ATOM 1000 C LEU A 64 -10.783 0.214 3.308 1.00 3.02 C ATOM 1001 O LEU A 64 -9.652 -0.192 3.048 1.00 14.34 O ATOM 1002 CB LEU A 64 -11.278 2.690 3.926 1.00 24.02 C ATOM 1003 CG LEU A 64 -10.700 4.144 3.685 1.00 0.20 C ATOM 1004 CD1 LEU A 64 -9.155 4.138 3.553 1.00 51.24 C ATOM 1005 CD2 LEU A 64 -11.364 4.941 2.523 1.00 13.03 C ATOM 0 H LEU A 64 -13.325 1.692 2.492 1.00 61.24 H new ATOM 0 HA LEU A 64 -10.478 1.983 2.077 1.00 5.43 H new ATOM 0 HB2 LEU A 64 -12.324 2.804 4.211 1.00 24.02 H new ATOM 0 HB3 LEU A 64 -10.755 2.276 4.788 1.00 24.02 H new ATOM 0 HG LEU A 64 -10.973 4.690 4.588 1.00 0.20 H new ATOM 0 HD11 LEU A 64 -8.800 5.155 3.389 1.00 51.24 H new ATOM 0 HD12 LEU A 64 -8.713 3.743 4.468 1.00 51.24 H new ATOM 0 HD13 LEU A 64 -8.864 3.512 2.710 1.00 51.24 H new ATOM 0 HD21 LEU A 64 -10.897 5.922 2.441 1.00 13.03 H new ATOM 0 HD22 LEU A 64 -11.232 4.398 1.587 1.00 13.03 H new ATOM 0 HD23 LEU A 64 -12.428 5.062 2.726 1.00 13.03 H new ATOM 1017 N PRO A 65 -11.665 -0.553 4.041 1.00 14.52 N ATOM 1018 CA PRO A 65 -11.346 -1.946 4.439 1.00 63.51 C ATOM 1019 C PRO A 65 -11.048 -2.866 3.245 1.00 53.24 C ATOM 1020 O PRO A 65 -10.305 -3.831 3.396 1.00 12.52 O ATOM 1021 CB PRO A 65 -12.616 -2.413 5.176 1.00 3.02 C ATOM 1022 CG PRO A 65 -13.696 -1.462 4.763 1.00 61.33 C ATOM 1023 CD PRO A 65 -13.003 -0.150 4.573 1.00 60.31 C ATOM 0 HA PRO A 65 -10.441 -1.986 5.046 1.00 63.51 H new ATOM 0 HB2 PRO A 65 -12.872 -3.437 4.905 1.00 3.02 H new ATOM 0 HB3 PRO A 65 -12.471 -2.396 6.256 1.00 3.02 H new ATOM 0 HG2 PRO A 65 -14.180 -1.790 3.843 1.00 61.33 H new ATOM 0 HG3 PRO A 65 -14.473 -1.392 5.524 1.00 61.33 H new ATOM 0 HD2 PRO A 65 -13.539 0.492 3.874 1.00 60.31 H new ATOM 0 HD3 PRO A 65 -12.916 0.400 5.510 1.00 60.31 H new ATOM 1031 N LYS A 66 -11.630 -2.555 2.064 1.00 34.54 N ATOM 1032 CA LYS A 66 -11.465 -3.392 0.869 1.00 44.24 C ATOM 1033 C LYS A 66 -10.054 -3.212 0.289 1.00 45.24 C ATOM 1034 O LYS A 66 -9.406 -4.191 -0.061 1.00 32.42 O ATOM 1035 CB LYS A 66 -12.554 -3.094 -0.204 1.00 43.40 C ATOM 1036 CG LYS A 66 -12.365 -3.844 -1.549 1.00 52.01 C ATOM 1037 CD LYS A 66 -12.370 -5.385 -1.392 1.00 41.34 C ATOM 1038 CE LYS A 66 -11.935 -6.112 -2.671 1.00 51.33 C ATOM 1039 NZ LYS A 66 -11.931 -7.596 -2.492 1.00 52.54 N ATOM 0 H LYS A 66 -12.215 -1.732 1.920 1.00 34.54 H new ATOM 0 HA LYS A 66 -11.592 -4.432 1.168 1.00 44.24 H new ATOM 0 HB2 LYS A 66 -13.530 -3.354 0.207 1.00 43.40 H new ATOM 0 HB3 LYS A 66 -12.566 -2.022 -0.401 1.00 43.40 H new ATOM 0 HG2 LYS A 66 -13.160 -3.552 -2.235 1.00 52.01 H new ATOM 0 HG3 LYS A 66 -11.423 -3.534 -2.002 1.00 52.01 H new ATOM 0 HD2 LYS A 66 -11.704 -5.665 -0.576 1.00 41.34 H new ATOM 0 HD3 LYS A 66 -13.371 -5.715 -1.114 1.00 41.34 H new ATOM 0 HE2 LYS A 66 -12.607 -5.846 -3.487 1.00 51.33 H new ATOM 0 HE3 LYS A 66 -10.938 -5.778 -2.958 1.00 51.33 H new ATOM 0 HZ1 LYS A 66 -11.632 -8.052 -3.378 1.00 52.54 H new ATOM 0 HZ2 LYS A 66 -11.271 -7.852 -1.731 1.00 52.54 H new ATOM 0 HZ3 LYS A 66 -12.888 -7.918 -2.243 1.00 52.54 H new ATOM 1053 N ILE A 67 -9.580 -1.956 0.225 1.00 24.22 N ATOM 1054 CA ILE A 67 -8.251 -1.624 -0.317 1.00 10.20 C ATOM 1055 C ILE A 67 -7.148 -1.934 0.706 1.00 65.02 C ATOM 1056 O ILE A 67 -6.019 -2.240 0.329 1.00 25.52 O ATOM 1057 CB ILE A 67 -8.211 -0.122 -0.793 1.00 61.33 C ATOM 1058 CG1 ILE A 67 -9.328 0.084 -1.859 1.00 42.20 C ATOM 1059 CG2 ILE A 67 -6.821 0.279 -1.355 1.00 45.44 C ATOM 1060 CD1 ILE A 67 -9.503 1.495 -2.379 1.00 11.23 C ATOM 0 H ILE A 67 -10.106 -1.144 0.547 1.00 24.22 H new ATOM 0 HA ILE A 67 -8.062 -2.250 -1.189 1.00 10.20 H new ATOM 0 HB ILE A 67 -8.388 0.526 0.065 1.00 61.33 H new ATOM 0 HG12 ILE A 67 -9.118 -0.570 -2.706 1.00 42.20 H new ATOM 0 HG13 ILE A 67 -10.275 -0.243 -1.430 1.00 42.20 H new ATOM 0 HG21 ILE A 67 -6.843 1.322 -1.670 1.00 45.44 H new ATOM 0 HG22 ILE A 67 -6.064 0.149 -0.581 1.00 45.44 H new ATOM 0 HG23 ILE A 67 -6.578 -0.353 -2.209 1.00 45.44 H new ATOM 0 HD11 ILE A 67 -10.308 1.515 -3.114 1.00 11.23 H new ATOM 0 HD12 ILE A 67 -9.751 2.160 -1.551 1.00 11.23 H new ATOM 0 HD13 ILE A 67 -8.576 1.828 -2.846 1.00 11.23 H new ATOM 1072 N ILE A 68 -7.500 -1.903 2.007 1.00 52.35 N ATOM 1073 CA ILE A 68 -6.584 -2.300 3.086 1.00 33.22 C ATOM 1074 C ILE A 68 -6.398 -3.831 3.054 1.00 60.24 C ATOM 1075 O ILE A 68 -5.271 -4.320 3.151 1.00 71.30 O ATOM 1076 CB ILE A 68 -7.077 -1.802 4.503 1.00 65.35 C ATOM 1077 CG1 ILE A 68 -6.936 -0.244 4.612 1.00 41.02 C ATOM 1078 CG2 ILE A 68 -6.323 -2.518 5.651 1.00 44.34 C ATOM 1079 CD1 ILE A 68 -7.555 0.370 5.853 1.00 25.23 C ATOM 0 H ILE A 68 -8.419 -1.605 2.333 1.00 52.35 H new ATOM 0 HA ILE A 68 -5.621 -1.818 2.918 1.00 33.22 H new ATOM 0 HB ILE A 68 -8.131 -2.059 4.605 1.00 65.35 H new ATOM 0 HG12 ILE A 68 -5.877 0.013 4.588 1.00 41.02 H new ATOM 0 HG13 ILE A 68 -7.394 0.210 3.733 1.00 41.02 H new ATOM 0 HG21 ILE A 68 -6.688 -2.151 6.610 1.00 44.34 H new ATOM 0 HG22 ILE A 68 -6.495 -3.592 5.585 1.00 44.34 H new ATOM 0 HG23 ILE A 68 -5.255 -2.315 5.567 1.00 44.34 H new ATOM 0 HD11 ILE A 68 -7.406 1.450 5.838 1.00 25.23 H new ATOM 0 HD12 ILE A 68 -8.623 0.151 5.873 1.00 25.23 H new ATOM 0 HD13 ILE A 68 -7.082 -0.049 6.741 1.00 25.23 H new ATOM 1091 N LEU A 69 -7.520 -4.569 2.852 1.00 31.22 N ATOM 1092 CA LEU A 69 -7.500 -6.049 2.732 1.00 14.13 C ATOM 1093 C LEU A 69 -6.746 -6.452 1.460 1.00 3.13 C ATOM 1094 O LEU A 69 -5.859 -7.286 1.515 1.00 22.34 O ATOM 1095 CB LEU A 69 -8.937 -6.695 2.721 1.00 24.55 C ATOM 1096 CG LEU A 69 -9.627 -6.988 4.134 1.00 10.52 C ATOM 1097 CD1 LEU A 69 -10.941 -7.831 4.038 1.00 30.45 C ATOM 1098 CD2 LEU A 69 -8.646 -7.642 5.140 1.00 50.23 C ATOM 0 H LEU A 69 -8.451 -4.161 2.769 1.00 31.22 H new ATOM 0 HA LEU A 69 -6.992 -6.428 3.618 1.00 14.13 H new ATOM 0 HB2 LEU A 69 -9.597 -6.038 2.155 1.00 24.55 H new ATOM 0 HB3 LEU A 69 -8.878 -7.636 2.174 1.00 24.55 H new ATOM 0 HG LEU A 69 -9.911 -6.004 4.508 1.00 10.52 H new ATOM 0 HD11 LEU A 69 -11.347 -7.986 5.037 1.00 30.45 H new ATOM 0 HD12 LEU A 69 -11.671 -7.299 3.428 1.00 30.45 H new ATOM 0 HD13 LEU A 69 -10.722 -8.796 3.581 1.00 30.45 H new ATOM 0 HD21 LEU A 69 -9.160 -7.822 6.084 1.00 50.23 H new ATOM 0 HD22 LEU A 69 -8.288 -8.589 4.736 1.00 50.23 H new ATOM 0 HD23 LEU A 69 -7.800 -6.976 5.308 1.00 50.23 H new ATOM 1110 N ASN A 70 -7.098 -5.810 0.339 1.00 3.20 N ATOM 1111 CA ASN A 70 -6.575 -6.150 -0.997 1.00 22.15 C ATOM 1112 C ASN A 70 -5.075 -5.824 -1.103 1.00 14.43 C ATOM 1113 O ASN A 70 -4.317 -6.579 -1.721 1.00 73.44 O ATOM 1114 CB ASN A 70 -7.424 -5.433 -2.088 1.00 73.02 C ATOM 1115 CG ASN A 70 -6.972 -5.699 -3.524 1.00 43.11 C ATOM 1116 OD1 ASN A 70 -7.326 -6.713 -4.120 1.00 10.11 O ATOM 1117 ND2 ASN A 70 -6.227 -4.776 -4.094 1.00 74.13 N ATOM 0 H ASN A 70 -7.759 -5.033 0.330 1.00 3.20 H new ATOM 0 HA ASN A 70 -6.664 -7.224 -1.160 1.00 22.15 H new ATOM 0 HB2 ASN A 70 -8.463 -5.745 -1.984 1.00 73.02 H new ATOM 0 HB3 ASN A 70 -7.394 -4.359 -1.905 1.00 73.02 H new ATOM 0 HD21 ASN A 70 -5.925 -4.890 -5.061 1.00 74.13 H new ATOM 0 HD22 ASN A 70 -5.952 -3.946 -3.568 1.00 74.13 H new ATOM 1124 N LEU A 71 -4.637 -4.728 -0.449 1.00 4.04 N ATOM 1125 CA LEU A 71 -3.209 -4.372 -0.387 1.00 74.34 C ATOM 1126 C LEU A 71 -2.485 -5.341 0.567 1.00 14.24 C ATOM 1127 O LEU A 71 -1.366 -5.749 0.309 1.00 2.03 O ATOM 1128 CB LEU A 71 -3.013 -2.899 0.073 1.00 65.15 C ATOM 1129 CG LEU A 71 -1.542 -2.335 0.113 1.00 52.11 C ATOM 1130 CD1 LEU A 71 -0.941 -2.123 -1.299 1.00 21.14 C ATOM 1131 CD2 LEU A 71 -1.465 -1.033 0.951 1.00 23.30 C ATOM 0 H LEU A 71 -5.251 -4.078 0.041 1.00 4.04 H new ATOM 0 HA LEU A 71 -2.782 -4.459 -1.386 1.00 74.34 H new ATOM 0 HB2 LEU A 71 -3.599 -2.260 -0.587 1.00 65.15 H new ATOM 0 HB3 LEU A 71 -3.438 -2.800 1.072 1.00 65.15 H new ATOM 0 HG LEU A 71 -0.932 -3.096 0.600 1.00 52.11 H new ATOM 0 HD11 LEU A 71 0.073 -1.733 -1.208 1.00 21.14 H new ATOM 0 HD12 LEU A 71 -0.918 -3.074 -1.831 1.00 21.14 H new ATOM 0 HD13 LEU A 71 -1.555 -1.412 -1.853 1.00 21.14 H new ATOM 0 HD21 LEU A 71 -0.438 -0.667 0.961 1.00 23.30 H new ATOM 0 HD22 LEU A 71 -2.115 -0.278 0.510 1.00 23.30 H new ATOM 0 HD23 LEU A 71 -1.787 -1.238 1.972 1.00 23.30 H new ATOM 1143 N ARG A 72 -3.178 -5.750 1.647 1.00 11.14 N ATOM 1144 CA ARG A 72 -2.641 -6.735 2.621 1.00 4.22 C ATOM 1145 C ARG A 72 -2.606 -8.150 1.987 1.00 51.55 C ATOM 1146 O ARG A 72 -1.818 -8.992 2.381 1.00 13.52 O ATOM 1147 CB ARG A 72 -3.464 -6.717 3.961 1.00 64.14 C ATOM 1148 CG ARG A 72 -2.853 -7.541 5.105 1.00 54.15 C ATOM 1149 CD ARG A 72 -3.774 -7.625 6.332 1.00 3.43 C ATOM 1150 NE ARG A 72 -4.964 -8.447 6.087 1.00 51.33 N ATOM 1151 CZ ARG A 72 -5.784 -8.916 7.037 1.00 21.21 C ATOM 1152 NH1 ARG A 72 -5.583 -8.639 8.324 1.00 22.31 N ATOM 1153 NH2 ARG A 72 -6.787 -9.701 6.694 1.00 62.11 N ATOM 0 H ARG A 72 -4.115 -5.415 1.872 1.00 11.14 H new ATOM 0 HA ARG A 72 -1.619 -6.453 2.873 1.00 4.22 H new ATOM 0 HB2 ARG A 72 -3.569 -5.684 4.292 1.00 64.14 H new ATOM 0 HB3 ARG A 72 -4.468 -7.091 3.759 1.00 64.14 H new ATOM 0 HG2 ARG A 72 -2.638 -8.548 4.747 1.00 54.15 H new ATOM 0 HG3 ARG A 72 -1.902 -7.097 5.399 1.00 54.15 H new ATOM 0 HD2 ARG A 72 -3.217 -8.039 7.172 1.00 3.43 H new ATOM 0 HD3 ARG A 72 -4.084 -6.620 6.619 1.00 3.43 H new ATOM 0 HE ARG A 72 -5.184 -8.679 5.119 1.00 51.33 H new ATOM 0 HH11 ARG A 72 -4.792 -8.059 8.603 1.00 22.31 H new ATOM 0 HH12 ARG A 72 -6.220 -9.007 9.030 1.00 22.31 H new ATOM 0 HH21 ARG A 72 -6.932 -9.945 5.714 1.00 62.11 H new ATOM 0 HH22 ARG A 72 -7.418 -10.064 7.409 1.00 62.11 H new ATOM 1167 N LYS A 73 -3.452 -8.389 0.959 1.00 61.53 N ATOM 1168 CA LYS A 73 -3.446 -9.643 0.182 1.00 4.15 C ATOM 1169 C LYS A 73 -2.422 -9.548 -0.955 1.00 54.35 C ATOM 1170 O LYS A 73 -2.007 -10.562 -1.517 1.00 15.45 O ATOM 1171 CB LYS A 73 -4.869 -9.945 -0.367 1.00 13.21 C ATOM 1172 CG LYS A 73 -5.895 -10.265 0.739 1.00 63.41 C ATOM 1173 CD LYS A 73 -7.347 -10.396 0.232 1.00 2.42 C ATOM 1174 CE LYS A 73 -8.339 -10.595 1.388 1.00 55.43 C ATOM 1175 NZ LYS A 73 -8.002 -11.781 2.226 1.00 70.54 N ATOM 0 H LYS A 73 -4.155 -7.718 0.648 1.00 61.53 H new ATOM 0 HA LYS A 73 -3.157 -10.467 0.834 1.00 4.15 H new ATOM 0 HB2 LYS A 73 -5.219 -9.087 -0.940 1.00 13.21 H new ATOM 0 HB3 LYS A 73 -4.814 -10.788 -1.056 1.00 13.21 H new ATOM 0 HG2 LYS A 73 -5.607 -11.195 1.229 1.00 63.41 H new ATOM 0 HG3 LYS A 73 -5.855 -9.481 1.495 1.00 63.41 H new ATOM 0 HD2 LYS A 73 -7.618 -9.502 -0.330 1.00 2.42 H new ATOM 0 HD3 LYS A 73 -7.417 -11.238 -0.456 1.00 2.42 H new ATOM 0 HE2 LYS A 73 -8.348 -9.702 2.013 1.00 55.43 H new ATOM 0 HE3 LYS A 73 -9.345 -10.712 0.984 1.00 55.43 H new ATOM 0 HZ1 LYS A 73 -8.769 -11.954 2.907 1.00 70.54 H new ATOM 0 HZ2 LYS A 73 -7.885 -12.615 1.616 1.00 70.54 H new ATOM 0 HZ3 LYS A 73 -7.116 -11.602 2.741 1.00 70.54 H new ATOM 1189 N ALA A 74 -2.058 -8.306 -1.299 1.00 1.30 N ATOM 1190 CA ALA A 74 -0.999 -8.008 -2.265 1.00 4.34 C ATOM 1191 C ALA A 74 0.393 -7.946 -1.598 1.00 71.22 C ATOM 1192 O ALA A 74 1.386 -8.087 -2.299 1.00 51.45 O ATOM 1193 CB ALA A 74 -1.320 -6.696 -2.998 1.00 41.04 C ATOM 0 H ALA A 74 -2.497 -7.472 -0.909 1.00 1.30 H new ATOM 0 HA ALA A 74 -0.962 -8.822 -2.989 1.00 4.34 H new ATOM 0 HB1 ALA A 74 -0.530 -6.478 -3.716 1.00 41.04 H new ATOM 0 HB2 ALA A 74 -2.270 -6.796 -3.523 1.00 41.04 H new ATOM 0 HB3 ALA A 74 -1.389 -5.883 -2.275 1.00 41.04 H new ATOM 1199 N LEU A 75 0.483 -7.723 -0.255 1.00 71.31 N ATOM 1200 CA LEU A 75 1.807 -7.612 0.434 1.00 41.11 C ATOM 1201 C LEU A 75 2.106 -8.785 1.405 1.00 10.23 C ATOM 1202 O LEU A 75 3.272 -9.204 1.491 1.00 1.52 O ATOM 1203 CB LEU A 75 1.981 -6.236 1.180 1.00 62.32 C ATOM 1204 CG LEU A 75 1.630 -4.902 0.413 1.00 53.42 C ATOM 1205 CD1 LEU A 75 1.997 -3.647 1.243 1.00 2.23 C ATOM 1206 CD2 LEU A 75 2.242 -4.828 -1.007 1.00 12.11 C ATOM 0 H LEU A 75 -0.323 -7.618 0.361 1.00 71.31 H new ATOM 0 HA LEU A 75 2.540 -7.667 -0.371 1.00 41.11 H new ATOM 0 HB2 LEU A 75 1.367 -6.270 2.080 1.00 62.32 H new ATOM 0 HB3 LEU A 75 3.019 -6.166 1.504 1.00 62.32 H new ATOM 0 HG LEU A 75 0.548 -4.918 0.281 1.00 53.42 H new ATOM 0 HD11 LEU A 75 1.740 -2.750 0.680 1.00 2.23 H new ATOM 0 HD12 LEU A 75 1.443 -3.657 2.182 1.00 2.23 H new ATOM 0 HD13 LEU A 75 3.067 -3.649 1.452 1.00 2.23 H new ATOM 0 HD21 LEU A 75 1.960 -3.885 -1.476 1.00 12.11 H new ATOM 0 HD22 LEU A 75 3.328 -4.889 -0.939 1.00 12.11 H new ATOM 0 HD23 LEU A 75 1.869 -5.658 -1.608 1.00 12.11 H new ATOM 1218 N THR A 76 1.091 -9.322 2.134 1.00 12.31 N ATOM 1219 CA THR A 76 1.337 -10.383 3.147 1.00 12.43 C ATOM 1220 C THR A 76 1.906 -11.695 2.516 1.00 22.10 C ATOM 1221 O THR A 76 2.926 -12.173 3.014 1.00 23.24 O ATOM 1222 CB THR A 76 0.089 -10.674 4.070 1.00 64.00 C ATOM 1223 OG1 THR A 76 -0.196 -9.527 4.869 1.00 14.43 O ATOM 1224 CG2 THR A 76 0.273 -11.901 4.987 1.00 31.41 C ATOM 0 H THR A 76 0.114 -9.044 2.042 1.00 12.31 H new ATOM 0 HA THR A 76 2.110 -9.978 3.800 1.00 12.43 H new ATOM 0 HB THR A 76 -0.742 -10.900 3.402 1.00 64.00 H new ATOM 0 HG1 THR A 76 -0.863 -9.759 5.548 1.00 14.43 H new ATOM 0 HG21 THR A 76 -0.623 -12.041 5.592 1.00 31.41 H new ATOM 0 HG22 THR A 76 0.441 -12.789 4.377 1.00 31.41 H new ATOM 0 HG23 THR A 76 1.131 -11.742 5.640 1.00 31.41 H new ATOM 1232 N PRO A 77 1.319 -12.307 1.409 1.00 1.32 N ATOM 1233 CA PRO A 77 1.915 -13.532 0.794 1.00 75.04 C ATOM 1234 C PRO A 77 3.343 -13.309 0.238 1.00 45.12 C ATOM 1235 O PRO A 77 4.173 -14.231 0.266 1.00 31.21 O ATOM 1236 CB PRO A 77 0.920 -13.911 -0.332 1.00 2.31 C ATOM 1237 CG PRO A 77 -0.355 -13.242 0.056 1.00 50.33 C ATOM 1238 CD PRO A 77 0.064 -11.933 0.690 1.00 42.31 C ATOM 0 HA PRO A 77 2.045 -14.321 1.534 1.00 75.04 H new ATOM 0 HB2 PRO A 77 1.270 -13.565 -1.304 1.00 2.31 H new ATOM 0 HB3 PRO A 77 0.795 -14.991 -0.405 1.00 2.31 H new ATOM 0 HG2 PRO A 77 -0.992 -13.073 -0.812 1.00 50.33 H new ATOM 0 HG3 PRO A 77 -0.925 -13.854 0.755 1.00 50.33 H new ATOM 0 HD2 PRO A 77 0.240 -11.159 -0.057 1.00 42.31 H new ATOM 0 HD3 PRO A 77 -0.696 -11.551 1.372 1.00 42.31 H new ATOM 1246 N LEU A 78 3.621 -12.077 -0.256 1.00 43.52 N ATOM 1247 CA LEU A 78 4.976 -11.703 -0.748 1.00 23.14 C ATOM 1248 C LEU A 78 5.971 -11.594 0.430 1.00 34.30 C ATOM 1249 O LEU A 78 7.169 -11.886 0.276 1.00 25.31 O ATOM 1250 CB LEU A 78 4.988 -10.364 -1.578 1.00 30.02 C ATOM 1251 CG LEU A 78 3.947 -10.212 -2.762 1.00 64.22 C ATOM 1252 CD1 LEU A 78 4.145 -8.898 -3.564 1.00 1.34 C ATOM 1253 CD2 LEU A 78 3.943 -11.416 -3.739 1.00 23.14 C ATOM 0 H LEU A 78 2.932 -11.328 -0.325 1.00 43.52 H new ATOM 0 HA LEU A 78 5.284 -12.502 -1.423 1.00 23.14 H new ATOM 0 HB2 LEU A 78 4.826 -9.540 -0.884 1.00 30.02 H new ATOM 0 HB3 LEU A 78 5.987 -10.239 -1.994 1.00 30.02 H new ATOM 0 HG LEU A 78 2.977 -10.180 -2.267 1.00 64.22 H new ATOM 0 HD11 LEU A 78 3.406 -8.845 -4.363 1.00 1.34 H new ATOM 0 HD12 LEU A 78 4.022 -8.044 -2.898 1.00 1.34 H new ATOM 0 HD13 LEU A 78 5.146 -8.882 -3.994 1.00 1.34 H new ATOM 0 HD21 LEU A 78 3.207 -11.245 -4.525 1.00 23.14 H new ATOM 0 HD22 LEU A 78 4.931 -11.526 -4.185 1.00 23.14 H new ATOM 0 HD23 LEU A 78 3.688 -12.325 -3.195 1.00 23.14 H new ATOM 1265 N ALA A 79 5.460 -11.178 1.603 1.00 54.52 N ATOM 1266 CA ALA A 79 6.246 -11.082 2.842 1.00 43.54 C ATOM 1267 C ALA A 79 6.589 -12.484 3.381 1.00 10.43 C ATOM 1268 O ALA A 79 7.747 -12.759 3.713 1.00 44.22 O ATOM 1269 CB ALA A 79 5.481 -10.259 3.887 1.00 54.44 C ATOM 0 H ALA A 79 4.486 -10.898 1.716 1.00 54.52 H new ATOM 0 HA ALA A 79 7.185 -10.573 2.624 1.00 43.54 H new ATOM 0 HB1 ALA A 79 6.071 -10.193 4.801 1.00 54.44 H new ATOM 0 HB2 ALA A 79 5.300 -9.257 3.499 1.00 54.44 H new ATOM 0 HB3 ALA A 79 4.528 -10.742 4.104 1.00 54.44 H new ATOM 1275 N ILE A 80 5.574 -13.375 3.396 1.00 44.54 N ATOM 1276 CA ILE A 80 5.697 -14.760 3.908 1.00 64.11 C ATOM 1277 C ILE A 80 6.691 -15.564 3.046 1.00 4.44 C ATOM 1278 O ILE A 80 7.526 -16.316 3.565 1.00 32.34 O ATOM 1279 CB ILE A 80 4.287 -15.486 3.959 1.00 70.12 C ATOM 1280 CG1 ILE A 80 3.284 -14.708 4.888 1.00 41.33 C ATOM 1281 CG2 ILE A 80 4.426 -16.963 4.406 1.00 50.44 C ATOM 1282 CD1 ILE A 80 1.890 -15.316 4.983 1.00 43.15 C ATOM 0 H ILE A 80 4.640 -13.153 3.051 1.00 44.54 H new ATOM 0 HA ILE A 80 6.079 -14.708 4.928 1.00 64.11 H new ATOM 0 HB ILE A 80 3.880 -15.485 2.948 1.00 70.12 H new ATOM 0 HG12 ILE A 80 3.709 -14.653 5.890 1.00 41.33 H new ATOM 0 HG13 ILE A 80 3.194 -13.685 4.523 1.00 41.33 H new ATOM 0 HG21 ILE A 80 3.441 -17.430 4.430 1.00 50.44 H new ATOM 0 HG22 ILE A 80 5.064 -17.498 3.702 1.00 50.44 H new ATOM 0 HG23 ILE A 80 4.870 -17.002 5.401 1.00 50.44 H new ATOM 0 HD11 ILE A 80 1.273 -14.709 5.645 1.00 43.15 H new ATOM 0 HD12 ILE A 80 1.438 -15.346 3.992 1.00 43.15 H new ATOM 0 HD13 ILE A 80 1.961 -16.329 5.380 1.00 43.15 H new ATOM 1294 N ASN A 81 6.602 -15.369 1.725 1.00 4.12 N ATOM 1295 CA ASN A 81 7.535 -15.978 0.758 1.00 13.04 C ATOM 1296 C ASN A 81 8.884 -15.217 0.703 1.00 1.21 C ATOM 1297 O ASN A 81 9.812 -15.684 0.044 1.00 2.03 O ATOM 1298 CB ASN A 81 6.873 -16.074 -0.637 1.00 4.02 C ATOM 1299 CG ASN A 81 5.768 -17.139 -0.711 1.00 54.42 C ATOM 1300 OD1 ASN A 81 5.886 -18.215 -0.146 1.00 60.31 O ATOM 1301 ND2 ASN A 81 4.683 -16.836 -1.395 1.00 71.31 N ATOM 0 H ASN A 81 5.885 -14.787 1.293 1.00 4.12 H new ATOM 0 HA ASN A 81 7.763 -16.989 1.096 1.00 13.04 H new ATOM 0 HB2 ASN A 81 6.451 -15.104 -0.899 1.00 4.02 H new ATOM 0 HB3 ASN A 81 7.638 -16.301 -1.380 1.00 4.02 H new ATOM 0 HD21 ASN A 81 3.918 -17.507 -1.461 1.00 71.31 H new ATOM 0 HD22 ASN A 81 4.608 -15.930 -1.858 1.00 71.31 H new ATOM 1308 N ARG A 82 8.971 -14.045 1.389 1.00 12.14 N ATOM 1309 CA ARG A 82 10.264 -13.340 1.682 1.00 54.40 C ATOM 1310 C ARG A 82 10.925 -12.776 0.385 1.00 75.21 C ATOM 1311 O ARG A 82 12.162 -12.781 0.258 1.00 61.31 O ATOM 1312 CB ARG A 82 11.299 -14.292 2.434 1.00 24.22 C ATOM 1313 CG ARG A 82 10.859 -15.087 3.729 1.00 42.24 C ATOM 1314 CD ARG A 82 11.213 -14.448 5.111 1.00 74.33 C ATOM 1315 NE ARG A 82 11.286 -15.480 6.163 1.00 32.35 N ATOM 1316 CZ ARG A 82 11.905 -15.348 7.344 1.00 33.14 C ATOM 1317 NH1 ARG A 82 12.517 -14.214 7.696 1.00 74.23 N ATOM 1318 NH2 ARG A 82 11.948 -16.379 8.169 1.00 2.10 N ATOM 0 H ARG A 82 8.153 -13.558 1.756 1.00 12.14 H new ATOM 0 HA ARG A 82 10.014 -12.506 2.338 1.00 54.40 H new ATOM 0 HB2 ARG A 82 11.648 -15.026 1.708 1.00 24.22 H new ATOM 0 HB3 ARG A 82 12.159 -13.681 2.708 1.00 24.22 H new ATOM 0 HG2 ARG A 82 9.779 -15.229 3.688 1.00 42.24 H new ATOM 0 HG3 ARG A 82 11.312 -16.078 3.688 1.00 42.24 H new ATOM 0 HD2 ARG A 82 12.167 -13.925 5.041 1.00 74.33 H new ATOM 0 HD3 ARG A 82 10.461 -13.705 5.376 1.00 74.33 H new ATOM 0 HE ARG A 82 10.826 -16.371 5.975 1.00 32.35 H new ATOM 0 HH11 ARG A 82 12.522 -13.418 7.058 1.00 74.23 H new ATOM 0 HH12 ARG A 82 12.980 -14.144 8.602 1.00 74.23 H new ATOM 0 HH21 ARG A 82 11.513 -17.263 7.904 1.00 2.10 H new ATOM 0 HH22 ARG A 82 12.416 -16.291 9.071 1.00 2.10 H new ATOM 1332 N THR A 83 10.116 -12.242 -0.549 1.00 12.03 N ATOM 1333 CA THR A 83 10.630 -11.665 -1.818 1.00 75.04 C ATOM 1334 C THR A 83 10.103 -10.226 -2.027 1.00 70.43 C ATOM 1335 O THR A 83 10.197 -9.669 -3.130 1.00 54.43 O ATOM 1336 CB THR A 83 10.286 -12.596 -3.043 1.00 34.13 C ATOM 1337 OG1 THR A 83 10.974 -12.174 -4.242 1.00 1.50 O ATOM 1338 CG2 THR A 83 8.784 -12.646 -3.328 1.00 51.54 C ATOM 0 H THR A 83 9.102 -12.195 -0.454 1.00 12.03 H new ATOM 0 HA THR A 83 11.716 -11.607 -1.748 1.00 75.04 H new ATOM 0 HB THR A 83 10.624 -13.594 -2.763 1.00 34.13 H new ATOM 0 HG1 THR A 83 10.974 -11.195 -4.292 1.00 1.50 H new ATOM 0 HG21 THR A 83 8.597 -13.300 -4.180 1.00 51.54 H new ATOM 0 HG22 THR A 83 8.260 -13.031 -2.453 1.00 51.54 H new ATOM 0 HG23 THR A 83 8.423 -11.643 -3.554 1.00 51.54 H new ATOM 1346 N LEU A 84 9.562 -9.621 -0.954 1.00 42.44 N ATOM 1347 CA LEU A 84 9.137 -8.207 -0.960 1.00 14.15 C ATOM 1348 C LEU A 84 10.364 -7.305 -0.700 1.00 34.30 C ATOM 1349 O LEU A 84 11.361 -7.759 -0.123 1.00 51.41 O ATOM 1350 CB LEU A 84 8.040 -7.991 0.130 1.00 45.12 C ATOM 1351 CG LEU A 84 7.309 -6.600 0.189 1.00 2.11 C ATOM 1352 CD1 LEU A 84 6.239 -6.451 -0.912 1.00 74.02 C ATOM 1353 CD2 LEU A 84 6.694 -6.354 1.586 1.00 34.42 C ATOM 0 H LEU A 84 9.407 -10.094 -0.063 1.00 42.44 H new ATOM 0 HA LEU A 84 8.714 -7.945 -1.930 1.00 14.15 H new ATOM 0 HB2 LEU A 84 7.280 -8.760 -0.007 1.00 45.12 H new ATOM 0 HB3 LEU A 84 8.499 -8.166 1.103 1.00 45.12 H new ATOM 0 HG LEU A 84 8.067 -5.839 0.005 1.00 2.11 H new ATOM 0 HD11 LEU A 84 5.764 -5.474 -0.828 1.00 74.02 H new ATOM 0 HD12 LEU A 84 6.709 -6.543 -1.891 1.00 74.02 H new ATOM 0 HD13 LEU A 84 5.487 -7.231 -0.796 1.00 74.02 H new ATOM 0 HD21 LEU A 84 6.195 -5.385 1.598 1.00 34.42 H new ATOM 0 HD22 LEU A 84 5.970 -7.138 1.808 1.00 34.42 H new ATOM 0 HD23 LEU A 84 7.483 -6.365 2.338 1.00 34.42 H new ATOM 1365 N ASN A 85 10.278 -6.028 -1.110 1.00 10.13 N ATOM 1366 CA ASN A 85 11.397 -5.049 -0.960 1.00 50.11 C ATOM 1367 C ASN A 85 11.563 -4.644 0.518 1.00 4.24 C ATOM 1368 O ASN A 85 12.678 -4.341 0.958 1.00 40.53 O ATOM 1369 CB ASN A 85 11.212 -3.779 -1.862 1.00 63.33 C ATOM 1370 CG ASN A 85 12.390 -2.787 -1.802 1.00 13.55 C ATOM 1371 OD1 ASN A 85 13.533 -3.159 -1.540 1.00 45.34 O ATOM 1372 ND2 ASN A 85 12.127 -1.524 -2.088 1.00 13.22 N ATOM 0 H ASN A 85 9.446 -5.637 -1.551 1.00 10.13 H new ATOM 0 HA ASN A 85 12.305 -5.548 -1.299 1.00 50.11 H new ATOM 0 HB2 ASN A 85 11.072 -4.098 -2.895 1.00 63.33 H new ATOM 0 HB3 ASN A 85 10.301 -3.263 -1.561 1.00 63.33 H new ATOM 0 HD21 ASN A 85 12.879 -0.835 -2.095 1.00 13.22 H new ATOM 0 HD22 ASN A 85 11.172 -1.238 -2.302 1.00 13.22 H new ATOM 1379 N HIS A 86 10.427 -4.606 1.261 1.00 54.34 N ATOM 1380 CA HIS A 86 10.392 -4.350 2.730 1.00 2.41 C ATOM 1381 C HIS A 86 10.740 -2.873 3.079 1.00 52.33 C ATOM 1382 O HIS A 86 10.676 -2.469 4.238 1.00 23.03 O ATOM 1383 CB HIS A 86 11.306 -5.389 3.473 1.00 50.32 C ATOM 1384 CG HIS A 86 11.486 -5.195 4.960 1.00 2.04 C ATOM 1385 ND1 HIS A 86 10.548 -5.569 5.900 1.00 22.33 N ATOM 1386 CD2 HIS A 86 12.524 -4.673 5.669 1.00 73.44 C ATOM 1387 CE1 HIS A 86 11.000 -5.288 7.107 1.00 72.12 C ATOM 1388 NE2 HIS A 86 12.195 -4.746 6.995 1.00 30.43 N ATOM 0 H HIS A 86 9.502 -4.753 0.858 1.00 54.34 H new ATOM 0 HA HIS A 86 9.371 -4.492 3.084 1.00 2.41 H new ATOM 0 HB2 HIS A 86 10.893 -6.384 3.308 1.00 50.32 H new ATOM 0 HB3 HIS A 86 12.291 -5.371 3.006 1.00 50.32 H new ATOM 0 HD2 HIS A 86 13.440 -4.274 5.260 1.00 73.44 H new ATOM 0 HE1 HIS A 86 10.477 -5.472 8.034 1.00 72.12 H new ATOM 0 HE2 HIS A 86 12.779 -4.432 7.770 1.00 30.43 H new ATOM 1397 N ASP A 87 11.038 -2.049 2.061 1.00 15.45 N ATOM 1398 CA ASP A 87 11.481 -0.645 2.262 1.00 43.32 C ATOM 1399 C ASP A 87 10.280 0.319 2.548 1.00 0.11 C ATOM 1400 O ASP A 87 10.480 1.502 2.835 1.00 73.40 O ATOM 1401 CB ASP A 87 12.385 -0.196 1.062 1.00 31.41 C ATOM 1402 CG ASP A 87 12.941 1.237 1.187 1.00 11.43 C ATOM 1403 OD1 ASP A 87 13.881 1.457 1.980 1.00 71.42 O ATOM 1404 OD2 ASP A 87 12.465 2.145 0.462 1.00 25.13 O ATOM 0 H ASP A 87 10.982 -2.327 1.081 1.00 15.45 H new ATOM 0 HA ASP A 87 12.093 -0.591 3.162 1.00 43.32 H new ATOM 0 HB2 ASP A 87 13.220 -0.891 0.972 1.00 31.41 H new ATOM 0 HB3 ASP A 87 11.808 -0.270 0.140 1.00 31.41 H new ATOM 1409 N LEU A 88 9.030 -0.211 2.537 1.00 71.13 N ATOM 1410 CA LEU A 88 7.831 0.511 3.052 1.00 11.01 C ATOM 1411 C LEU A 88 7.151 -0.337 4.135 1.00 35.23 C ATOM 1412 O LEU A 88 5.919 -0.339 4.281 1.00 73.40 O ATOM 1413 CB LEU A 88 6.827 0.939 1.935 1.00 42.35 C ATOM 1414 CG LEU A 88 6.436 -0.121 0.846 1.00 11.02 C ATOM 1415 CD1 LEU A 88 4.984 0.070 0.363 1.00 63.54 C ATOM 1416 CD2 LEU A 88 7.387 -0.030 -0.355 1.00 63.23 C ATOM 0 H LEU A 88 8.823 -1.142 2.175 1.00 71.13 H new ATOM 0 HA LEU A 88 8.178 1.448 3.488 1.00 11.01 H new ATOM 0 HB2 LEU A 88 5.910 1.272 2.421 1.00 42.35 H new ATOM 0 HB3 LEU A 88 7.248 1.804 1.422 1.00 42.35 H new ATOM 0 HG LEU A 88 6.519 -1.105 1.307 1.00 11.02 H new ATOM 0 HD11 LEU A 88 4.749 -0.682 -0.390 1.00 63.54 H new ATOM 0 HD12 LEU A 88 4.303 -0.037 1.207 1.00 63.54 H new ATOM 0 HD13 LEU A 88 4.872 1.064 -0.070 1.00 63.54 H new ATOM 0 HD21 LEU A 88 7.102 -0.772 -1.101 1.00 63.23 H new ATOM 0 HD22 LEU A 88 7.327 0.967 -0.792 1.00 63.23 H new ATOM 0 HD23 LEU A 88 8.408 -0.220 -0.026 1.00 63.23 H new ATOM 1428 N SER A 89 7.997 -0.993 4.949 1.00 64.40 N ATOM 1429 CA SER A 89 7.564 -1.873 6.053 1.00 71.13 C ATOM 1430 C SER A 89 6.719 -1.118 7.107 1.00 70.12 C ATOM 1431 O SER A 89 5.859 -1.718 7.762 1.00 23.54 O ATOM 1432 CB SER A 89 8.797 -2.509 6.717 1.00 12.25 C ATOM 1433 OG SER A 89 8.450 -3.421 7.752 1.00 63.22 O ATOM 0 H SER A 89 9.011 -0.928 4.859 1.00 64.40 H new ATOM 0 HA SER A 89 6.928 -2.650 5.630 1.00 71.13 H new ATOM 0 HB2 SER A 89 9.385 -3.029 5.961 1.00 12.25 H new ATOM 0 HB3 SER A 89 9.430 -1.723 7.128 1.00 12.25 H new ATOM 0 HG SER A 89 9.220 -3.554 8.343 1.00 63.22 H new ATOM 1439 N GLU A 90 6.975 0.202 7.237 1.00 3.20 N ATOM 1440 CA GLU A 90 6.242 1.098 8.153 1.00 44.24 C ATOM 1441 C GLU A 90 4.756 1.200 7.726 1.00 52.53 C ATOM 1442 O GLU A 90 3.872 1.240 8.579 1.00 23.43 O ATOM 1443 CB GLU A 90 6.939 2.507 8.201 1.00 53.32 C ATOM 1444 CG GLU A 90 8.318 2.574 8.942 1.00 13.52 C ATOM 1445 CD GLU A 90 9.102 3.876 8.671 1.00 72.23 C ATOM 1446 OE1 GLU A 90 8.817 4.909 9.311 1.00 31.23 O ATOM 1447 OE2 GLU A 90 10.009 3.872 7.808 1.00 21.42 O ATOM 0 H GLU A 90 7.703 0.678 6.704 1.00 3.20 H new ATOM 0 HA GLU A 90 6.264 0.685 9.161 1.00 44.24 H new ATOM 0 HB2 GLU A 90 7.083 2.852 7.177 1.00 53.32 H new ATOM 0 HB3 GLU A 90 6.258 3.210 8.681 1.00 53.32 H new ATOM 0 HG2 GLU A 90 8.150 2.477 10.015 1.00 13.52 H new ATOM 0 HG3 GLU A 90 8.927 1.723 8.637 1.00 13.52 H new ATOM 1454 N LEU A 91 4.500 1.175 6.399 1.00 50.03 N ATOM 1455 CA LEU A 91 3.132 1.233 5.835 1.00 51.43 C ATOM 1456 C LEU A 91 2.353 -0.064 6.153 1.00 52.35 C ATOM 1457 O LEU A 91 1.167 -0.022 6.558 1.00 14.23 O ATOM 1458 CB LEU A 91 3.207 1.459 4.300 1.00 44.15 C ATOM 1459 CG LEU A 91 1.846 1.609 3.551 1.00 13.50 C ATOM 1460 CD1 LEU A 91 1.086 2.863 4.019 1.00 55.53 C ATOM 1461 CD2 LEU A 91 2.053 1.610 2.019 1.00 24.30 C ATOM 0 H LEU A 91 5.232 1.114 5.691 1.00 50.03 H new ATOM 0 HA LEU A 91 2.599 2.067 6.292 1.00 51.43 H new ATOM 0 HB2 LEU A 91 3.799 2.356 4.116 1.00 44.15 H new ATOM 0 HB3 LEU A 91 3.749 0.623 3.858 1.00 44.15 H new ATOM 0 HG LEU A 91 1.230 0.745 3.800 1.00 13.50 H new ATOM 0 HD11 LEU A 91 0.142 2.939 3.479 1.00 55.53 H new ATOM 0 HD12 LEU A 91 0.887 2.790 5.088 1.00 55.53 H new ATOM 0 HD13 LEU A 91 1.690 3.749 3.822 1.00 55.53 H new ATOM 0 HD21 LEU A 91 1.089 1.716 1.522 1.00 24.30 H new ATOM 0 HD22 LEU A 91 2.699 2.443 1.740 1.00 24.30 H new ATOM 0 HD23 LEU A 91 2.518 0.672 1.714 1.00 24.30 H new ATOM 1473 N TYR A 92 3.046 -1.213 5.991 1.00 60.41 N ATOM 1474 CA TYR A 92 2.471 -2.535 6.266 1.00 12.12 C ATOM 1475 C TYR A 92 2.098 -2.660 7.764 1.00 74.13 C ATOM 1476 O TYR A 92 1.034 -3.197 8.111 1.00 45.12 O ATOM 1477 CB TYR A 92 3.435 -3.673 5.843 1.00 72.32 C ATOM 1478 CG TYR A 92 2.916 -5.081 6.170 1.00 73.40 C ATOM 1479 CD1 TYR A 92 3.674 -5.977 6.928 1.00 61.22 C ATOM 1480 CD2 TYR A 92 1.655 -5.508 5.732 1.00 54.13 C ATOM 1481 CE1 TYR A 92 3.195 -7.235 7.237 1.00 5.14 C ATOM 1482 CE2 TYR A 92 1.176 -6.761 6.040 1.00 74.23 C ATOM 1483 CZ TYR A 92 1.949 -7.625 6.787 1.00 30.21 C ATOM 1484 OH TYR A 92 1.469 -8.885 7.091 1.00 13.21 O ATOM 0 H TYR A 92 4.013 -1.243 5.668 1.00 60.41 H new ATOM 0 HA TYR A 92 1.564 -2.636 5.671 1.00 12.12 H new ATOM 0 HB2 TYR A 92 3.616 -3.603 4.770 1.00 72.32 H new ATOM 0 HB3 TYR A 92 4.395 -3.526 6.338 1.00 72.32 H new ATOM 0 HD1 TYR A 92 4.652 -5.681 7.278 1.00 61.22 H new ATOM 0 HD2 TYR A 92 1.047 -4.840 5.141 1.00 54.13 H new ATOM 0 HE1 TYR A 92 3.793 -7.912 7.829 1.00 5.14 H new ATOM 0 HE2 TYR A 92 0.198 -7.067 5.698 1.00 74.23 H new ATOM 0 HH TYR A 92 0.890 -9.198 6.365 1.00 13.21 H new ATOM 1494 N LYS A 93 2.984 -2.129 8.626 1.00 23.33 N ATOM 1495 CA LYS A 93 2.791 -2.086 10.081 1.00 55.10 C ATOM 1496 C LYS A 93 1.597 -1.166 10.409 1.00 33.33 C ATOM 1497 O LYS A 93 0.794 -1.476 11.286 1.00 2.40 O ATOM 1498 CB LYS A 93 4.117 -1.587 10.750 1.00 35.02 C ATOM 1499 CG LYS A 93 4.246 -1.736 12.301 1.00 54.42 C ATOM 1500 CD LYS A 93 3.360 -0.784 13.142 1.00 5.11 C ATOM 1501 CE LYS A 93 3.516 0.699 12.755 1.00 45.01 C ATOM 1502 NZ LYS A 93 4.896 1.197 12.962 1.00 24.30 N ATOM 0 H LYS A 93 3.865 -1.713 8.324 1.00 23.33 H new ATOM 0 HA LYS A 93 2.563 -3.077 10.474 1.00 55.10 H new ATOM 0 HB2 LYS A 93 4.947 -2.123 10.291 1.00 35.02 H new ATOM 0 HB3 LYS A 93 4.242 -0.533 10.502 1.00 35.02 H new ATOM 0 HG2 LYS A 93 4.001 -2.763 12.571 1.00 54.42 H new ATOM 0 HG3 LYS A 93 5.288 -1.573 12.578 1.00 54.42 H new ATOM 0 HD2 LYS A 93 2.316 -1.074 13.026 1.00 5.11 H new ATOM 0 HD3 LYS A 93 3.609 -0.905 14.196 1.00 5.11 H new ATOM 0 HE2 LYS A 93 3.239 0.829 11.709 1.00 45.01 H new ATOM 0 HE3 LYS A 93 2.824 1.300 13.345 1.00 45.01 H new ATOM 0 HZ1 LYS A 93 4.948 2.199 12.687 1.00 24.30 H new ATOM 0 HZ2 LYS A 93 5.154 1.099 13.965 1.00 24.30 H new ATOM 0 HZ3 LYS A 93 5.556 0.643 12.379 1.00 24.30 H new ATOM 1516 N PHE A 94 1.513 -0.031 9.691 1.00 4.21 N ATOM 1517 CA PHE A 94 0.494 1.015 9.915 1.00 61.20 C ATOM 1518 C PHE A 94 -0.930 0.450 9.764 1.00 2.34 C ATOM 1519 O PHE A 94 -1.776 0.636 10.653 1.00 65.31 O ATOM 1520 CB PHE A 94 0.740 2.198 8.930 1.00 13.20 C ATOM 1521 CG PHE A 94 -0.326 3.297 8.920 1.00 13.44 C ATOM 1522 CD1 PHE A 94 -0.450 4.189 9.984 1.00 62.14 C ATOM 1523 CD2 PHE A 94 -1.195 3.448 7.832 1.00 32.24 C ATOM 1524 CE1 PHE A 94 -1.413 5.182 9.965 1.00 52.01 C ATOM 1525 CE2 PHE A 94 -2.154 4.443 7.819 1.00 41.43 C ATOM 1526 CZ PHE A 94 -2.260 5.310 8.885 1.00 33.33 C ATOM 0 H PHE A 94 2.156 0.189 8.931 1.00 4.21 H new ATOM 0 HA PHE A 94 0.584 1.382 10.938 1.00 61.20 H new ATOM 0 HB2 PHE A 94 1.700 2.653 9.173 1.00 13.20 H new ATOM 0 HB3 PHE A 94 0.825 1.793 7.922 1.00 13.20 H new ATOM 0 HD1 PHE A 94 0.213 4.104 10.832 1.00 62.14 H new ATOM 0 HD2 PHE A 94 -1.114 2.776 6.990 1.00 32.24 H new ATOM 0 HE1 PHE A 94 -1.502 5.860 10.801 1.00 52.01 H new ATOM 0 HE2 PHE A 94 -2.820 4.541 6.974 1.00 41.43 H new ATOM 0 HZ PHE A 94 -3.007 6.090 8.874 1.00 33.33 H new ATOM 1536 N ILE A 95 -1.172 -0.300 8.666 1.00 24.11 N ATOM 1537 CA ILE A 95 -2.520 -0.866 8.381 1.00 54.23 C ATOM 1538 C ILE A 95 -2.841 -2.076 9.307 1.00 15.14 C ATOM 1539 O ILE A 95 -3.952 -2.605 9.269 1.00 45.35 O ATOM 1540 CB ILE A 95 -2.741 -1.210 6.840 1.00 4.04 C ATOM 1541 CG1 ILE A 95 -2.113 -2.585 6.416 1.00 52.00 C ATOM 1542 CG2 ILE A 95 -2.254 -0.041 5.943 1.00 74.30 C ATOM 1543 CD1 ILE A 95 -2.007 -2.839 4.909 1.00 31.52 C ATOM 0 H ILE A 95 -0.465 -0.528 7.967 1.00 24.11 H new ATOM 0 HA ILE A 95 -3.239 -0.080 8.613 1.00 54.23 H new ATOM 0 HB ILE A 95 -3.814 -1.327 6.691 1.00 4.04 H new ATOM 0 HG12 ILE A 95 -1.114 -2.654 6.847 1.00 52.00 H new ATOM 0 HG13 ILE A 95 -2.707 -3.385 6.858 1.00 52.00 H new ATOM 0 HG21 ILE A 95 -2.414 -0.296 4.895 1.00 74.30 H new ATOM 0 HG22 ILE A 95 -2.814 0.862 6.186 1.00 74.30 H new ATOM 0 HG23 ILE A 95 -1.192 0.133 6.117 1.00 74.30 H new ATOM 0 HD11 ILE A 95 -1.559 -3.817 4.736 1.00 31.52 H new ATOM 0 HD12 ILE A 95 -3.002 -2.811 4.464 1.00 31.52 H new ATOM 0 HD13 ILE A 95 -1.384 -2.069 4.453 1.00 31.52 H new ATOM 1555 N THR A 96 -1.860 -2.493 10.155 1.00 71.02 N ATOM 1556 CA THR A 96 -2.050 -3.559 11.172 1.00 14.43 C ATOM 1557 C THR A 96 -1.829 -3.024 12.608 1.00 75.54 C ATOM 1558 O THR A 96 -1.833 -3.825 13.562 1.00 11.33 O ATOM 1559 CB THR A 96 -1.066 -4.759 10.948 1.00 43.21 C ATOM 1560 OG1 THR A 96 0.278 -4.272 10.827 1.00 0.24 O ATOM 1561 CG2 THR A 96 -1.406 -5.596 9.716 1.00 15.42 C ATOM 0 H THR A 96 -0.919 -2.099 10.151 1.00 71.02 H new ATOM 0 HA THR A 96 -3.079 -3.900 11.057 1.00 14.43 H new ATOM 0 HB THR A 96 -1.167 -5.407 11.818 1.00 43.21 H new ATOM 0 HG1 THR A 96 0.311 -3.332 11.102 1.00 0.24 H new ATOM 0 HG21 THR A 96 -0.687 -6.409 9.619 1.00 15.42 H new ATOM 0 HG22 THR A 96 -2.409 -6.009 9.822 1.00 15.42 H new ATOM 0 HG23 THR A 96 -1.365 -4.967 8.826 1.00 15.42 H new ATOM 1569 N SER A 97 -1.634 -1.685 12.751 1.00 50.44 N ATOM 1570 CA SER A 97 -1.228 -1.040 14.022 1.00 63.25 C ATOM 1571 C SER A 97 -2.117 -1.467 15.218 1.00 42.33 C ATOM 1572 O SER A 97 -1.582 -1.854 16.256 1.00 22.34 O ATOM 1573 CB SER A 97 -1.212 0.497 13.856 1.00 24.40 C ATOM 1574 OG SER A 97 -0.854 1.149 15.067 1.00 15.02 O ATOM 0 H SER A 97 -1.755 -1.024 11.983 1.00 50.44 H new ATOM 0 HA SER A 97 -0.219 -1.382 14.255 1.00 63.25 H new ATOM 0 HB2 SER A 97 -0.507 0.772 13.072 1.00 24.40 H new ATOM 0 HB3 SER A 97 -2.196 0.839 13.534 1.00 24.40 H new ATOM 0 HG SER A 97 -0.852 2.119 14.928 1.00 15.02 H new ATOM 1580 N SER A 98 -3.457 -1.399 15.025 1.00 64.44 N ATOM 1581 CA SER A 98 -4.469 -1.897 15.997 1.00 44.51 C ATOM 1582 C SER A 98 -5.887 -1.579 15.471 1.00 51.32 C ATOM 1583 O SER A 98 -6.767 -2.450 15.438 1.00 70.23 O ATOM 1584 CB SER A 98 -4.298 -1.275 17.419 1.00 11.15 C ATOM 1585 OG SER A 98 -5.172 -1.879 18.364 1.00 2.25 O ATOM 0 H SER A 98 -3.872 -0.995 14.185 1.00 64.44 H new ATOM 0 HA SER A 98 -4.322 -2.973 16.092 1.00 44.51 H new ATOM 0 HB2 SER A 98 -3.266 -1.396 17.748 1.00 11.15 H new ATOM 0 HB3 SER A 98 -4.494 -0.204 17.374 1.00 11.15 H new ATOM 0 HG SER A 98 -5.038 -1.467 19.243 1.00 2.25 H new ATOM 1591 N LYS A 99 -6.070 -0.309 15.048 1.00 35.22 N ATOM 1592 CA LYS A 99 -7.384 0.263 14.670 1.00 34.51 C ATOM 1593 C LYS A 99 -7.956 -0.430 13.420 1.00 51.33 C ATOM 1594 O LYS A 99 -9.110 -0.868 13.407 1.00 51.42 O ATOM 1595 CB LYS A 99 -7.224 1.791 14.433 1.00 65.01 C ATOM 1596 CG LYS A 99 -8.542 2.580 14.306 1.00 70.31 C ATOM 1597 CD LYS A 99 -8.298 4.102 14.201 1.00 15.50 C ATOM 1598 CE LYS A 99 -9.594 4.924 14.160 1.00 54.20 C ATOM 1599 NZ LYS A 99 -10.443 4.591 12.989 1.00 12.44 N ATOM 0 H LYS A 99 -5.302 0.356 14.958 1.00 35.22 H new ATOM 0 HA LYS A 99 -8.091 0.095 15.482 1.00 34.51 H new ATOM 0 HB2 LYS A 99 -6.646 2.211 15.256 1.00 65.01 H new ATOM 0 HB3 LYS A 99 -6.641 1.942 13.525 1.00 65.01 H new ATOM 0 HG2 LYS A 99 -9.085 2.238 13.425 1.00 70.31 H new ATOM 0 HG3 LYS A 99 -9.173 2.373 15.170 1.00 70.31 H new ATOM 0 HD2 LYS A 99 -7.697 4.426 15.051 1.00 15.50 H new ATOM 0 HD3 LYS A 99 -7.717 4.308 13.302 1.00 15.50 H new ATOM 0 HE2 LYS A 99 -10.159 4.750 15.075 1.00 54.20 H new ATOM 0 HE3 LYS A 99 -9.346 5.985 14.135 1.00 54.20 H new ATOM 0 HZ1 LYS A 99 -11.288 5.197 12.990 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 -9.904 4.749 12.114 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 -10.732 3.593 13.042 1.00 12.44 H new ATOM 1613 N ALA A 100 -7.117 -0.544 12.382 1.00 15.55 N ATOM 1614 CA ALA A 100 -7.465 -1.240 11.128 1.00 53.20 C ATOM 1615 C ALA A 100 -7.001 -2.712 11.166 1.00 12.21 C ATOM 1616 O ALA A 100 -6.710 -3.315 10.127 1.00 12.55 O ATOM 1617 CB ALA A 100 -6.848 -0.500 9.932 1.00 52.31 C ATOM 0 H ALA A 100 -6.174 -0.156 12.385 1.00 15.55 H new ATOM 0 HA ALA A 100 -8.549 -1.240 11.018 1.00 53.20 H new ATOM 0 HB1 ALA A 100 -7.109 -1.019 9.009 1.00 52.31 H new ATOM 0 HB2 ALA A 100 -7.233 0.519 9.897 1.00 52.31 H new ATOM 0 HB3 ALA A 100 -5.764 -0.474 10.040 1.00 52.31 H new ATOM 1623 N SER A 101 -6.963 -3.293 12.372 1.00 11.53 N ATOM 1624 CA SER A 101 -6.600 -4.699 12.577 1.00 74.42 C ATOM 1625 C SER A 101 -7.666 -5.380 13.460 1.00 42.34 C ATOM 1626 O SER A 101 -7.396 -6.392 14.107 1.00 62.10 O ATOM 1627 CB SER A 101 -5.183 -4.780 13.209 1.00 71.33 C ATOM 1628 OG SER A 101 -4.675 -6.113 13.243 1.00 43.40 O ATOM 0 H SER A 101 -7.184 -2.798 13.236 1.00 11.53 H new ATOM 0 HA SER A 101 -6.570 -5.227 11.624 1.00 74.42 H new ATOM 0 HB2 SER A 101 -4.499 -4.148 12.642 1.00 71.33 H new ATOM 0 HB3 SER A 101 -5.218 -4.382 14.223 1.00 71.33 H new ATOM 0 HG SER A 101 -5.370 -6.719 13.575 1.00 43.40 H new ATOM 1634 N ASN A 102 -8.901 -4.834 13.457 1.00 31.51 N ATOM 1635 CA ASN A 102 -10.026 -5.397 14.235 1.00 41.54 C ATOM 1636 C ASN A 102 -10.823 -6.384 13.352 1.00 31.55 C ATOM 1637 O ASN A 102 -10.633 -7.603 13.464 1.00 23.00 O ATOM 1638 CB ASN A 102 -10.944 -4.278 14.808 1.00 61.14 C ATOM 1639 CG ASN A 102 -10.239 -3.340 15.798 1.00 63.22 C ATOM 1640 OD1 ASN A 102 -9.327 -3.745 16.518 1.00 73.11 O ATOM 1641 ND2 ASN A 102 -10.655 -2.082 15.850 1.00 1.10 N ATOM 0 H ASN A 102 -9.145 -4.000 12.922 1.00 31.51 H new ATOM 0 HA ASN A 102 -9.621 -5.938 15.091 1.00 41.54 H new ATOM 0 HB2 ASN A 102 -11.339 -3.687 13.982 1.00 61.14 H new ATOM 0 HB3 ASN A 102 -11.797 -4.740 15.305 1.00 61.14 H new ATOM 0 HD21 ASN A 102 -10.217 -1.426 16.497 1.00 1.10 H new ATOM 0 HD22 ASN A 102 -11.413 -1.770 15.243 1.00 1.10 H new ATOM 1648 N LYS A 103 -11.673 -5.852 12.432 1.00 63.11 N ATOM 1649 CA LYS A 103 -12.538 -6.689 11.560 1.00 21.23 C ATOM 1650 C LYS A 103 -13.203 -5.836 10.452 1.00 13.33 C ATOM 1651 O LYS A 103 -13.123 -6.176 9.261 1.00 65.15 O ATOM 1652 CB LYS A 103 -13.619 -7.416 12.411 1.00 3.22 C ATOM 1653 CG LYS A 103 -14.438 -8.489 11.662 1.00 70.41 C ATOM 1654 CD LYS A 103 -15.414 -9.249 12.590 1.00 22.31 C ATOM 1655 CE LYS A 103 -14.699 -9.959 13.753 1.00 0.43 C ATOM 1656 NZ LYS A 103 -15.651 -10.671 14.653 1.00 34.12 N ATOM 0 H LYS A 103 -11.776 -4.849 12.277 1.00 63.11 H new ATOM 0 HA LYS A 103 -11.910 -7.438 11.076 1.00 21.23 H new ATOM 0 HB2 LYS A 103 -13.130 -7.886 13.264 1.00 3.22 H new ATOM 0 HB3 LYS A 103 -14.307 -6.670 12.809 1.00 3.22 H new ATOM 0 HG2 LYS A 103 -15.002 -8.015 10.858 1.00 70.41 H new ATOM 0 HG3 LYS A 103 -13.757 -9.201 11.196 1.00 70.41 H new ATOM 0 HD2 LYS A 103 -16.145 -8.548 12.993 1.00 22.31 H new ATOM 0 HD3 LYS A 103 -15.966 -9.985 12.005 1.00 22.31 H new ATOM 0 HE2 LYS A 103 -13.979 -10.672 13.352 1.00 0.43 H new ATOM 0 HE3 LYS A 103 -14.135 -9.227 14.331 1.00 0.43 H new ATOM 0 HZ1 LYS A 103 -15.123 -11.134 15.421 1.00 34.12 H new ATOM 0 HZ2 LYS A 103 -16.323 -9.988 15.058 1.00 34.12 H new ATOM 0 HZ3 LYS A 103 -16.172 -11.389 14.110 1.00 34.12 H new ATOM 1670 N ASN A 104 -13.868 -4.723 10.863 1.00 20.10 N ATOM 1671 CA ASN A 104 -14.584 -3.798 9.936 1.00 21.15 C ATOM 1672 C ASN A 104 -13.603 -3.127 8.964 1.00 20.42 C ATOM 1673 O ASN A 104 -13.929 -2.930 7.806 1.00 31.31 O ATOM 1674 CB ASN A 104 -15.383 -2.705 10.715 1.00 73.10 C ATOM 1675 CG ASN A 104 -16.564 -3.249 11.528 1.00 22.24 C ATOM 1676 OD1 ASN A 104 -17.177 -4.258 11.174 1.00 32.41 O ATOM 1677 ND2 ASN A 104 -16.909 -2.568 12.616 1.00 2.12 N ATOM 0 H ASN A 104 -13.924 -4.441 11.842 1.00 20.10 H new ATOM 0 HA ASN A 104 -15.292 -4.401 9.368 1.00 21.15 H new ATOM 0 HB2 ASN A 104 -14.702 -2.184 11.388 1.00 73.10 H new ATOM 0 HB3 ASN A 104 -15.755 -1.967 10.004 1.00 73.10 H new ATOM 0 HD21 ASN A 104 -17.699 -2.877 13.182 1.00 2.12 H new ATOM 0 HD22 ASN A 104 -16.383 -1.736 12.885 1.00 2.12 H new ATOM 1684 N LEU A 105 -12.415 -2.771 9.477 1.00 61.04 N ATOM 1685 CA LEU A 105 -11.287 -2.230 8.691 1.00 21.25 C ATOM 1686 C LEU A 105 -10.110 -3.187 8.876 1.00 12.45 C ATOM 1687 O LEU A 105 -9.786 -3.538 10.022 1.00 65.33 O ATOM 1688 CB LEU A 105 -10.881 -0.784 9.140 1.00 20.21 C ATOM 1689 CG LEU A 105 -11.955 0.356 8.992 1.00 23.11 C ATOM 1690 CD1 LEU A 105 -13.046 0.280 10.084 1.00 23.45 C ATOM 1691 CD2 LEU A 105 -11.297 1.756 8.968 1.00 73.53 C ATOM 0 H LEU A 105 -12.204 -2.852 10.472 1.00 61.04 H new ATOM 0 HA LEU A 105 -11.583 -2.152 7.645 1.00 21.25 H new ATOM 0 HB2 LEU A 105 -10.582 -0.829 10.187 1.00 20.21 H new ATOM 0 HB3 LEU A 105 -10.000 -0.491 8.570 1.00 20.21 H new ATOM 0 HG LEU A 105 -12.446 0.196 8.032 1.00 23.11 H new ATOM 0 HD11 LEU A 105 -13.763 1.088 9.939 1.00 23.45 H new ATOM 0 HD12 LEU A 105 -13.561 -0.679 10.018 1.00 23.45 H new ATOM 0 HD13 LEU A 105 -12.585 0.377 11.067 1.00 23.45 H new ATOM 0 HD21 LEU A 105 -12.069 2.519 8.865 1.00 73.53 H new ATOM 0 HD22 LEU A 105 -10.750 1.917 9.897 1.00 73.53 H new ATOM 0 HD23 LEU A 105 -10.608 1.820 8.125 1.00 73.53 H new ATOM 1703 N GLY A 106 -9.506 -3.620 7.750 1.00 44.24 N ATOM 1704 CA GLY A 106 -8.436 -4.619 7.759 1.00 51.23 C ATOM 1705 C GLY A 106 -8.887 -5.928 8.406 1.00 65.45 C ATOM 1706 O GLY A 106 -9.779 -6.603 7.880 1.00 22.03 O ATOM 0 H GLY A 106 -9.750 -3.285 6.818 1.00 44.24 H new ATOM 0 HA2 GLY A 106 -8.110 -4.812 6.737 1.00 51.23 H new ATOM 0 HA3 GLY A 106 -7.575 -4.225 8.299 1.00 51.23 H new ATOM 1710 N GLY A 107 -8.304 -6.276 9.560 1.00 31.14 N ATOM 1711 CA GLY A 107 -8.773 -7.427 10.332 1.00 31.21 C ATOM 1712 C GLY A 107 -7.693 -8.072 11.179 1.00 14.41 C ATOM 1713 O GLY A 107 -6.499 -7.932 10.887 1.00 70.40 O ATOM 0 H GLY A 107 -7.514 -5.781 9.974 1.00 31.14 H new ATOM 0 HA2 GLY A 107 -9.590 -7.110 10.980 1.00 31.21 H new ATOM 0 HA3 GLY A 107 -9.179 -8.172 9.647 1.00 31.21 H new ATOM 1717 N GLY A 108 -8.128 -8.768 12.248 1.00 64.11 N ATOM 1718 CA GLY A 108 -7.222 -9.480 13.150 1.00 4.21 C ATOM 1719 C GLY A 108 -6.689 -10.762 12.539 1.00 53.54 C ATOM 1720 O GLY A 108 -5.559 -11.173 12.824 1.00 1.14 O ATOM 0 H GLY A 108 -9.112 -8.848 12.503 1.00 64.11 H new ATOM 0 HA2 GLY A 108 -6.387 -8.830 13.410 1.00 4.21 H new ATOM 0 HA3 GLY A 108 -7.745 -9.713 14.077 1.00 4.21 H new ATOM 1724 N LEU A 109 -7.526 -11.407 11.713 1.00 65.42 N ATOM 1725 CA LEU A 109 -7.127 -12.588 10.936 1.00 13.12 C ATOM 1726 C LEU A 109 -6.223 -12.136 9.771 1.00 41.22 C ATOM 1727 O LEU A 109 -6.632 -11.303 8.969 1.00 50.12 O ATOM 1728 CB LEU A 109 -8.384 -13.337 10.407 1.00 33.11 C ATOM 1729 CG LEU A 109 -9.441 -13.747 11.485 1.00 5.32 C ATOM 1730 CD1 LEU A 109 -10.646 -14.475 10.854 1.00 65.33 C ATOM 1731 CD2 LEU A 109 -8.811 -14.591 12.608 1.00 12.40 C ATOM 0 H LEU A 109 -8.495 -11.125 11.566 1.00 65.42 H new ATOM 0 HA LEU A 109 -6.573 -13.279 11.572 1.00 13.12 H new ATOM 0 HB2 LEU A 109 -8.875 -12.705 9.667 1.00 33.11 H new ATOM 0 HB3 LEU A 109 -8.055 -14.237 9.888 1.00 33.11 H new ATOM 0 HG LEU A 109 -9.811 -12.825 11.934 1.00 5.32 H new ATOM 0 HD11 LEU A 109 -11.358 -14.744 11.634 1.00 65.33 H new ATOM 0 HD12 LEU A 109 -11.130 -13.818 10.131 1.00 65.33 H new ATOM 0 HD13 LEU A 109 -10.302 -15.378 10.350 1.00 65.33 H new ATOM 0 HD21 LEU A 109 -9.577 -14.856 13.337 1.00 12.40 H new ATOM 0 HD22 LEU A 109 -8.384 -15.500 12.184 1.00 12.40 H new ATOM 0 HD23 LEU A 109 -8.026 -14.016 13.099 1.00 12.40 H new ATOM 1743 N ILE A 110 -4.997 -12.685 9.694 1.00 41.20 N ATOM 1744 CA ILE A 110 -3.992 -12.323 8.659 1.00 32.23 C ATOM 1745 C ILE A 110 -4.183 -13.152 7.357 1.00 33.43 C ATOM 1746 O ILE A 110 -3.261 -13.243 6.536 1.00 33.54 O ATOM 1747 CB ILE A 110 -2.514 -12.526 9.227 1.00 45.53 C ATOM 1748 CG1 ILE A 110 -2.231 -14.045 9.525 1.00 5.02 C ATOM 1749 CG2 ILE A 110 -2.249 -11.673 10.504 1.00 42.11 C ATOM 1750 CD1 ILE A 110 -0.850 -14.382 10.103 1.00 61.40 C ATOM 0 H ILE A 110 -4.667 -13.396 10.347 1.00 41.20 H new ATOM 0 HA ILE A 110 -4.140 -11.272 8.410 1.00 32.23 H new ATOM 0 HB ILE A 110 -1.830 -12.181 8.452 1.00 45.53 H new ATOM 0 HG12 ILE A 110 -2.989 -14.403 10.221 1.00 5.02 H new ATOM 0 HG13 ILE A 110 -2.359 -14.604 8.598 1.00 5.02 H new ATOM 0 HG21 ILE A 110 -1.231 -11.846 10.852 1.00 42.11 H new ATOM 0 HG22 ILE A 110 -2.378 -10.616 10.269 1.00 42.11 H new ATOM 0 HG23 ILE A 110 -2.953 -11.959 11.285 1.00 42.11 H new ATOM 0 HD11 ILE A 110 -0.776 -15.457 10.265 1.00 61.40 H new ATOM 0 HD12 ILE A 110 -0.076 -14.066 9.404 1.00 61.40 H new ATOM 0 HD13 ILE A 110 -0.716 -13.862 11.052 1.00 61.40 H new ATOM 1762 N MET A 111 -5.405 -13.696 7.163 1.00 2.34 N ATOM 1763 CA MET A 111 -5.736 -14.616 6.058 1.00 61.23 C ATOM 1764 C MET A 111 -5.499 -13.970 4.667 1.00 71.24 C ATOM 1765 O MET A 111 -6.300 -13.169 4.169 1.00 14.34 O ATOM 1766 CB MET A 111 -7.190 -15.160 6.229 1.00 22.44 C ATOM 1767 CG MET A 111 -8.268 -14.088 6.414 1.00 3.44 C ATOM 1768 SD MET A 111 -9.903 -14.771 6.751 1.00 64.44 S ATOM 1769 CE MET A 111 -10.260 -15.690 5.251 1.00 13.24 C ATOM 0 H MET A 111 -6.196 -13.505 7.778 1.00 2.34 H new ATOM 0 HA MET A 111 -5.055 -15.466 6.105 1.00 61.23 H new ATOM 0 HB2 MET A 111 -7.442 -15.759 5.354 1.00 22.44 H new ATOM 0 HB3 MET A 111 -7.212 -15.828 7.090 1.00 22.44 H new ATOM 0 HG2 MET A 111 -7.980 -13.431 7.235 1.00 3.44 H new ATOM 0 HG3 MET A 111 -8.317 -13.473 5.515 1.00 3.44 H new ATOM 0 HE1 MET A 111 -11.307 -15.993 5.250 1.00 13.24 H new ATOM 0 HE2 MET A 111 -10.063 -15.060 4.383 1.00 13.24 H new ATOM 0 HE3 MET A 111 -9.626 -16.576 5.208 1.00 13.24 H new ATOM 1779 N SER A 112 -4.331 -14.291 4.096 1.00 13.04 N ATOM 1780 CA SER A 112 -3.917 -13.862 2.758 1.00 52.54 C ATOM 1781 C SER A 112 -3.341 -15.094 2.036 1.00 52.25 C ATOM 1782 O SER A 112 -2.234 -15.542 2.373 1.00 4.24 O ATOM 1783 CB SER A 112 -2.861 -12.738 2.863 1.00 2.42 C ATOM 1784 OG SER A 112 -3.280 -11.698 3.735 1.00 51.25 O ATOM 0 H SER A 112 -3.633 -14.869 4.564 1.00 13.04 H new ATOM 0 HA SER A 112 -4.763 -13.462 2.198 1.00 52.54 H new ATOM 0 HB2 SER A 112 -1.920 -13.156 3.222 1.00 2.42 H new ATOM 0 HB3 SER A 112 -2.669 -12.326 1.872 1.00 2.42 H new ATOM 0 HG SER A 112 -3.306 -12.034 4.655 1.00 51.25 H new ATOM 1790 N TRP A 113 -4.117 -15.645 1.081 1.00 22.12 N ATOM 1791 CA TRP A 113 -3.798 -16.914 0.404 1.00 60.14 C ATOM 1792 C TRP A 113 -2.504 -16.797 -0.435 1.00 52.43 C ATOM 1793 O TRP A 113 -2.496 -16.206 -1.523 1.00 61.32 O ATOM 1794 CB TRP A 113 -4.988 -17.392 -0.485 1.00 74.45 C ATOM 1795 CG TRP A 113 -6.343 -17.410 0.206 1.00 72.23 C ATOM 1796 CD1 TRP A 113 -7.490 -16.787 -0.222 1.00 33.12 C ATOM 1797 CD2 TRP A 113 -6.696 -18.075 1.442 1.00 54.44 C ATOM 1798 NE1 TRP A 113 -8.514 -17.020 0.654 1.00 43.43 N ATOM 1799 CE2 TRP A 113 -8.056 -17.798 1.683 1.00 61.24 C ATOM 1800 CE3 TRP A 113 -5.999 -18.868 2.373 1.00 13.40 C ATOM 1801 CZ2 TRP A 113 -8.730 -18.288 2.795 1.00 64.21 C ATOM 1802 CZ3 TRP A 113 -6.674 -19.350 3.480 1.00 23.23 C ATOM 1803 CH2 TRP A 113 -8.026 -19.054 3.684 1.00 13.43 C ATOM 0 H TRP A 113 -4.986 -15.219 0.758 1.00 22.12 H new ATOM 0 HA TRP A 113 -3.629 -17.662 1.178 1.00 60.14 H new ATOM 0 HB2 TRP A 113 -5.052 -16.744 -1.359 1.00 74.45 H new ATOM 0 HB3 TRP A 113 -4.769 -18.396 -0.848 1.00 74.45 H new ATOM 0 HD1 TRP A 113 -7.572 -16.197 -1.123 1.00 33.12 H new ATOM 0 HE1 TRP A 113 -9.467 -16.670 0.556 1.00 43.43 H new ATOM 0 HE3 TRP A 113 -4.954 -19.096 2.225 1.00 13.40 H new ATOM 0 HZ2 TRP A 113 -9.776 -18.071 2.953 1.00 64.21 H new ATOM 0 HZ3 TRP A 113 -6.150 -19.964 4.197 1.00 23.23 H new ATOM 0 HH2 TRP A 113 -8.525 -19.438 4.562 1.00 13.43 H new ATOM 1814 N GLY A 114 -1.413 -17.339 0.117 1.00 71.12 N ATOM 1815 CA GLY A 114 -0.136 -17.491 -0.584 1.00 31.43 C ATOM 1816 C GLY A 114 0.396 -18.887 -0.352 1.00 72.43 C ATOM 1817 O GLY A 114 0.405 -19.722 -1.263 1.00 14.31 O ATOM 0 H GLY A 114 -1.393 -17.688 1.075 1.00 71.12 H new ATOM 0 HA2 GLY A 114 -0.270 -17.313 -1.651 1.00 31.43 H new ATOM 0 HA3 GLY A 114 0.580 -16.752 -0.225 1.00 31.43 H new ATOM 1821 N ARG A 115 0.836 -19.134 0.890 1.00 73.24 N ATOM 1822 CA ARG A 115 1.103 -20.480 1.391 1.00 70.20 C ATOM 1823 C ARG A 115 -0.189 -21.021 2.032 1.00 33.54 C ATOM 1824 O ARG A 115 -0.451 -20.812 3.230 1.00 64.31 O ATOM 1825 CB ARG A 115 2.274 -20.485 2.410 1.00 73.32 C ATOM 1826 CG ARG A 115 3.627 -20.007 1.843 1.00 53.32 C ATOM 1827 CD ARG A 115 4.794 -20.211 2.827 1.00 40.24 C ATOM 1828 NE ARG A 115 6.056 -19.689 2.295 1.00 34.15 N ATOM 1829 CZ ARG A 115 7.237 -19.707 2.924 1.00 60.21 C ATOM 1830 NH1 ARG A 115 7.359 -20.247 4.144 1.00 32.10 N ATOM 1831 NH2 ARG A 115 8.292 -19.166 2.326 1.00 53.01 N ATOM 0 H ARG A 115 1.016 -18.399 1.574 1.00 73.24 H new ATOM 0 HA ARG A 115 1.406 -21.123 0.564 1.00 70.20 H new ATOM 0 HB2 ARG A 115 2.005 -19.850 3.254 1.00 73.32 H new ATOM 0 HB3 ARG A 115 2.395 -21.496 2.798 1.00 73.32 H new ATOM 0 HG2 ARG A 115 3.839 -20.545 0.919 1.00 53.32 H new ATOM 0 HG3 ARG A 115 3.555 -18.950 1.587 1.00 53.32 H new ATOM 0 HD2 ARG A 115 4.565 -19.715 3.770 1.00 40.24 H new ATOM 0 HD3 ARG A 115 4.904 -21.273 3.045 1.00 40.24 H new ATOM 0 HE ARG A 115 6.032 -19.275 1.363 1.00 34.15 H new ATOM 0 HH11 ARG A 115 6.545 -20.652 4.606 1.00 32.10 H new ATOM 0 HH12 ARG A 115 8.266 -20.253 4.611 1.00 32.10 H new ATOM 0 HH21 ARG A 115 8.194 -18.746 1.402 1.00 53.01 H new ATOM 0 HH22 ARG A 115 9.200 -19.171 2.791 1.00 53.01 H new ATOM 1845 N LEU A 116 -1.022 -21.670 1.207 1.00 40.24 N ATOM 1846 CA LEU A 116 -2.337 -22.167 1.621 1.00 60.44 C ATOM 1847 C LEU A 116 -2.229 -23.642 2.059 1.00 71.41 C ATOM 1848 O LEU A 116 -2.172 -24.554 1.231 1.00 15.43 O ATOM 1849 CB LEU A 116 -3.414 -21.956 0.501 1.00 73.40 C ATOM 1850 CG LEU A 116 -3.172 -22.618 -0.911 1.00 21.44 C ATOM 1851 CD1 LEU A 116 -4.501 -22.781 -1.682 1.00 15.53 C ATOM 1852 CD2 LEU A 116 -2.152 -21.827 -1.765 1.00 3.12 C ATOM 0 H LEU A 116 -0.800 -21.865 0.231 1.00 40.24 H new ATOM 0 HA LEU A 116 -2.675 -21.586 2.479 1.00 60.44 H new ATOM 0 HB2 LEU A 116 -4.366 -22.327 0.882 1.00 73.40 H new ATOM 0 HB3 LEU A 116 -3.528 -20.883 0.349 1.00 73.40 H new ATOM 0 HG LEU A 116 -2.748 -23.605 -0.724 1.00 21.44 H new ATOM 0 HD11 LEU A 116 -4.305 -23.239 -2.651 1.00 15.53 H new ATOM 0 HD12 LEU A 116 -5.178 -23.416 -1.110 1.00 15.53 H new ATOM 0 HD13 LEU A 116 -4.959 -21.803 -1.829 1.00 15.53 H new ATOM 0 HD21 LEU A 116 -2.020 -22.323 -2.727 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -2.521 -20.814 -1.927 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -1.195 -21.786 -1.244 1.00 3.12 H new ATOM 1864 N PHE A 117 -2.161 -23.870 3.382 1.00 54.45 N ATOM 1865 CA PHE A 117 -2.102 -25.226 3.967 1.00 42.43 C ATOM 1866 C PHE A 117 -2.832 -25.240 5.334 1.00 32.33 C ATOM 1867 O PHE A 117 -3.809 -26.001 5.502 1.00 2.34 O ATOM 1868 CB PHE A 117 -0.624 -25.742 4.067 1.00 4.03 C ATOM 1869 CG PHE A 117 0.340 -24.897 4.905 1.00 32.14 C ATOM 1870 CD1 PHE A 117 0.953 -23.758 4.378 1.00 61.25 C ATOM 1871 CD2 PHE A 117 0.637 -25.243 6.232 1.00 62.21 C ATOM 1872 CE1 PHE A 117 1.826 -22.999 5.144 1.00 72.32 C ATOM 1873 CE2 PHE A 117 1.506 -24.482 6.991 1.00 51.41 C ATOM 1874 CZ PHE A 117 2.096 -23.361 6.448 1.00 32.35 C ATOM 1875 OXT PHE A 117 -2.478 -24.428 6.217 1.00 37.54 O ATOM 0 H PHE A 117 -2.145 -23.123 4.077 1.00 54.45 H new ATOM 0 HA PHE A 117 -2.620 -25.922 3.307 1.00 42.43 H new ATOM 0 HB2 PHE A 117 -0.642 -26.750 4.481 1.00 4.03 H new ATOM 0 HB3 PHE A 117 -0.221 -25.819 3.057 1.00 4.03 H new ATOM 0 HD1 PHE A 117 0.745 -23.464 3.360 1.00 61.25 H new ATOM 0 HD2 PHE A 117 0.179 -26.119 6.668 1.00 62.21 H new ATOM 0 HE1 PHE A 117 2.295 -22.124 4.719 1.00 72.32 H new ATOM 0 HE2 PHE A 117 1.723 -24.766 8.010 1.00 51.41 H new ATOM 0 HZ PHE A 117 2.771 -22.765 7.044 1.00 32.35 H new TER 1885 PHE A 117