USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 803 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 87 SER OG : rot -160:sc= -0.306 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.237 K(o=-0.069,f=0.83) USER MOD Set 2.1: A 86 HIS : no HD1:sc= 0.977 K(o=2.2,f=-1.6) USER MOD Set 2.2: A 91 THR OG1 : rot -90:sc= 1.23 USER MOD Set 3.1: A 46 ASN : amide:sc= -2.54! K(o=-2.5!,f=-1.1) USER MOD Set 3.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -0.852 K(o=-0.86,f=-0.11) USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc=-0.00397 USER MOD Set 5.1: A 14 GLN : amide:sc= 0 X(o=-0.37,f=-0.44) USER MOD Set 5.2: A 17 MET CE :methyl -140:sc= -0.369 (180deg=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00398 X(o=-0.004,f=-0.0055) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.0605 X(o=-0.061,f=-0.14) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00118 USER MOD Single : A 27 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.012) USER MOD Single : A 33 HIS : no HE2:sc= -0.394 X(o=-0.39,f=-0.87) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 44 HIS : no HD1:sc= 0.214 K(o=0.21,f=-2.5) USER MOD Single : A 56 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0479 (180deg=-0.191) USER MOD Single : A 72 LYS NZ :NH3+ -117:sc= -0.607 (180deg=-1.12) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.26! K(o=-3.3!,f=-1) USER MOD Single : A 93 THR OG1 : rot 33:sc= 0.392 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.282 -15.468 -46.326 1.00 54.35 N ATOM 2 CA MET A 1 20.321 -14.571 -45.773 1.00 41.02 C ATOM 3 C MET A 1 19.659 -13.302 -45.207 1.00 33.24 C ATOM 4 O MET A 1 19.075 -12.511 -45.961 1.00 73.23 O ATOM 5 CB MET A 1 21.366 -14.206 -46.863 1.00 51.03 C ATOM 6 CG MET A 1 22.605 -13.467 -46.330 1.00 51.02 C ATOM 7 SD MET A 1 23.513 -14.472 -45.124 1.00 62.30 S ATOM 8 CE MET A 1 24.881 -13.394 -44.691 1.00 14.15 C ATOM 0 H1 MET A 1 19.731 -16.325 -46.708 1.00 54.35 H new ATOM 0 H2 MET A 1 18.615 -15.733 -45.573 1.00 54.35 H new ATOM 0 H3 MET A 1 18.769 -14.978 -47.086 1.00 54.35 H new ATOM 0 HA MET A 1 20.844 -15.087 -44.968 1.00 41.02 H new ATOM 0 HB2 MET A 1 21.689 -15.120 -47.361 1.00 51.03 H new ATOM 0 HB3 MET A 1 20.884 -13.585 -47.618 1.00 51.03 H new ATOM 0 HG2 MET A 1 23.263 -13.212 -47.161 1.00 51.02 H new ATOM 0 HG3 MET A 1 22.299 -12.529 -45.866 1.00 51.02 H new ATOM 0 HE1 MET A 1 25.517 -13.890 -43.958 1.00 14.15 H new ATOM 0 HE2 MET A 1 25.464 -13.170 -45.584 1.00 14.15 H new ATOM 0 HE3 MET A 1 24.494 -12.467 -44.268 1.00 14.15 H new ATOM 20 N GLY A 2 19.739 -13.133 -43.876 1.00 62.43 N ATOM 21 CA GLY A 2 19.151 -11.991 -43.189 1.00 13.40 C ATOM 22 C GLY A 2 18.984 -12.271 -41.707 1.00 50.14 C ATOM 23 O GLY A 2 17.888 -12.612 -41.249 1.00 14.43 O ATOM 0 H GLY A 2 20.214 -13.788 -43.255 1.00 62.43 H new ATOM 0 HA2 GLY A 2 19.784 -11.114 -43.327 1.00 13.40 H new ATOM 0 HA3 GLY A 2 18.182 -11.757 -43.630 1.00 13.40 H new ATOM 27 N HIS A 3 20.086 -12.138 -40.952 1.00 23.12 N ATOM 28 CA HIS A 3 20.115 -12.423 -39.505 1.00 51.41 C ATOM 29 C HIS A 3 19.493 -11.261 -38.707 1.00 34.25 C ATOM 30 O HIS A 3 19.310 -10.154 -39.230 1.00 63.52 O ATOM 31 CB HIS A 3 21.568 -12.687 -39.032 1.00 64.41 C ATOM 32 CG HIS A 3 22.220 -13.892 -39.652 1.00 53.14 C ATOM 33 ND1 HIS A 3 22.125 -15.157 -39.111 1.00 20.23 N ATOM 34 CD2 HIS A 3 22.980 -14.022 -40.764 1.00 41.04 C ATOM 35 CE1 HIS A 3 22.793 -16.007 -39.864 1.00 51.20 C ATOM 36 NE2 HIS A 3 23.316 -15.344 -40.871 1.00 41.14 N ATOM 0 H HIS A 3 20.984 -11.830 -41.326 1.00 23.12 H new ATOM 0 HA HIS A 3 19.522 -13.320 -39.323 1.00 51.41 H new ATOM 0 HB2 HIS A 3 22.174 -11.808 -39.254 1.00 64.41 H new ATOM 0 HB3 HIS A 3 21.567 -12.808 -37.949 1.00 64.41 H new ATOM 0 HD2 HIS A 3 23.267 -13.231 -41.440 1.00 41.04 H new ATOM 0 HE1 HIS A 3 22.894 -17.067 -39.684 1.00 51.20 H new ATOM 0 HE2 HIS A 3 23.883 -15.751 -41.615 1.00 41.14 H new ATOM 45 N HIS A 4 19.158 -11.541 -37.438 1.00 33.34 N ATOM 46 CA HIS A 4 18.551 -10.560 -36.516 1.00 3.31 C ATOM 47 C HIS A 4 19.507 -10.335 -35.334 1.00 74.30 C ATOM 48 O HIS A 4 19.863 -11.290 -34.634 1.00 14.51 O ATOM 49 CB HIS A 4 17.174 -11.061 -35.994 1.00 73.32 C ATOM 50 CG HIS A 4 16.139 -11.320 -37.066 1.00 34.33 C ATOM 51 ND1 HIS A 4 14.970 -10.596 -37.173 1.00 4.32 N ATOM 52 CD2 HIS A 4 16.076 -12.262 -38.042 1.00 4.34 C ATOM 53 CE1 HIS A 4 14.240 -11.079 -38.157 1.00 52.43 C ATOM 54 NE2 HIS A 4 14.889 -12.086 -38.699 1.00 61.22 N ATOM 0 H HIS A 4 19.300 -12.459 -37.017 1.00 33.34 H new ATOM 0 HA HIS A 4 18.386 -9.625 -37.051 1.00 3.31 H new ATOM 0 HB2 HIS A 4 17.329 -11.981 -35.430 1.00 73.32 H new ATOM 0 HB3 HIS A 4 16.776 -10.323 -35.297 1.00 73.32 H new ATOM 0 HD2 HIS A 4 16.824 -13.011 -38.259 1.00 4.34 H new ATOM 0 HE1 HIS A 4 13.273 -10.711 -38.466 1.00 52.43 H new ATOM 0 HE2 HIS A 4 14.560 -12.647 -39.485 1.00 61.22 H new ATOM 63 N HIS A 5 19.939 -9.082 -35.144 1.00 55.20 N ATOM 64 CA HIS A 5 20.778 -8.688 -34.000 1.00 73.21 C ATOM 65 C HIS A 5 19.886 -8.437 -32.772 1.00 42.10 C ATOM 66 O HIS A 5 18.851 -7.767 -32.877 1.00 32.12 O ATOM 67 CB HIS A 5 21.614 -7.421 -34.342 1.00 31.31 C ATOM 68 CG HIS A 5 22.618 -7.621 -35.457 1.00 64.21 C ATOM 69 ND1 HIS A 5 22.821 -6.711 -36.477 1.00 61.40 N ATOM 70 CD2 HIS A 5 23.510 -8.615 -35.679 1.00 5.35 C ATOM 71 CE1 HIS A 5 23.787 -7.138 -37.262 1.00 50.24 C ATOM 72 NE2 HIS A 5 24.217 -8.288 -36.798 1.00 53.24 N ATOM 0 H HIS A 5 19.719 -8.313 -35.776 1.00 55.20 H new ATOM 0 HA HIS A 5 21.475 -9.495 -33.774 1.00 73.21 H new ATOM 0 HB2 HIS A 5 20.934 -6.616 -34.621 1.00 31.31 H new ATOM 0 HB3 HIS A 5 22.143 -7.096 -33.446 1.00 31.31 H new ATOM 0 HD2 HIS A 5 23.638 -9.504 -35.079 1.00 5.35 H new ATOM 0 HE1 HIS A 5 24.162 -6.629 -38.138 1.00 50.24 H new ATOM 0 HE2 HIS A 5 24.963 -8.849 -37.210 1.00 53.24 H new ATOM 81 N HIS A 6 20.288 -8.998 -31.626 1.00 71.11 N ATOM 82 CA HIS A 6 19.562 -8.862 -30.357 1.00 34.42 C ATOM 83 C HIS A 6 20.567 -8.967 -29.205 1.00 4.53 C ATOM 84 O HIS A 6 20.951 -10.071 -28.805 1.00 61.13 O ATOM 85 CB HIS A 6 18.454 -9.949 -30.238 1.00 60.45 C ATOM 86 CG HIS A 6 17.588 -9.825 -29.004 1.00 21.52 C ATOM 87 ND1 HIS A 6 16.406 -9.123 -28.984 1.00 73.40 N ATOM 88 CD2 HIS A 6 17.741 -10.317 -27.749 1.00 14.43 C ATOM 89 CE1 HIS A 6 15.877 -9.186 -27.780 1.00 3.31 C ATOM 90 NE2 HIS A 6 16.665 -9.904 -27.014 1.00 3.42 N ATOM 0 H HIS A 6 21.133 -9.564 -31.552 1.00 71.11 H new ATOM 0 HA HIS A 6 19.067 -7.892 -30.316 1.00 34.42 H new ATOM 0 HB2 HIS A 6 17.817 -9.899 -31.121 1.00 60.45 H new ATOM 0 HB3 HIS A 6 18.925 -10.932 -30.240 1.00 60.45 H new ATOM 0 HD2 HIS A 6 18.562 -10.923 -27.396 1.00 14.43 H new ATOM 0 HE1 HIS A 6 14.950 -8.724 -27.474 1.00 3.31 H new ATOM 0 HE2 HIS A 6 16.501 -10.119 -26.030 1.00 3.42 H new ATOM 99 N HIS A 7 21.006 -7.811 -28.700 1.00 24.41 N ATOM 100 CA HIS A 7 21.984 -7.743 -27.604 1.00 10.13 C ATOM 101 C HIS A 7 21.272 -7.947 -26.258 1.00 41.23 C ATOM 102 O HIS A 7 20.221 -7.348 -26.011 1.00 51.02 O ATOM 103 CB HIS A 7 22.727 -6.386 -27.618 1.00 34.53 C ATOM 104 CG HIS A 7 23.425 -6.094 -28.916 1.00 74.24 C ATOM 105 ND1 HIS A 7 23.090 -5.041 -29.734 1.00 35.25 N ATOM 106 CD2 HIS A 7 24.440 -6.731 -29.534 1.00 14.44 C ATOM 107 CE1 HIS A 7 23.861 -5.049 -30.796 1.00 12.21 C ATOM 108 NE2 HIS A 7 24.689 -6.064 -30.700 1.00 61.01 N ATOM 0 H HIS A 7 20.697 -6.899 -29.035 1.00 24.41 H new ATOM 0 HA HIS A 7 22.720 -8.535 -27.742 1.00 10.13 H new ATOM 0 HB2 HIS A 7 22.013 -5.589 -27.412 1.00 34.53 H new ATOM 0 HB3 HIS A 7 23.460 -6.374 -26.811 1.00 34.53 H new ATOM 0 HD2 HIS A 7 24.960 -7.606 -29.174 1.00 14.44 H new ATOM 0 HE1 HIS A 7 23.821 -4.341 -31.611 1.00 12.21 H new ATOM 0 HE2 HIS A 7 25.402 -6.314 -31.385 1.00 61.01 H new ATOM 117 N HIS A 8 21.837 -8.817 -25.414 1.00 24.25 N ATOM 118 CA HIS A 8 21.335 -9.053 -24.050 1.00 41.14 C ATOM 119 C HIS A 8 22.038 -8.086 -23.093 1.00 31.11 C ATOM 120 O HIS A 8 23.274 -7.995 -23.105 1.00 41.42 O ATOM 121 CB HIS A 8 21.579 -10.524 -23.623 1.00 72.35 C ATOM 122 CG HIS A 8 20.840 -11.517 -24.481 1.00 65.30 C ATOM 123 ND1 HIS A 8 21.466 -12.434 -25.291 1.00 31.45 N ATOM 124 CD2 HIS A 8 19.513 -11.736 -24.636 1.00 72.43 C ATOM 125 CE1 HIS A 8 20.559 -13.160 -25.910 1.00 1.44 C ATOM 126 NE2 HIS A 8 19.368 -12.760 -25.527 1.00 61.14 N ATOM 0 H HIS A 8 22.654 -9.378 -25.654 1.00 24.25 H new ATOM 0 HA HIS A 8 20.260 -8.877 -24.021 1.00 41.14 H new ATOM 0 HB2 HIS A 8 22.647 -10.737 -23.668 1.00 72.35 H new ATOM 0 HB3 HIS A 8 21.273 -10.651 -22.585 1.00 72.35 H new ATOM 0 HD2 HIS A 8 18.715 -11.199 -24.145 1.00 72.43 H new ATOM 0 HE1 HIS A 8 20.761 -13.953 -26.615 1.00 1.44 H new ATOM 0 HE2 HIS A 8 18.480 -13.150 -25.843 1.00 61.14 H new ATOM 135 N GLU A 9 21.253 -7.345 -22.297 1.00 50.03 N ATOM 136 CA GLU A 9 21.797 -6.365 -21.345 1.00 34.02 C ATOM 137 C GLU A 9 22.349 -7.073 -20.108 1.00 42.14 C ATOM 138 O GLU A 9 21.886 -8.162 -19.746 1.00 41.12 O ATOM 139 CB GLU A 9 20.721 -5.317 -20.947 1.00 50.22 C ATOM 140 CG GLU A 9 20.068 -4.597 -22.147 1.00 74.32 C ATOM 141 CD GLU A 9 21.089 -3.997 -23.141 1.00 22.40 C ATOM 142 OE1 GLU A 9 21.707 -2.957 -22.821 1.00 55.31 O ATOM 143 OE2 GLU A 9 21.277 -4.571 -24.241 1.00 22.14 O ATOM 0 H GLU A 9 20.235 -7.406 -22.294 1.00 50.03 H new ATOM 0 HA GLU A 9 22.615 -5.834 -21.833 1.00 34.02 H new ATOM 0 HB2 GLU A 9 19.943 -5.813 -20.367 1.00 50.22 H new ATOM 0 HB3 GLU A 9 21.178 -4.572 -20.295 1.00 50.22 H new ATOM 0 HG2 GLU A 9 19.428 -5.302 -22.678 1.00 74.32 H new ATOM 0 HG3 GLU A 9 19.424 -3.800 -21.775 1.00 74.32 H new ATOM 150 N ASN A 10 23.344 -6.443 -19.471 1.00 62.41 N ATOM 151 CA ASN A 10 23.964 -6.973 -18.247 1.00 30.01 C ATOM 152 C ASN A 10 22.962 -6.903 -17.079 1.00 64.11 C ATOM 153 O ASN A 10 22.071 -6.043 -17.059 1.00 75.44 O ATOM 154 CB ASN A 10 25.261 -6.196 -17.903 1.00 44.54 C ATOM 155 CG ASN A 10 25.015 -4.724 -17.574 1.00 74.03 C ATOM 156 OD1 ASN A 10 24.774 -4.358 -16.420 1.00 71.33 O ATOM 157 ND2 ASN A 10 25.068 -3.864 -18.580 1.00 60.22 N ATOM 0 H ASN A 10 23.741 -5.558 -19.786 1.00 62.41 H new ATOM 0 HA ASN A 10 24.235 -8.015 -18.417 1.00 30.01 H new ATOM 0 HB2 ASN A 10 25.748 -6.674 -17.053 1.00 44.54 H new ATOM 0 HB3 ASN A 10 25.950 -6.263 -18.745 1.00 44.54 H new ATOM 0 HD21 ASN A 10 24.908 -2.871 -18.411 1.00 60.22 H new ATOM 0 HD22 ASN A 10 25.269 -4.195 -19.524 1.00 60.22 H new ATOM 164 N LEU A 11 23.125 -7.809 -16.116 1.00 41.03 N ATOM 165 CA LEU A 11 22.252 -7.902 -14.940 1.00 32.30 C ATOM 166 C LEU A 11 23.119 -8.152 -13.703 1.00 71.41 C ATOM 167 O LEU A 11 23.914 -9.094 -13.677 1.00 31.53 O ATOM 168 CB LEU A 11 21.201 -9.030 -15.118 1.00 72.44 C ATOM 169 CG LEU A 11 20.145 -9.157 -13.972 1.00 11.01 C ATOM 170 CD1 LEU A 11 19.306 -7.869 -13.833 1.00 11.05 C ATOM 171 CD2 LEU A 11 19.254 -10.399 -14.182 1.00 44.22 C ATOM 0 H LEU A 11 23.871 -8.505 -16.127 1.00 41.03 H new ATOM 0 HA LEU A 11 21.705 -6.967 -14.818 1.00 32.30 H new ATOM 0 HB2 LEU A 11 20.673 -8.865 -16.057 1.00 72.44 H new ATOM 0 HB3 LEU A 11 21.727 -9.980 -15.210 1.00 72.44 H new ATOM 0 HG LEU A 11 20.682 -9.290 -13.033 1.00 11.01 H new ATOM 0 HD11 LEU A 11 18.582 -7.992 -13.028 1.00 11.05 H new ATOM 0 HD12 LEU A 11 19.963 -7.030 -13.606 1.00 11.05 H new ATOM 0 HD13 LEU A 11 18.780 -7.675 -14.768 1.00 11.05 H new ATOM 0 HD21 LEU A 11 18.527 -10.466 -13.372 1.00 44.22 H new ATOM 0 HD22 LEU A 11 18.730 -10.314 -15.134 1.00 44.22 H new ATOM 0 HD23 LEU A 11 19.875 -11.295 -14.188 1.00 44.22 H new ATOM 183 N TYR A 12 22.981 -7.277 -12.699 1.00 54.55 N ATOM 184 CA TYR A 12 23.738 -7.359 -11.433 1.00 62.22 C ATOM 185 C TYR A 12 22.779 -7.315 -10.235 1.00 75.14 C ATOM 186 O TYR A 12 21.552 -7.382 -10.408 1.00 65.41 O ATOM 187 CB TYR A 12 24.802 -6.216 -11.379 1.00 22.23 C ATOM 188 CG TYR A 12 25.977 -6.445 -12.343 1.00 52.13 C ATOM 189 CD1 TYR A 12 27.085 -7.208 -11.956 1.00 64.41 C ATOM 190 CD2 TYR A 12 25.971 -5.930 -13.644 1.00 31.02 C ATOM 191 CE1 TYR A 12 28.130 -7.450 -12.829 1.00 55.34 C ATOM 192 CE2 TYR A 12 27.022 -6.167 -14.514 1.00 13.21 C ATOM 193 CZ TYR A 12 28.095 -6.927 -14.103 1.00 64.53 C ATOM 194 OH TYR A 12 29.136 -7.179 -14.977 1.00 52.30 O ATOM 0 H TYR A 12 22.338 -6.486 -12.738 1.00 54.55 H new ATOM 0 HA TYR A 12 24.269 -8.309 -11.384 1.00 62.22 H new ATOM 0 HB2 TYR A 12 24.321 -5.268 -11.619 1.00 22.23 H new ATOM 0 HB3 TYR A 12 25.185 -6.131 -10.362 1.00 22.23 H new ATOM 0 HD1 TYR A 12 27.125 -7.615 -10.957 1.00 64.41 H new ATOM 0 HD2 TYR A 12 25.132 -5.337 -13.976 1.00 31.02 H new ATOM 0 HE1 TYR A 12 28.972 -8.048 -12.513 1.00 55.34 H new ATOM 0 HE2 TYR A 12 27.001 -5.757 -15.513 1.00 13.21 H new ATOM 0 HH TYR A 12 28.957 -6.739 -15.834 1.00 52.30 H new ATOM 204 N PHE A 13 23.367 -7.228 -9.025 1.00 61.01 N ATOM 205 CA PHE A 13 22.632 -7.230 -7.746 1.00 23.53 C ATOM 206 C PHE A 13 21.600 -6.086 -7.679 1.00 42.03 C ATOM 207 O PHE A 13 21.860 -4.970 -8.150 1.00 74.25 O ATOM 208 CB PHE A 13 23.623 -7.136 -6.543 1.00 53.23 C ATOM 209 CG PHE A 13 24.415 -5.825 -6.437 1.00 13.40 C ATOM 210 CD1 PHE A 13 25.471 -5.550 -7.308 1.00 74.32 C ATOM 211 CD2 PHE A 13 24.101 -4.865 -5.464 1.00 31.12 C ATOM 212 CE1 PHE A 13 26.184 -4.371 -7.210 1.00 3.01 C ATOM 213 CE2 PHE A 13 24.819 -3.686 -5.371 1.00 52.51 C ATOM 214 CZ PHE A 13 25.856 -3.439 -6.246 1.00 71.35 C ATOM 0 H PHE A 13 24.378 -7.154 -8.908 1.00 61.01 H new ATOM 0 HA PHE A 13 22.088 -8.172 -7.684 1.00 23.53 H new ATOM 0 HB2 PHE A 13 23.060 -7.275 -5.620 1.00 53.23 H new ATOM 0 HB3 PHE A 13 24.330 -7.962 -6.613 1.00 53.23 H new ATOM 0 HD1 PHE A 13 25.734 -6.269 -8.069 1.00 74.32 H new ATOM 0 HD2 PHE A 13 23.287 -5.049 -4.778 1.00 31.12 H new ATOM 0 HE1 PHE A 13 27.001 -4.178 -7.890 1.00 3.01 H new ATOM 0 HE2 PHE A 13 24.567 -2.959 -4.613 1.00 52.51 H new ATOM 0 HZ PHE A 13 26.412 -2.516 -6.177 1.00 71.35 H new ATOM 224 N GLN A 14 20.436 -6.387 -7.102 1.00 65.32 N ATOM 225 CA GLN A 14 19.376 -5.400 -6.863 1.00 25.24 C ATOM 226 C GLN A 14 19.117 -5.323 -5.353 1.00 62.03 C ATOM 227 O GLN A 14 19.152 -6.352 -4.663 1.00 34.31 O ATOM 228 CB GLN A 14 18.072 -5.798 -7.609 1.00 64.20 C ATOM 229 CG GLN A 14 16.962 -4.723 -7.543 1.00 62.34 C ATOM 230 CD GLN A 14 15.595 -5.234 -7.994 1.00 25.15 C ATOM 231 OE1 GLN A 14 15.244 -5.169 -9.173 1.00 42.50 O ATOM 232 NE2 GLN A 14 14.815 -5.753 -7.056 1.00 62.34 N ATOM 0 H GLN A 14 20.198 -7.327 -6.785 1.00 65.32 H new ATOM 0 HA GLN A 14 19.692 -4.428 -7.241 1.00 25.24 H new ATOM 0 HB2 GLN A 14 18.309 -5.998 -8.654 1.00 64.20 H new ATOM 0 HB3 GLN A 14 17.691 -6.727 -7.185 1.00 64.20 H new ATOM 0 HG2 GLN A 14 16.884 -4.354 -6.520 1.00 62.34 H new ATOM 0 HG3 GLN A 14 17.249 -3.876 -8.167 1.00 62.34 H new ATOM 0 HE21 GLN A 14 15.137 -5.791 -6.089 1.00 62.34 H new ATOM 0 HE22 GLN A 14 13.893 -6.114 -7.301 1.00 62.34 H new ATOM 241 N SER A 15 18.859 -4.111 -4.853 1.00 35.23 N ATOM 242 CA SER A 15 18.521 -3.873 -3.449 1.00 30.24 C ATOM 243 C SER A 15 17.068 -4.315 -3.154 1.00 24.33 C ATOM 244 O SER A 15 16.276 -4.558 -4.082 1.00 12.44 O ATOM 245 CB SER A 15 18.734 -2.376 -3.130 1.00 2.21 C ATOM 246 OG SER A 15 17.993 -1.549 -4.018 1.00 3.34 O ATOM 0 H SER A 15 18.879 -3.261 -5.417 1.00 35.23 H new ATOM 0 HA SER A 15 19.172 -4.467 -2.807 1.00 30.24 H new ATOM 0 HB2 SER A 15 18.431 -2.174 -2.103 1.00 2.21 H new ATOM 0 HB3 SER A 15 19.794 -2.134 -3.203 1.00 2.21 H new ATOM 0 HG SER A 15 18.145 -0.608 -3.792 1.00 3.34 H new ATOM 252 N HIS A 16 16.731 -4.413 -1.854 1.00 4.22 N ATOM 253 CA HIS A 16 15.376 -4.780 -1.382 1.00 63.33 C ATOM 254 C HIS A 16 14.331 -3.679 -1.703 1.00 52.32 C ATOM 255 O HIS A 16 13.126 -3.943 -1.646 1.00 54.40 O ATOM 256 CB HIS A 16 15.395 -5.107 0.144 1.00 61.20 C ATOM 257 CG HIS A 16 16.067 -4.091 1.042 1.00 43.20 C ATOM 258 ND1 HIS A 16 16.755 -4.437 2.189 1.00 63.22 N ATOM 259 CD2 HIS A 16 16.144 -2.735 0.982 1.00 43.43 C ATOM 260 CE1 HIS A 16 17.207 -3.351 2.777 1.00 32.12 C ATOM 261 NE2 HIS A 16 16.854 -2.312 2.065 1.00 43.10 N ATOM 0 H HIS A 16 17.391 -4.240 -1.096 1.00 4.22 H new ATOM 0 HA HIS A 16 15.072 -5.676 -1.924 1.00 63.33 H new ATOM 0 HB2 HIS A 16 14.365 -5.231 0.480 1.00 61.20 H new ATOM 0 HB3 HIS A 16 15.893 -6.067 0.281 1.00 61.20 H new ATOM 0 HD2 HIS A 16 15.719 -2.106 0.214 1.00 43.43 H new ATOM 0 HE1 HIS A 16 17.775 -3.322 3.695 1.00 32.12 H new ATOM 0 HE2 HIS A 16 17.075 -1.341 2.285 1.00 43.10 H new ATOM 270 N MET A 17 14.828 -2.443 -1.995 1.00 44.00 N ATOM 271 CA MET A 17 14.011 -1.284 -2.445 1.00 50.42 C ATOM 272 C MET A 17 13.008 -0.805 -1.368 1.00 23.21 C ATOM 273 O MET A 17 12.132 0.002 -1.670 1.00 4.53 O ATOM 274 CB MET A 17 13.261 -1.607 -3.780 1.00 54.11 C ATOM 275 CG MET A 17 14.163 -2.010 -4.961 1.00 34.43 C ATOM 276 SD MET A 17 13.222 -2.506 -6.427 1.00 54.40 S ATOM 277 CE MET A 17 12.268 -3.898 -5.803 1.00 33.34 C ATOM 0 H MET A 17 15.822 -2.224 -1.922 1.00 44.00 H new ATOM 0 HA MET A 17 14.710 -0.466 -2.621 1.00 50.42 H new ATOM 0 HB2 MET A 17 12.553 -2.414 -3.593 1.00 54.11 H new ATOM 0 HB3 MET A 17 12.679 -0.733 -4.071 1.00 54.11 H new ATOM 0 HG2 MET A 17 14.812 -1.173 -5.218 1.00 34.43 H new ATOM 0 HG3 MET A 17 14.809 -2.833 -4.654 1.00 34.43 H new ATOM 0 HE1 MET A 17 12.232 -4.683 -6.559 1.00 33.34 H new ATOM 0 HE2 MET A 17 12.739 -4.286 -4.900 1.00 33.34 H new ATOM 0 HE3 MET A 17 11.254 -3.570 -5.572 1.00 33.34 H new ATOM 287 N THR A 18 13.182 -1.248 -0.105 1.00 30.33 N ATOM 288 CA THR A 18 12.231 -0.942 0.992 1.00 34.41 C ATOM 289 C THR A 18 12.176 0.574 1.304 1.00 61.31 C ATOM 290 O THR A 18 11.241 1.046 1.956 1.00 44.35 O ATOM 291 CB THR A 18 12.587 -1.740 2.289 1.00 33.14 C ATOM 292 OG1 THR A 18 13.931 -1.438 2.682 1.00 21.30 O ATOM 293 CG2 THR A 18 12.436 -3.262 2.094 1.00 60.22 C ATOM 0 H THR A 18 13.975 -1.821 0.184 1.00 30.33 H new ATOM 0 HA THR A 18 11.245 -1.253 0.647 1.00 34.41 H new ATOM 0 HB THR A 18 11.887 -1.436 3.067 1.00 33.14 H new ATOM 0 HG1 THR A 18 14.154 -1.937 3.496 1.00 21.30 H new ATOM 0 HG21 THR A 18 12.694 -3.775 3.021 1.00 60.22 H new ATOM 0 HG22 THR A 18 11.405 -3.494 1.825 1.00 60.22 H new ATOM 0 HG23 THR A 18 13.102 -3.595 1.298 1.00 60.22 H new ATOM 301 N ASP A 19 13.184 1.327 0.846 1.00 34.50 N ATOM 302 CA ASP A 19 13.214 2.791 0.976 1.00 21.22 C ATOM 303 C ASP A 19 12.462 3.445 -0.209 1.00 32.42 C ATOM 304 O ASP A 19 11.496 4.172 0.007 1.00 15.34 O ATOM 305 CB ASP A 19 14.691 3.301 1.083 1.00 33.33 C ATOM 306 CG ASP A 19 15.581 3.019 -0.146 1.00 55.03 C ATOM 307 OD1 ASP A 19 15.524 1.896 -0.690 1.00 13.33 O ATOM 308 OD2 ASP A 19 16.369 3.899 -0.556 1.00 42.32 O ATOM 0 H ASP A 19 14.002 0.940 0.375 1.00 34.50 H new ATOM 0 HA ASP A 19 12.703 3.081 1.894 1.00 21.22 H new ATOM 0 HB2 ASP A 19 14.674 4.377 1.258 1.00 33.33 H new ATOM 0 HB3 ASP A 19 15.153 2.843 1.957 1.00 33.33 H new ATOM 313 N GLU A 20 12.876 3.113 -1.453 1.00 2.13 N ATOM 314 CA GLU A 20 12.396 3.780 -2.689 1.00 21.42 C ATOM 315 C GLU A 20 10.999 3.299 -3.096 1.00 25.44 C ATOM 316 O GLU A 20 10.089 4.116 -3.268 1.00 71.21 O ATOM 317 CB GLU A 20 13.399 3.545 -3.850 1.00 32.31 C ATOM 318 CG GLU A 20 14.766 4.228 -3.665 1.00 31.21 C ATOM 319 CD GLU A 20 14.681 5.768 -3.663 1.00 14.32 C ATOM 320 OE1 GLU A 20 14.631 6.382 -2.585 1.00 3.41 O ATOM 321 OE2 GLU A 20 14.645 6.367 -4.758 1.00 24.34 O ATOM 0 H GLU A 20 13.555 2.373 -1.630 1.00 2.13 H new ATOM 0 HA GLU A 20 12.328 4.847 -2.478 1.00 21.42 H new ATOM 0 HB2 GLU A 20 13.556 2.473 -3.965 1.00 32.31 H new ATOM 0 HB3 GLU A 20 12.951 3.903 -4.777 1.00 32.31 H new ATOM 0 HG2 GLU A 20 15.208 3.894 -2.726 1.00 31.21 H new ATOM 0 HG3 GLU A 20 15.435 3.909 -4.464 1.00 31.21 H new ATOM 328 N LEU A 21 10.849 1.964 -3.254 1.00 71.31 N ATOM 329 CA LEU A 21 9.575 1.329 -3.653 1.00 21.23 C ATOM 330 C LEU A 21 8.454 1.746 -2.700 1.00 12.35 C ATOM 331 O LEU A 21 7.434 2.269 -3.137 1.00 73.54 O ATOM 332 CB LEU A 21 9.714 -0.222 -3.681 1.00 11.14 C ATOM 333 CG LEU A 21 8.405 -1.049 -3.938 1.00 44.24 C ATOM 334 CD1 LEU A 21 7.767 -0.702 -5.300 1.00 13.41 C ATOM 335 CD2 LEU A 21 8.665 -2.568 -3.807 1.00 64.44 C ATOM 0 H LEU A 21 11.608 1.298 -3.108 1.00 71.31 H new ATOM 0 HA LEU A 21 9.324 1.666 -4.659 1.00 21.23 H new ATOM 0 HB2 LEU A 21 10.437 -0.484 -4.453 1.00 11.14 H new ATOM 0 HB3 LEU A 21 10.135 -0.542 -2.728 1.00 11.14 H new ATOM 0 HG LEU A 21 7.688 -0.768 -3.166 1.00 44.24 H new ATOM 0 HD11 LEU A 21 6.863 -1.295 -5.440 1.00 13.41 H new ATOM 0 HD12 LEU A 21 7.512 0.358 -5.323 1.00 13.41 H new ATOM 0 HD13 LEU A 21 8.474 -0.923 -6.100 1.00 13.41 H new ATOM 0 HD21 LEU A 21 7.739 -3.113 -3.991 1.00 64.44 H new ATOM 0 HD22 LEU A 21 9.416 -2.873 -4.536 1.00 64.44 H new ATOM 0 HD23 LEU A 21 9.024 -2.790 -2.802 1.00 64.44 H new ATOM 347 N LEU A 22 8.698 1.572 -1.393 1.00 11.15 N ATOM 348 CA LEU A 22 7.710 1.889 -0.357 1.00 31.21 C ATOM 349 C LEU A 22 7.476 3.406 -0.223 1.00 60.11 C ATOM 350 O LEU A 22 6.397 3.818 0.194 1.00 30.51 O ATOM 351 CB LEU A 22 8.128 1.277 0.995 1.00 55.25 C ATOM 352 CG LEU A 22 8.253 -0.277 1.025 1.00 50.25 C ATOM 353 CD1 LEU A 22 8.627 -0.766 2.433 1.00 12.02 C ATOM 354 CD2 LEU A 22 6.963 -0.962 0.520 1.00 53.22 C ATOM 0 H LEU A 22 9.579 1.210 -1.028 1.00 11.15 H new ATOM 0 HA LEU A 22 6.763 1.445 -0.664 1.00 31.21 H new ATOM 0 HB2 LEU A 22 9.087 1.706 1.286 1.00 55.25 H new ATOM 0 HB3 LEU A 22 7.402 1.579 1.750 1.00 55.25 H new ATOM 0 HG LEU A 22 9.056 -0.558 0.343 1.00 50.25 H new ATOM 0 HD11 LEU A 22 8.709 -1.853 2.431 1.00 12.02 H new ATOM 0 HD12 LEU A 22 9.582 -0.331 2.728 1.00 12.02 H new ATOM 0 HD13 LEU A 22 7.856 -0.462 3.141 1.00 12.02 H new ATOM 0 HD21 LEU A 22 7.088 -2.044 0.555 1.00 53.22 H new ATOM 0 HD22 LEU A 22 6.125 -0.672 1.154 1.00 53.22 H new ATOM 0 HD23 LEU A 22 6.765 -0.653 -0.506 1.00 53.22 H new ATOM 366 N GLU A 23 8.480 4.230 -0.604 1.00 11.54 N ATOM 367 CA GLU A 23 8.331 5.704 -0.616 1.00 32.44 C ATOM 368 C GLU A 23 7.226 6.119 -1.594 1.00 62.32 C ATOM 369 O GLU A 23 6.446 7.026 -1.301 1.00 60.24 O ATOM 370 CB GLU A 23 9.657 6.408 -0.992 1.00 52.32 C ATOM 371 CG GLU A 23 9.611 7.946 -0.926 1.00 12.34 C ATOM 372 CD GLU A 23 10.976 8.591 -1.187 1.00 71.25 C ATOM 373 OE1 GLU A 23 11.676 8.959 -0.222 1.00 74.31 O ATOM 374 OE2 GLU A 23 11.362 8.717 -2.361 1.00 42.52 O ATOM 0 H GLU A 23 9.397 3.901 -0.906 1.00 11.54 H new ATOM 0 HA GLU A 23 8.058 6.015 0.392 1.00 32.44 H new ATOM 0 HB2 GLU A 23 10.443 6.053 -0.325 1.00 52.32 H new ATOM 0 HB3 GLU A 23 9.937 6.110 -2.002 1.00 52.32 H new ATOM 0 HG2 GLU A 23 8.893 8.316 -1.658 1.00 12.34 H new ATOM 0 HG3 GLU A 23 9.251 8.253 0.056 1.00 12.34 H new ATOM 381 N ARG A 24 7.131 5.387 -2.730 1.00 40.22 N ATOM 382 CA ARG A 24 6.091 5.622 -3.751 1.00 71.44 C ATOM 383 C ARG A 24 4.697 5.363 -3.144 1.00 23.32 C ATOM 384 O ARG A 24 3.713 6.004 -3.521 1.00 20.23 O ATOM 385 CB ARG A 24 6.286 4.708 -4.996 1.00 5.31 C ATOM 386 CG ARG A 24 7.737 4.587 -5.515 1.00 14.30 C ATOM 387 CD ARG A 24 8.419 5.940 -5.784 1.00 21.01 C ATOM 388 NE ARG A 24 9.801 5.759 -6.259 1.00 5.03 N ATOM 389 CZ ARG A 24 10.909 6.181 -5.630 1.00 74.30 C ATOM 390 NH1 ARG A 24 10.836 6.837 -4.471 1.00 52.44 N ATOM 391 NH2 ARG A 24 12.090 5.929 -6.166 1.00 61.42 N ATOM 0 H ARG A 24 7.769 4.625 -2.960 1.00 40.22 H new ATOM 0 HA ARG A 24 6.175 6.659 -4.075 1.00 71.44 H new ATOM 0 HB2 ARG A 24 5.922 3.710 -4.752 1.00 5.31 H new ATOM 0 HB3 ARG A 24 5.660 5.087 -5.804 1.00 5.31 H new ATOM 0 HG2 ARG A 24 8.328 4.032 -4.786 1.00 14.30 H new ATOM 0 HG3 ARG A 24 7.736 4.003 -6.435 1.00 14.30 H new ATOM 0 HD2 ARG A 24 7.847 6.496 -6.527 1.00 21.01 H new ATOM 0 HD3 ARG A 24 8.421 6.536 -4.871 1.00 21.01 H new ATOM 0 HE ARG A 24 9.928 5.269 -7.145 1.00 5.03 H new ATOM 0 HH11 ARG A 24 9.927 7.026 -4.048 1.00 52.44 H new ATOM 0 HH12 ARG A 24 11.689 7.150 -4.008 1.00 52.44 H new ATOM 0 HH21 ARG A 24 12.152 5.419 -7.047 1.00 61.42 H new ATOM 0 HH22 ARG A 24 12.940 6.244 -5.698 1.00 61.42 H new ATOM 405 N LEU A 25 4.647 4.423 -2.169 1.00 61.42 N ATOM 406 CA LEU A 25 3.414 4.075 -1.463 1.00 2.30 C ATOM 407 C LEU A 25 3.088 5.141 -0.417 1.00 34.44 C ATOM 408 O LEU A 25 1.941 5.561 -0.317 1.00 25.33 O ATOM 409 CB LEU A 25 3.502 2.661 -0.807 1.00 30.31 C ATOM 410 CG LEU A 25 3.374 1.440 -1.780 1.00 23.43 C ATOM 411 CD1 LEU A 25 2.153 1.594 -2.698 1.00 22.33 C ATOM 412 CD2 LEU A 25 4.655 1.180 -2.597 1.00 43.23 C ATOM 0 H LEU A 25 5.462 3.894 -1.859 1.00 61.42 H new ATOM 0 HA LEU A 25 2.607 4.040 -2.195 1.00 2.30 H new ATOM 0 HB2 LEU A 25 4.455 2.584 -0.284 1.00 30.31 H new ATOM 0 HB3 LEU A 25 2.718 2.583 -0.054 1.00 30.31 H new ATOM 0 HG LEU A 25 3.229 0.560 -1.153 1.00 23.43 H new ATOM 0 HD11 LEU A 25 2.087 0.733 -3.363 1.00 22.33 H new ATOM 0 HD12 LEU A 25 1.248 1.655 -2.093 1.00 22.33 H new ATOM 0 HD13 LEU A 25 2.255 2.503 -3.290 1.00 22.33 H new ATOM 0 HD21 LEU A 25 4.501 0.322 -3.251 1.00 43.23 H new ATOM 0 HD22 LEU A 25 4.887 2.058 -3.199 1.00 43.23 H new ATOM 0 HD23 LEU A 25 5.484 0.976 -1.919 1.00 43.23 H new ATOM 424 N ARG A 26 4.120 5.595 0.328 1.00 30.42 N ATOM 425 CA ARG A 26 3.966 6.598 1.396 1.00 11.23 C ATOM 426 C ARG A 26 3.359 7.887 0.851 1.00 24.43 C ATOM 427 O ARG A 26 2.338 8.348 1.362 1.00 4.11 O ATOM 428 CB ARG A 26 5.325 6.899 2.084 1.00 2.21 C ATOM 429 CG ARG A 26 5.255 7.998 3.177 1.00 73.24 C ATOM 430 CD ARG A 26 6.563 8.166 3.954 1.00 31.33 C ATOM 431 NE ARG A 26 6.912 6.948 4.711 1.00 13.02 N ATOM 432 CZ ARG A 26 8.158 6.562 5.026 1.00 2.52 C ATOM 433 NH1 ARG A 26 9.214 7.283 4.657 1.00 45.34 N ATOM 434 NH2 ARG A 26 8.343 5.446 5.721 1.00 3.32 N ATOM 0 H ARG A 26 5.080 5.275 0.203 1.00 30.42 H new ATOM 0 HA ARG A 26 3.288 6.181 2.141 1.00 11.23 H new ATOM 0 HB2 ARG A 26 5.704 5.980 2.532 1.00 2.21 H new ATOM 0 HB3 ARG A 26 6.045 7.203 1.324 1.00 2.21 H new ATOM 0 HG2 ARG A 26 4.993 8.948 2.711 1.00 73.24 H new ATOM 0 HG3 ARG A 26 4.455 7.755 3.876 1.00 73.24 H new ATOM 0 HD2 ARG A 26 7.369 8.406 3.261 1.00 31.33 H new ATOM 0 HD3 ARG A 26 6.472 9.007 4.641 1.00 31.33 H new ATOM 0 HE ARG A 26 6.144 6.352 5.020 1.00 13.02 H new ATOM 0 HH11 ARG A 26 9.083 8.144 4.126 1.00 45.34 H new ATOM 0 HH12 ARG A 26 10.154 6.975 4.905 1.00 45.34 H new ATOM 0 HH21 ARG A 26 7.541 4.888 6.012 1.00 3.32 H new ATOM 0 HH22 ARG A 26 9.288 5.147 5.964 1.00 3.32 H new ATOM 448 N GLN A 27 3.970 8.409 -0.231 1.00 24.43 N ATOM 449 CA GLN A 27 3.541 9.657 -0.871 1.00 40.33 C ATOM 450 C GLN A 27 2.089 9.543 -1.367 1.00 44.43 C ATOM 451 O GLN A 27 1.302 10.472 -1.210 1.00 71.11 O ATOM 452 CB GLN A 27 4.474 10.030 -2.054 1.00 61.14 C ATOM 453 CG GLN A 27 5.975 10.163 -1.714 1.00 34.30 C ATOM 454 CD GLN A 27 6.280 11.147 -0.587 1.00 72.11 C ATOM 455 OE1 GLN A 27 6.438 12.347 -0.817 1.00 32.21 O ATOM 456 NE2 GLN A 27 6.413 10.641 0.628 1.00 12.44 N ATOM 0 H GLN A 27 4.774 7.973 -0.682 1.00 24.43 H new ATOM 0 HA GLN A 27 3.599 10.447 -0.123 1.00 40.33 H new ATOM 0 HB2 GLN A 27 4.363 9.274 -2.831 1.00 61.14 H new ATOM 0 HB3 GLN A 27 4.132 10.975 -2.477 1.00 61.14 H new ATOM 0 HG2 GLN A 27 6.361 9.182 -1.438 1.00 34.30 H new ATOM 0 HG3 GLN A 27 6.512 10.477 -2.609 1.00 34.30 H new ATOM 0 HE21 GLN A 27 6.275 9.642 0.782 1.00 12.44 H new ATOM 0 HE22 GLN A 27 6.654 11.250 1.410 1.00 12.44 H new ATOM 465 N LEU A 28 1.742 8.366 -1.923 1.00 72.04 N ATOM 466 CA LEU A 28 0.397 8.091 -2.455 1.00 42.23 C ATOM 467 C LEU A 28 -0.646 8.059 -1.316 1.00 21.42 C ATOM 468 O LEU A 28 -1.734 8.642 -1.434 1.00 61.02 O ATOM 469 CB LEU A 28 0.398 6.751 -3.235 1.00 14.10 C ATOM 470 CG LEU A 28 -0.944 6.360 -3.936 1.00 61.21 C ATOM 471 CD1 LEU A 28 -1.402 7.453 -4.924 1.00 20.13 C ATOM 472 CD2 LEU A 28 -0.823 4.995 -4.636 1.00 64.34 C ATOM 0 H LEU A 28 2.387 7.581 -2.015 1.00 72.04 H new ATOM 0 HA LEU A 28 0.122 8.893 -3.140 1.00 42.23 H new ATOM 0 HB2 LEU A 28 1.180 6.796 -3.993 1.00 14.10 H new ATOM 0 HB3 LEU A 28 0.669 5.953 -2.544 1.00 14.10 H new ATOM 0 HG LEU A 28 -1.708 6.275 -3.163 1.00 61.21 H new ATOM 0 HD11 LEU A 28 -2.338 7.150 -5.394 1.00 20.13 H new ATOM 0 HD12 LEU A 28 -1.553 8.389 -4.387 1.00 20.13 H new ATOM 0 HD13 LEU A 28 -0.640 7.593 -5.690 1.00 20.13 H new ATOM 0 HD21 LEU A 28 -1.770 4.747 -5.115 1.00 64.34 H new ATOM 0 HD22 LEU A 28 -0.036 5.041 -5.389 1.00 64.34 H new ATOM 0 HD23 LEU A 28 -0.577 4.229 -3.900 1.00 64.34 H new ATOM 484 N PHE A 29 -0.283 7.409 -0.194 1.00 72.13 N ATOM 485 CA PHE A 29 -1.150 7.319 0.994 1.00 41.12 C ATOM 486 C PHE A 29 -1.307 8.690 1.661 1.00 42.00 C ATOM 487 O PHE A 29 -2.275 8.911 2.371 1.00 20.00 O ATOM 488 CB PHE A 29 -0.601 6.307 2.031 1.00 62.24 C ATOM 489 CG PHE A 29 -0.453 4.866 1.548 1.00 41.15 C ATOM 490 CD1 PHE A 29 -1.320 4.323 0.603 1.00 63.54 C ATOM 491 CD2 PHE A 29 0.568 4.056 2.044 1.00 64.53 C ATOM 492 CE1 PHE A 29 -1.165 3.023 0.172 1.00 62.23 C ATOM 493 CE2 PHE A 29 0.717 2.758 1.607 1.00 74.33 C ATOM 494 CZ PHE A 29 -0.146 2.242 0.674 1.00 65.32 C ATOM 0 H PHE A 29 0.614 6.935 -0.087 1.00 72.13 H new ATOM 0 HA PHE A 29 -2.123 6.969 0.649 1.00 41.12 H new ATOM 0 HB2 PHE A 29 0.374 6.657 2.370 1.00 62.24 H new ATOM 0 HB3 PHE A 29 -1.261 6.312 2.899 1.00 62.24 H new ATOM 0 HD1 PHE A 29 -2.122 4.927 0.204 1.00 63.54 H new ATOM 0 HD2 PHE A 29 1.251 4.452 2.781 1.00 64.53 H new ATOM 0 HE1 PHE A 29 -1.844 2.615 -0.562 1.00 62.23 H new ATOM 0 HE2 PHE A 29 1.515 2.145 2.000 1.00 74.33 H new ATOM 0 HZ PHE A 29 -0.027 1.224 0.333 1.00 65.32 H new ATOM 504 N GLU A 30 -0.322 9.590 1.441 1.00 64.22 N ATOM 505 CA GLU A 30 -0.368 10.986 1.929 1.00 64.32 C ATOM 506 C GLU A 30 -1.283 11.848 1.045 1.00 40.41 C ATOM 507 O GLU A 30 -1.945 12.765 1.544 1.00 14.13 O ATOM 508 CB GLU A 30 1.053 11.590 2.034 1.00 61.41 C ATOM 509 CG GLU A 30 1.937 10.937 3.114 1.00 23.20 C ATOM 510 CD GLU A 30 3.322 11.576 3.201 1.00 15.23 C ATOM 511 OE1 GLU A 30 3.502 12.523 4.001 1.00 43.13 O ATOM 512 OE2 GLU A 30 4.232 11.160 2.460 1.00 52.14 O ATOM 0 H GLU A 30 0.527 9.368 0.920 1.00 64.22 H new ATOM 0 HA GLU A 30 -0.792 10.977 2.933 1.00 64.32 H new ATOM 0 HB2 GLU A 30 1.549 11.495 1.068 1.00 61.41 H new ATOM 0 HB3 GLU A 30 0.968 12.656 2.245 1.00 61.41 H new ATOM 0 HG2 GLU A 30 1.442 11.017 4.082 1.00 23.20 H new ATOM 0 HG3 GLU A 30 2.044 9.874 2.898 1.00 23.20 H new ATOM 519 N GLU A 31 -1.341 11.517 -0.262 1.00 43.33 N ATOM 520 CA GLU A 31 -2.326 12.110 -1.200 1.00 41.33 C ATOM 521 C GLU A 31 -3.753 11.743 -0.750 1.00 72.02 C ATOM 522 O GLU A 31 -4.694 12.513 -0.912 1.00 51.21 O ATOM 523 CB GLU A 31 -2.085 11.602 -2.650 1.00 1.43 C ATOM 524 CG GLU A 31 -0.702 11.944 -3.241 1.00 1.45 C ATOM 525 CD GLU A 31 -0.494 13.451 -3.478 1.00 43.33 C ATOM 526 OE1 GLU A 31 0.065 14.146 -2.610 1.00 3.15 O ATOM 527 OE2 GLU A 31 -0.882 13.944 -4.551 1.00 3.15 O ATOM 0 H GLU A 31 -0.715 10.839 -0.696 1.00 43.33 H new ATOM 0 HA GLU A 31 -2.205 13.193 -1.191 1.00 41.33 H new ATOM 0 HB2 GLU A 31 -2.212 10.520 -2.665 1.00 1.43 H new ATOM 0 HB3 GLU A 31 -2.854 12.022 -3.298 1.00 1.43 H new ATOM 0 HG2 GLU A 31 0.073 11.579 -2.567 1.00 1.45 H new ATOM 0 HG3 GLU A 31 -0.578 11.415 -4.186 1.00 1.45 H new ATOM 534 N LEU A 32 -3.887 10.534 -0.197 1.00 23.22 N ATOM 535 CA LEU A 32 -5.163 10.022 0.328 1.00 3.15 C ATOM 536 C LEU A 32 -5.383 10.433 1.813 1.00 70.40 C ATOM 537 O LEU A 32 -6.525 10.533 2.273 1.00 13.41 O ATOM 538 CB LEU A 32 -5.163 8.484 0.147 1.00 3.52 C ATOM 539 CG LEU A 32 -4.927 7.994 -1.324 1.00 42.50 C ATOM 540 CD1 LEU A 32 -4.747 6.466 -1.406 1.00 51.22 C ATOM 541 CD2 LEU A 32 -6.050 8.483 -2.262 1.00 43.21 C ATOM 0 H LEU A 32 -3.112 9.878 -0.099 1.00 23.22 H new ATOM 0 HA LEU A 32 -5.995 10.459 -0.223 1.00 3.15 H new ATOM 0 HB2 LEU A 32 -4.389 8.057 0.785 1.00 3.52 H new ATOM 0 HB3 LEU A 32 -6.118 8.091 0.497 1.00 3.52 H new ATOM 0 HG LEU A 32 -3.992 8.439 -1.664 1.00 42.50 H new ATOM 0 HD11 LEU A 32 -4.586 6.174 -2.444 1.00 51.22 H new ATOM 0 HD12 LEU A 32 -3.886 6.168 -0.808 1.00 51.22 H new ATOM 0 HD13 LEU A 32 -5.641 5.973 -1.025 1.00 51.22 H new ATOM 0 HD21 LEU A 32 -5.859 8.128 -3.275 1.00 43.21 H new ATOM 0 HD22 LEU A 32 -7.008 8.095 -1.916 1.00 43.21 H new ATOM 0 HD23 LEU A 32 -6.078 9.573 -2.259 1.00 43.21 H new ATOM 553 N HIS A 33 -4.276 10.707 2.534 1.00 12.12 N ATOM 554 CA HIS A 33 -4.292 11.047 3.983 1.00 11.52 C ATOM 555 C HIS A 33 -5.030 12.366 4.252 1.00 35.12 C ATOM 556 O HIS A 33 -5.674 12.520 5.300 1.00 14.51 O ATOM 557 CB HIS A 33 -2.840 11.104 4.545 1.00 4.02 C ATOM 558 CG HIS A 33 -2.719 11.526 5.986 1.00 51.22 C ATOM 559 ND1 HIS A 33 -3.248 10.805 7.031 1.00 55.25 N ATOM 560 CD2 HIS A 33 -2.138 12.614 6.547 1.00 14.50 C ATOM 561 CE1 HIS A 33 -3.011 11.435 8.164 1.00 51.52 C ATOM 562 NE2 HIS A 33 -2.339 12.528 7.895 1.00 42.21 N ATOM 0 H HIS A 33 -3.339 10.700 2.131 1.00 12.12 H new ATOM 0 HA HIS A 33 -4.838 10.258 4.500 1.00 11.52 H new ATOM 0 HB2 HIS A 33 -2.387 10.119 4.434 1.00 4.02 H new ATOM 0 HB3 HIS A 33 -2.259 11.793 3.933 1.00 4.02 H new ATOM 0 HD1 HIS A 33 -3.747 9.920 6.943 1.00 55.25 H new ATOM 0 HD2 HIS A 33 -1.614 13.402 6.026 1.00 14.50 H new ATOM 0 HE1 HIS A 33 -3.318 11.107 9.146 1.00 51.52 H new ATOM 571 N GLU A 34 -4.948 13.299 3.287 1.00 53.12 N ATOM 572 CA GLU A 34 -5.588 14.629 3.394 1.00 42.41 C ATOM 573 C GLU A 34 -7.127 14.508 3.481 1.00 30.13 C ATOM 574 O GLU A 34 -7.790 15.340 4.103 1.00 11.22 O ATOM 575 CB GLU A 34 -5.192 15.525 2.184 1.00 41.21 C ATOM 576 CG GLU A 34 -5.683 15.006 0.816 1.00 70.24 C ATOM 577 CD GLU A 34 -5.327 15.938 -0.348 1.00 22.13 C ATOM 578 OE1 GLU A 34 -6.077 16.912 -0.592 1.00 72.51 O ATOM 579 OE2 GLU A 34 -4.305 15.703 -1.034 1.00 73.30 O ATOM 0 H GLU A 34 -4.440 13.157 2.414 1.00 53.12 H new ATOM 0 HA GLU A 34 -5.231 15.094 4.313 1.00 42.41 H new ATOM 0 HB2 GLU A 34 -5.592 16.526 2.343 1.00 41.21 H new ATOM 0 HB3 GLU A 34 -4.106 15.616 2.155 1.00 41.21 H new ATOM 0 HG2 GLU A 34 -5.250 14.023 0.631 1.00 70.24 H new ATOM 0 HG3 GLU A 34 -6.765 14.876 0.851 1.00 70.24 H new ATOM 586 N ARG A 35 -7.678 13.434 2.875 1.00 12.21 N ATOM 587 CA ARG A 35 -9.138 13.223 2.771 1.00 51.01 C ATOM 588 C ARG A 35 -9.577 12.019 3.622 1.00 50.51 C ATOM 589 O ARG A 35 -10.780 11.802 3.808 1.00 30.51 O ATOM 590 CB ARG A 35 -9.522 13.042 1.278 1.00 62.12 C ATOM 591 CG ARG A 35 -8.852 11.837 0.577 1.00 70.25 C ATOM 592 CD ARG A 35 -8.745 12.010 -0.944 1.00 15.33 C ATOM 593 NE ARG A 35 -10.051 12.236 -1.587 1.00 65.11 N ATOM 594 CZ ARG A 35 -10.257 12.992 -2.679 1.00 50.12 C ATOM 595 NH1 ARG A 35 -9.246 13.618 -3.279 1.00 44.22 N ATOM 596 NH2 ARG A 35 -11.481 13.113 -3.176 1.00 1.40 N ATOM 0 H ARG A 35 -7.126 12.692 2.446 1.00 12.21 H new ATOM 0 HA ARG A 35 -9.662 14.095 3.161 1.00 51.01 H new ATOM 0 HB2 ARG A 35 -10.604 12.930 1.207 1.00 62.12 H new ATOM 0 HB3 ARG A 35 -9.259 13.951 0.737 1.00 62.12 H new ATOM 0 HG2 ARG A 35 -7.854 11.692 0.991 1.00 70.25 H new ATOM 0 HG3 ARG A 35 -9.422 10.934 0.795 1.00 70.25 H new ATOM 0 HD2 ARG A 35 -8.087 12.851 -1.164 1.00 15.33 H new ATOM 0 HD3 ARG A 35 -8.282 11.122 -1.374 1.00 15.33 H new ATOM 0 HE ARG A 35 -10.864 11.782 -1.170 1.00 65.11 H new ATOM 0 HH11 ARG A 35 -8.299 13.527 -2.911 1.00 44.22 H new ATOM 0 HH12 ARG A 35 -9.419 14.188 -4.107 1.00 44.22 H new ATOM 0 HH21 ARG A 35 -12.262 12.633 -2.730 1.00 1.40 H new ATOM 0 HH22 ARG A 35 -11.641 13.686 -4.005 1.00 1.40 H new ATOM 610 N GLY A 36 -8.587 11.250 4.125 1.00 74.43 N ATOM 611 CA GLY A 36 -8.827 10.125 5.031 1.00 25.30 C ATOM 612 C GLY A 36 -9.624 8.982 4.420 1.00 23.40 C ATOM 613 O GLY A 36 -10.296 8.244 5.141 1.00 1.32 O ATOM 0 H GLY A 36 -7.601 11.399 3.909 1.00 74.43 H new ATOM 0 HA2 GLY A 36 -7.867 9.739 5.373 1.00 25.30 H new ATOM 0 HA3 GLY A 36 -9.356 10.490 5.911 1.00 25.30 H new ATOM 617 N THR A 37 -9.526 8.810 3.091 1.00 1.44 N ATOM 618 CA THR A 37 -10.364 7.848 2.355 1.00 40.32 C ATOM 619 C THR A 37 -9.957 6.388 2.657 1.00 23.35 C ATOM 620 O THR A 37 -8.867 6.119 3.189 1.00 42.35 O ATOM 621 CB THR A 37 -10.357 8.136 0.814 1.00 62.11 C ATOM 622 OG1 THR A 37 -11.344 7.328 0.151 1.00 53.00 O ATOM 623 CG2 THR A 37 -8.976 7.904 0.174 1.00 0.02 C ATOM 0 H THR A 37 -8.872 9.327 2.503 1.00 1.44 H new ATOM 0 HA THR A 37 -11.387 7.980 2.707 1.00 40.32 H new ATOM 0 HB THR A 37 -10.599 9.191 0.689 1.00 62.11 H new ATOM 0 HG1 THR A 37 -11.331 7.518 -0.810 1.00 53.00 H new ATOM 0 HG21 THR A 37 -9.029 8.118 -0.893 1.00 0.02 H new ATOM 0 HG22 THR A 37 -8.244 8.563 0.640 1.00 0.02 H new ATOM 0 HG23 THR A 37 -8.676 6.866 0.321 1.00 0.02 H new ATOM 631 N GLU A 38 -10.873 5.466 2.339 1.00 33.53 N ATOM 632 CA GLU A 38 -10.723 4.027 2.602 1.00 2.24 C ATOM 633 C GLU A 38 -9.711 3.385 1.635 1.00 53.43 C ATOM 634 O GLU A 38 -10.042 3.044 0.499 1.00 32.10 O ATOM 635 CB GLU A 38 -12.123 3.338 2.540 1.00 41.34 C ATOM 636 CG GLU A 38 -12.962 3.658 1.281 1.00 41.40 C ATOM 637 CD GLU A 38 -14.445 3.284 1.432 1.00 72.23 C ATOM 638 OE1 GLU A 38 -15.176 4.043 2.108 1.00 44.33 O ATOM 639 OE2 GLU A 38 -14.879 2.251 0.893 1.00 60.24 O ATOM 0 H GLU A 38 -11.755 5.701 1.884 1.00 33.53 H new ATOM 0 HA GLU A 38 -10.319 3.884 3.604 1.00 2.24 H new ATOM 0 HB2 GLU A 38 -11.981 2.259 2.597 1.00 41.34 H new ATOM 0 HB3 GLU A 38 -12.694 3.632 3.421 1.00 41.34 H new ATOM 0 HG2 GLU A 38 -12.883 4.722 1.060 1.00 41.40 H new ATOM 0 HG3 GLU A 38 -12.544 3.124 0.428 1.00 41.40 H new ATOM 646 N ILE A 39 -8.475 3.209 2.121 1.00 61.13 N ATOM 647 CA ILE A 39 -7.359 2.692 1.324 1.00 62.11 C ATOM 648 C ILE A 39 -7.289 1.167 1.499 1.00 4.41 C ATOM 649 O ILE A 39 -7.069 0.664 2.604 1.00 31.41 O ATOM 650 CB ILE A 39 -5.981 3.322 1.767 1.00 34.20 C ATOM 651 CG1 ILE A 39 -6.053 4.878 1.814 1.00 12.33 C ATOM 652 CG2 ILE A 39 -4.841 2.854 0.834 1.00 73.44 C ATOM 653 CD1 ILE A 39 -4.815 5.557 2.395 1.00 53.44 C ATOM 0 H ILE A 39 -8.222 3.424 3.085 1.00 61.13 H new ATOM 0 HA ILE A 39 -7.533 2.959 0.282 1.00 62.11 H new ATOM 0 HB ILE A 39 -5.766 2.971 2.777 1.00 34.20 H new ATOM 0 HG12 ILE A 39 -6.214 5.251 0.803 1.00 12.33 H new ATOM 0 HG13 ILE A 39 -6.922 5.170 2.404 1.00 12.33 H new ATOM 0 HG21 ILE A 39 -3.900 3.300 1.157 1.00 73.44 H new ATOM 0 HG22 ILE A 39 -4.761 1.768 0.874 1.00 73.44 H new ATOM 0 HG23 ILE A 39 -5.057 3.164 -0.188 1.00 73.44 H new ATOM 0 HD11 ILE A 39 -4.956 6.638 2.388 1.00 53.44 H new ATOM 0 HD12 ILE A 39 -4.661 5.218 3.419 1.00 53.44 H new ATOM 0 HD13 ILE A 39 -3.943 5.300 1.793 1.00 53.44 H new ATOM 665 N VAL A 40 -7.521 0.444 0.400 1.00 62.21 N ATOM 666 CA VAL A 40 -7.459 -1.018 0.359 1.00 34.20 C ATOM 667 C VAL A 40 -6.199 -1.417 -0.421 1.00 23.22 C ATOM 668 O VAL A 40 -6.177 -1.346 -1.649 1.00 51.54 O ATOM 669 CB VAL A 40 -8.745 -1.617 -0.331 1.00 65.51 C ATOM 670 CG1 VAL A 40 -8.738 -3.162 -0.300 1.00 62.12 C ATOM 671 CG2 VAL A 40 -10.036 -1.033 0.293 1.00 11.24 C ATOM 0 H VAL A 40 -7.760 0.864 -0.498 1.00 62.21 H new ATOM 0 HA VAL A 40 -7.419 -1.415 1.373 1.00 34.20 H new ATOM 0 HB VAL A 40 -8.728 -1.321 -1.380 1.00 65.51 H new ATOM 0 HG11 VAL A 40 -9.639 -3.540 -0.784 1.00 62.12 H new ATOM 0 HG12 VAL A 40 -7.860 -3.533 -0.828 1.00 62.12 H new ATOM 0 HG13 VAL A 40 -8.711 -3.505 0.734 1.00 62.12 H new ATOM 0 HG21 VAL A 40 -10.906 -1.464 -0.202 1.00 11.24 H new ATOM 0 HG22 VAL A 40 -10.067 -1.273 1.356 1.00 11.24 H new ATOM 0 HG23 VAL A 40 -10.044 0.049 0.165 1.00 11.24 H new ATOM 681 N VAL A 41 -5.151 -1.831 0.294 1.00 12.42 N ATOM 682 CA VAL A 41 -3.861 -2.203 -0.307 1.00 75.31 C ATOM 683 C VAL A 41 -3.849 -3.715 -0.548 1.00 42.22 C ATOM 684 O VAL A 41 -4.069 -4.495 0.374 1.00 24.33 O ATOM 685 CB VAL A 41 -2.664 -1.778 0.617 1.00 32.22 C ATOM 686 CG1 VAL A 41 -1.293 -2.153 0.001 1.00 41.32 C ATOM 687 CG2 VAL A 41 -2.740 -0.272 0.932 1.00 2.23 C ATOM 0 H VAL A 41 -5.169 -1.919 1.310 1.00 12.42 H new ATOM 0 HA VAL A 41 -3.740 -1.679 -1.255 1.00 75.31 H new ATOM 0 HB VAL A 41 -2.752 -2.334 1.551 1.00 32.22 H new ATOM 0 HG11 VAL A 41 -0.494 -1.841 0.674 1.00 41.32 H new ATOM 0 HG12 VAL A 41 -1.243 -3.232 -0.145 1.00 41.32 H new ATOM 0 HG13 VAL A 41 -1.176 -1.651 -0.959 1.00 41.32 H new ATOM 0 HG21 VAL A 41 -1.904 0.008 1.573 1.00 2.23 H new ATOM 0 HG22 VAL A 41 -2.692 0.297 0.003 1.00 2.23 H new ATOM 0 HG23 VAL A 41 -3.678 -0.054 1.443 1.00 2.23 H new ATOM 697 N GLU A 42 -3.592 -4.111 -1.793 1.00 51.44 N ATOM 698 CA GLU A 42 -3.665 -5.495 -2.235 1.00 72.32 C ATOM 699 C GLU A 42 -2.319 -5.897 -2.848 1.00 74.22 C ATOM 700 O GLU A 42 -1.960 -5.447 -3.940 1.00 55.34 O ATOM 701 CB GLU A 42 -4.834 -5.669 -3.227 1.00 3.44 C ATOM 702 CG GLU A 42 -5.056 -7.115 -3.717 1.00 21.01 C ATOM 703 CD GLU A 42 -6.251 -7.227 -4.663 1.00 20.25 C ATOM 704 OE1 GLU A 42 -7.235 -7.928 -4.339 1.00 52.11 O ATOM 705 OE2 GLU A 42 -6.221 -6.584 -5.734 1.00 4.12 O ATOM 0 H GLU A 42 -3.322 -3.464 -2.534 1.00 51.44 H new ATOM 0 HA GLU A 42 -3.860 -6.154 -1.389 1.00 72.32 H new ATOM 0 HB2 GLU A 42 -5.750 -5.316 -2.753 1.00 3.44 H new ATOM 0 HB3 GLU A 42 -4.656 -5.030 -4.092 1.00 3.44 H new ATOM 0 HG2 GLU A 42 -4.158 -7.466 -4.225 1.00 21.01 H new ATOM 0 HG3 GLU A 42 -5.212 -7.768 -2.858 1.00 21.01 H new ATOM 712 N VAL A 43 -1.569 -6.732 -2.117 1.00 52.33 N ATOM 713 CA VAL A 43 -0.229 -7.185 -2.506 1.00 34.11 C ATOM 714 C VAL A 43 -0.351 -8.474 -3.348 1.00 3.13 C ATOM 715 O VAL A 43 -0.971 -9.437 -2.906 1.00 52.15 O ATOM 716 CB VAL A 43 0.646 -7.452 -1.220 1.00 63.24 C ATOM 717 CG1 VAL A 43 2.087 -7.852 -1.585 1.00 42.51 C ATOM 718 CG2 VAL A 43 0.632 -6.226 -0.272 1.00 4.11 C ATOM 0 H VAL A 43 -1.882 -7.117 -1.226 1.00 52.33 H new ATOM 0 HA VAL A 43 0.258 -6.412 -3.101 1.00 34.11 H new ATOM 0 HB VAL A 43 0.198 -8.293 -0.691 1.00 63.24 H new ATOM 0 HG11 VAL A 43 2.658 -8.027 -0.673 1.00 42.51 H new ATOM 0 HG12 VAL A 43 2.071 -8.763 -2.184 1.00 42.51 H new ATOM 0 HG13 VAL A 43 2.554 -7.050 -2.157 1.00 42.51 H new ATOM 0 HG21 VAL A 43 1.243 -6.438 0.606 1.00 4.11 H new ATOM 0 HG22 VAL A 43 1.035 -5.358 -0.794 1.00 4.11 H new ATOM 0 HG23 VAL A 43 -0.392 -6.019 0.040 1.00 4.11 H new ATOM 728 N HIS A 44 0.215 -8.459 -4.569 1.00 22.21 N ATOM 729 CA HIS A 44 0.210 -9.608 -5.505 1.00 13.21 C ATOM 730 C HIS A 44 1.650 -10.090 -5.702 1.00 63.44 C ATOM 731 O HIS A 44 2.410 -9.470 -6.453 1.00 12.13 O ATOM 732 CB HIS A 44 -0.376 -9.206 -6.891 1.00 22.04 C ATOM 733 CG HIS A 44 -1.802 -8.744 -6.880 1.00 72.44 C ATOM 734 ND1 HIS A 44 -2.827 -9.473 -7.439 1.00 51.55 N ATOM 735 CD2 HIS A 44 -2.365 -7.597 -6.444 1.00 51.53 C ATOM 736 CE1 HIS A 44 -3.951 -8.803 -7.334 1.00 31.51 C ATOM 737 NE2 HIS A 44 -3.698 -7.661 -6.739 1.00 34.53 N ATOM 0 H HIS A 44 0.696 -7.640 -4.942 1.00 22.21 H new ATOM 0 HA HIS A 44 -0.412 -10.396 -5.081 1.00 13.21 H new ATOM 0 HB2 HIS A 44 0.242 -8.412 -7.310 1.00 22.04 H new ATOM 0 HB3 HIS A 44 -0.295 -10.061 -7.562 1.00 22.04 H new ATOM 0 HD2 HIS A 44 -1.856 -6.780 -5.953 1.00 51.53 H new ATOM 0 HE1 HIS A 44 -4.919 -9.135 -7.679 1.00 31.51 H new ATOM 0 HE2 HIS A 44 -4.386 -6.937 -6.530 1.00 34.53 H new ATOM 746 N ILE A 45 2.050 -11.160 -4.999 1.00 52.43 N ATOM 747 CA ILE A 45 3.389 -11.758 -5.171 1.00 35.10 C ATOM 748 C ILE A 45 3.246 -13.273 -5.418 1.00 11.04 C ATOM 749 O ILE A 45 2.625 -13.978 -4.622 1.00 71.24 O ATOM 750 CB ILE A 45 4.351 -11.476 -3.952 1.00 31.24 C ATOM 751 CG1 ILE A 45 4.395 -9.948 -3.620 1.00 72.52 C ATOM 752 CG2 ILE A 45 5.780 -11.998 -4.250 1.00 4.01 C ATOM 753 CD1 ILE A 45 5.359 -9.562 -2.513 1.00 21.21 C ATOM 0 H ILE A 45 1.468 -11.631 -4.306 1.00 52.43 H new ATOM 0 HA ILE A 45 3.852 -11.284 -6.036 1.00 35.10 H new ATOM 0 HB ILE A 45 3.959 -12.008 -3.085 1.00 31.24 H new ATOM 0 HG12 ILE A 45 4.665 -9.402 -4.524 1.00 72.52 H new ATOM 0 HG13 ILE A 45 3.393 -9.623 -3.339 1.00 72.52 H new ATOM 0 HG21 ILE A 45 6.427 -11.794 -3.397 1.00 4.01 H new ATOM 0 HG22 ILE A 45 5.745 -13.073 -4.430 1.00 4.01 H new ATOM 0 HG23 ILE A 45 6.174 -11.495 -5.133 1.00 4.01 H new ATOM 0 HD11 ILE A 45 5.319 -8.484 -2.355 1.00 21.21 H new ATOM 0 HD12 ILE A 45 5.080 -10.074 -1.592 1.00 21.21 H new ATOM 0 HD13 ILE A 45 6.372 -9.850 -2.796 1.00 21.21 H new ATOM 765 N ASN A 46 3.801 -13.729 -6.566 1.00 51.14 N ATOM 766 CA ASN A 46 3.731 -15.137 -7.049 1.00 15.35 C ATOM 767 C ASN A 46 2.284 -15.584 -7.357 1.00 25.43 C ATOM 768 O ASN A 46 2.019 -16.782 -7.494 1.00 33.12 O ATOM 769 CB ASN A 46 4.430 -16.128 -6.065 1.00 5.51 C ATOM 770 CG ASN A 46 5.933 -15.885 -5.937 1.00 62.40 C ATOM 771 OD1 ASN A 46 6.727 -16.379 -6.740 1.00 43.21 O ATOM 772 ND2 ASN A 46 6.344 -15.152 -4.926 1.00 12.00 N ATOM 0 H ASN A 46 4.321 -13.120 -7.198 1.00 51.14 H new ATOM 0 HA ASN A 46 4.281 -15.163 -7.990 1.00 15.35 H new ATOM 0 HB2 ASN A 46 3.969 -16.040 -5.081 1.00 5.51 H new ATOM 0 HB3 ASN A 46 4.261 -17.149 -6.406 1.00 5.51 H new ATOM 0 HD21 ASN A 46 7.341 -14.981 -4.792 1.00 12.00 H new ATOM 0 HD22 ASN A 46 5.666 -14.755 -4.276 1.00 12.00 H new ATOM 779 N GLY A 47 1.368 -14.607 -7.531 1.00 5.32 N ATOM 780 CA GLY A 47 -0.049 -14.897 -7.785 1.00 65.34 C ATOM 781 C GLY A 47 -0.892 -14.903 -6.520 1.00 64.21 C ATOM 782 O GLY A 47 -2.119 -15.033 -6.593 1.00 11.42 O ATOM 0 H GLY A 47 1.590 -13.612 -7.499 1.00 5.32 H new ATOM 0 HA2 GLY A 47 -0.447 -14.155 -8.477 1.00 65.34 H new ATOM 0 HA3 GLY A 47 -0.133 -15.867 -8.275 1.00 65.34 H new ATOM 786 N GLU A 48 -0.238 -14.768 -5.355 1.00 2.21 N ATOM 787 CA GLU A 48 -0.917 -14.683 -4.055 1.00 65.22 C ATOM 788 C GLU A 48 -1.316 -13.231 -3.764 1.00 44.33 C ATOM 789 O GLU A 48 -0.469 -12.331 -3.772 1.00 72.41 O ATOM 790 CB GLU A 48 0.005 -15.218 -2.934 1.00 31.54 C ATOM 791 CG GLU A 48 0.367 -16.712 -3.064 1.00 13.43 C ATOM 792 CD GLU A 48 -0.851 -17.651 -2.960 1.00 3.42 C ATOM 793 OE1 GLU A 48 -1.224 -18.279 -3.965 1.00 50.44 O ATOM 794 OE2 GLU A 48 -1.451 -17.749 -1.870 1.00 63.33 O ATOM 0 H GLU A 48 0.779 -14.715 -5.290 1.00 2.21 H new ATOM 0 HA GLU A 48 -1.818 -15.296 -4.088 1.00 65.22 H new ATOM 0 HB2 GLU A 48 0.925 -14.633 -2.927 1.00 31.54 H new ATOM 0 HB3 GLU A 48 -0.482 -15.057 -1.972 1.00 31.54 H new ATOM 0 HG2 GLU A 48 0.861 -16.876 -4.021 1.00 13.43 H new ATOM 0 HG3 GLU A 48 1.084 -16.973 -2.286 1.00 13.43 H new ATOM 801 N ARG A 49 -2.615 -13.020 -3.507 1.00 75.34 N ATOM 802 CA ARG A 49 -3.180 -11.695 -3.189 1.00 62.53 C ATOM 803 C ARG A 49 -3.182 -11.473 -1.657 1.00 74.04 C ATOM 804 O ARG A 49 -3.202 -12.441 -0.881 1.00 31.24 O ATOM 805 CB ARG A 49 -4.622 -11.595 -3.758 1.00 2.03 C ATOM 806 CG ARG A 49 -5.634 -12.544 -3.073 1.00 40.14 C ATOM 807 CD ARG A 49 -7.033 -12.522 -3.703 1.00 42.45 C ATOM 808 NE ARG A 49 -7.985 -13.270 -2.863 1.00 25.20 N ATOM 809 CZ ARG A 49 -8.763 -14.285 -3.260 1.00 51.31 C ATOM 810 NH1 ARG A 49 -8.740 -14.723 -4.516 1.00 32.34 N ATOM 811 NH2 ARG A 49 -9.568 -14.862 -2.380 1.00 1.13 N ATOM 0 H ARG A 49 -3.310 -13.767 -3.513 1.00 75.34 H new ATOM 0 HA ARG A 49 -2.566 -10.919 -3.647 1.00 62.53 H new ATOM 0 HB2 ARG A 49 -4.973 -10.568 -3.653 1.00 2.03 H new ATOM 0 HB3 ARG A 49 -4.597 -11.816 -4.825 1.00 2.03 H new ATOM 0 HG2 ARG A 49 -5.245 -13.562 -3.111 1.00 40.14 H new ATOM 0 HG3 ARG A 49 -5.716 -12.273 -2.020 1.00 40.14 H new ATOM 0 HD2 ARG A 49 -7.371 -11.492 -3.818 1.00 42.45 H new ATOM 0 HD3 ARG A 49 -6.997 -12.959 -4.701 1.00 42.45 H new ATOM 0 HE ARG A 49 -8.058 -12.988 -1.886 1.00 25.20 H new ATOM 0 HH11 ARG A 49 -8.121 -14.284 -5.198 1.00 32.34 H new ATOM 0 HH12 ARG A 49 -9.341 -15.498 -4.797 1.00 32.34 H new ATOM 0 HH21 ARG A 49 -9.589 -14.532 -1.415 1.00 1.13 H new ATOM 0 HH22 ARG A 49 -10.167 -15.636 -2.667 1.00 1.13 H new ATOM 825 N ASP A 50 -3.132 -10.199 -1.227 1.00 53.41 N ATOM 826 CA ASP A 50 -3.237 -9.831 0.206 1.00 45.35 C ATOM 827 C ASP A 50 -4.000 -8.505 0.360 1.00 34.24 C ATOM 828 O ASP A 50 -3.466 -7.465 0.027 1.00 72.00 O ATOM 829 CB ASP A 50 -1.816 -9.684 0.807 1.00 54.10 C ATOM 830 CG ASP A 50 -1.811 -9.344 2.307 1.00 24.45 C ATOM 831 OD1 ASP A 50 -1.300 -8.267 2.693 1.00 34.14 O ATOM 832 OD2 ASP A 50 -2.288 -10.169 3.115 1.00 21.31 O ATOM 0 H ASP A 50 -3.019 -9.400 -1.851 1.00 53.41 H new ATOM 0 HA ASP A 50 -3.780 -10.615 0.734 1.00 45.35 H new ATOM 0 HB2 ASP A 50 -1.268 -10.613 0.652 1.00 54.10 H new ATOM 0 HB3 ASP A 50 -1.281 -8.904 0.265 1.00 54.10 H new ATOM 837 N GLU A 51 -5.207 -8.556 0.933 1.00 23.13 N ATOM 838 CA GLU A 51 -6.114 -7.385 1.043 1.00 4.12 C ATOM 839 C GLU A 51 -6.007 -6.754 2.442 1.00 2.45 C ATOM 840 O GLU A 51 -6.240 -7.432 3.439 1.00 33.51 O ATOM 841 CB GLU A 51 -7.580 -7.819 0.777 1.00 42.42 C ATOM 842 CG GLU A 51 -8.603 -6.665 0.842 1.00 14.01 C ATOM 843 CD GLU A 51 -10.057 -7.137 0.735 1.00 43.13 C ATOM 844 OE1 GLU A 51 -10.593 -7.224 -0.393 1.00 23.51 O ATOM 845 OE2 GLU A 51 -10.672 -7.428 1.780 1.00 5.33 O ATOM 0 H GLU A 51 -5.593 -9.409 1.338 1.00 23.13 H new ATOM 0 HA GLU A 51 -5.817 -6.647 0.298 1.00 4.12 H new ATOM 0 HB2 GLU A 51 -7.636 -8.285 -0.207 1.00 42.42 H new ATOM 0 HB3 GLU A 51 -7.860 -8.579 1.506 1.00 42.42 H new ATOM 0 HG2 GLU A 51 -8.472 -6.125 1.780 1.00 14.01 H new ATOM 0 HG3 GLU A 51 -8.397 -5.960 0.036 1.00 14.01 H new ATOM 852 N ILE A 52 -5.675 -5.448 2.504 1.00 12.13 N ATOM 853 CA ILE A 52 -5.466 -4.715 3.769 1.00 74.31 C ATOM 854 C ILE A 52 -6.329 -3.436 3.734 1.00 10.11 C ATOM 855 O ILE A 52 -6.018 -2.509 2.986 1.00 31.23 O ATOM 856 CB ILE A 52 -3.940 -4.303 3.952 1.00 52.51 C ATOM 857 CG1 ILE A 52 -2.968 -5.406 3.413 1.00 5.45 C ATOM 858 CG2 ILE A 52 -3.639 -3.995 5.441 1.00 53.30 C ATOM 859 CD1 ILE A 52 -1.620 -4.881 2.949 1.00 24.43 C ATOM 0 H ILE A 52 -5.544 -4.870 1.674 1.00 12.13 H new ATOM 0 HA ILE A 52 -5.748 -5.359 4.602 1.00 74.31 H new ATOM 0 HB ILE A 52 -3.770 -3.403 3.362 1.00 52.51 H new ATOM 0 HG12 ILE A 52 -2.806 -6.145 4.197 1.00 5.45 H new ATOM 0 HG13 ILE A 52 -3.449 -5.923 2.582 1.00 5.45 H new ATOM 0 HG21 ILE A 52 -2.591 -3.715 5.550 1.00 53.30 H new ATOM 0 HG22 ILE A 52 -4.271 -3.173 5.778 1.00 53.30 H new ATOM 0 HG23 ILE A 52 -3.842 -4.880 6.044 1.00 53.30 H new ATOM 0 HD11 ILE A 52 -1.010 -5.711 2.592 1.00 24.43 H new ATOM 0 HD12 ILE A 52 -1.767 -4.164 2.141 1.00 24.43 H new ATOM 0 HD13 ILE A 52 -1.114 -4.391 3.781 1.00 24.43 H new ATOM 871 N ARG A 53 -7.413 -3.389 4.527 1.00 41.12 N ATOM 872 CA ARG A 53 -8.331 -2.227 4.563 1.00 62.11 C ATOM 873 C ARG A 53 -8.009 -1.310 5.761 1.00 2.22 C ATOM 874 O ARG A 53 -7.991 -1.758 6.915 1.00 14.35 O ATOM 875 CB ARG A 53 -9.809 -2.703 4.624 1.00 32.24 C ATOM 876 CG ARG A 53 -10.292 -3.407 3.346 1.00 62.13 C ATOM 877 CD ARG A 53 -11.759 -3.854 3.434 1.00 42.21 C ATOM 878 NE ARG A 53 -11.970 -4.854 4.496 1.00 4.53 N ATOM 879 CZ ARG A 53 -12.589 -6.036 4.334 1.00 64.05 C ATOM 880 NH1 ARG A 53 -13.071 -6.404 3.144 1.00 0.24 N ATOM 881 NH2 ARG A 53 -12.740 -6.842 5.376 1.00 71.22 N ATOM 0 H ARG A 53 -7.680 -4.145 5.157 1.00 41.12 H new ATOM 0 HA ARG A 53 -8.189 -1.653 3.647 1.00 62.11 H new ATOM 0 HB2 ARG A 53 -9.926 -3.383 5.468 1.00 32.24 H new ATOM 0 HB3 ARG A 53 -10.450 -1.842 4.817 1.00 32.24 H new ATOM 0 HG2 ARG A 53 -10.172 -2.733 2.498 1.00 62.13 H new ATOM 0 HG3 ARG A 53 -9.662 -4.276 3.155 1.00 62.13 H new ATOM 0 HD2 ARG A 53 -12.391 -2.986 3.622 1.00 42.21 H new ATOM 0 HD3 ARG A 53 -12.068 -4.272 2.476 1.00 42.21 H new ATOM 0 HE ARG A 53 -11.619 -4.631 5.427 1.00 4.53 H new ATOM 0 HH11 ARG A 53 -12.972 -5.784 2.340 1.00 0.24 H new ATOM 0 HH12 ARG A 53 -13.538 -7.305 3.039 1.00 0.24 H new ATOM 0 HH21 ARG A 53 -12.388 -6.563 6.292 1.00 71.22 H new ATOM 0 HH22 ARG A 53 -13.209 -7.741 5.262 1.00 71.22 H new ATOM 895 N VAL A 54 -7.743 -0.027 5.457 1.00 64.31 N ATOM 896 CA VAL A 54 -7.468 1.032 6.450 1.00 42.15 C ATOM 897 C VAL A 54 -8.257 2.307 6.073 1.00 4.45 C ATOM 898 O VAL A 54 -8.325 2.671 4.898 1.00 12.11 O ATOM 899 CB VAL A 54 -5.924 1.358 6.538 1.00 30.32 C ATOM 900 CG1 VAL A 54 -5.136 0.207 7.202 1.00 54.43 C ATOM 901 CG2 VAL A 54 -5.340 1.702 5.146 1.00 20.42 C ATOM 0 H VAL A 54 -7.712 0.311 4.495 1.00 64.31 H new ATOM 0 HA VAL A 54 -7.787 0.674 7.429 1.00 42.15 H new ATOM 0 HB VAL A 54 -5.816 2.238 7.172 1.00 30.32 H new ATOM 0 HG11 VAL A 54 -4.078 0.467 7.245 1.00 54.43 H new ATOM 0 HG12 VAL A 54 -5.511 0.045 8.213 1.00 54.43 H new ATOM 0 HG13 VAL A 54 -5.262 -0.705 6.618 1.00 54.43 H new ATOM 0 HG21 VAL A 54 -4.277 1.921 5.242 1.00 20.42 H new ATOM 0 HG22 VAL A 54 -5.477 0.854 4.474 1.00 20.42 H new ATOM 0 HG23 VAL A 54 -5.855 2.573 4.741 1.00 20.42 H new ATOM 911 N ARG A 55 -8.891 2.960 7.064 1.00 30.21 N ATOM 912 CA ARG A 55 -9.724 4.164 6.835 1.00 50.22 C ATOM 913 C ARG A 55 -9.324 5.267 7.842 1.00 13.42 C ATOM 914 O ARG A 55 -9.240 4.996 9.044 1.00 5.34 O ATOM 915 CB ARG A 55 -11.241 3.817 6.984 1.00 71.35 C ATOM 916 CG ARG A 55 -11.690 2.516 6.265 1.00 1.44 C ATOM 917 CD ARG A 55 -13.212 2.268 6.320 1.00 13.42 C ATOM 918 NE ARG A 55 -13.959 3.195 5.441 1.00 60.32 N ATOM 919 CZ ARG A 55 -14.859 4.104 5.838 1.00 32.03 C ATOM 920 NH1 ARG A 55 -15.176 4.245 7.127 1.00 74.12 N ATOM 921 NH2 ARG A 55 -15.443 4.879 4.932 1.00 71.52 N ATOM 0 H ARG A 55 -8.844 2.673 8.042 1.00 30.21 H new ATOM 0 HA ARG A 55 -9.556 4.525 5.821 1.00 50.22 H new ATOM 0 HB2 ARG A 55 -11.475 3.727 8.045 1.00 71.35 H new ATOM 0 HB3 ARG A 55 -11.828 4.650 6.597 1.00 71.35 H new ATOM 0 HG2 ARG A 55 -11.376 2.561 5.222 1.00 1.44 H new ATOM 0 HG3 ARG A 55 -11.176 1.667 6.716 1.00 1.44 H new ATOM 0 HD2 ARG A 55 -13.422 1.240 6.024 1.00 13.42 H new ATOM 0 HD3 ARG A 55 -13.561 2.382 7.346 1.00 13.42 H new ATOM 0 HE ARG A 55 -13.771 3.136 4.440 1.00 60.32 H new ATOM 0 HH11 ARG A 55 -14.730 3.655 7.829 1.00 74.12 H new ATOM 0 HH12 ARG A 55 -15.864 4.943 7.410 1.00 74.12 H new ATOM 0 HH21 ARG A 55 -15.205 4.779 3.945 1.00 71.52 H new ATOM 0 HH22 ARG A 55 -16.130 5.575 5.223 1.00 71.52 H new ATOM 935 N ASN A 56 -9.063 6.491 7.324 1.00 22.13 N ATOM 936 CA ASN A 56 -8.720 7.699 8.136 1.00 13.11 C ATOM 937 C ASN A 56 -7.376 7.547 8.898 1.00 54.33 C ATOM 938 O ASN A 56 -7.117 8.304 9.840 1.00 21.14 O ATOM 939 CB ASN A 56 -9.866 8.086 9.144 1.00 34.33 C ATOM 940 CG ASN A 56 -11.170 8.598 8.512 1.00 1.54 C ATOM 941 OD1 ASN A 56 -11.805 9.522 9.038 1.00 72.04 O ATOM 942 ND2 ASN A 56 -11.622 7.988 7.432 1.00 15.14 N ATOM 0 H ASN A 56 -9.083 6.677 6.321 1.00 22.13 H new ATOM 0 HA ASN A 56 -8.608 8.508 7.415 1.00 13.11 H new ATOM 0 HB2 ASN A 56 -10.098 7.212 9.753 1.00 34.33 H new ATOM 0 HB3 ASN A 56 -9.486 8.853 9.819 1.00 34.33 H new ATOM 0 HD21 ASN A 56 -12.508 8.276 7.017 1.00 15.14 H new ATOM 0 HD22 ASN A 56 -11.085 7.229 7.013 1.00 15.14 H new ATOM 949 N ILE A 57 -6.514 6.604 8.457 1.00 74.24 N ATOM 950 CA ILE A 57 -5.229 6.292 9.146 1.00 53.14 C ATOM 951 C ILE A 57 -4.253 7.489 9.175 1.00 34.24 C ATOM 952 O ILE A 57 -4.253 8.328 8.276 1.00 34.33 O ATOM 953 CB ILE A 57 -4.520 4.990 8.553 1.00 63.24 C ATOM 954 CG1 ILE A 57 -4.629 4.898 6.982 1.00 71.12 C ATOM 955 CG2 ILE A 57 -5.088 3.710 9.222 1.00 33.12 C ATOM 956 CD1 ILE A 57 -3.802 5.901 6.186 1.00 12.11 C ATOM 0 H ILE A 57 -6.681 6.040 7.624 1.00 74.24 H new ATOM 0 HA ILE A 57 -5.501 6.078 10.180 1.00 53.14 H new ATOM 0 HB ILE A 57 -3.458 5.072 8.787 1.00 63.24 H new ATOM 0 HG12 ILE A 57 -4.334 3.894 6.677 1.00 71.12 H new ATOM 0 HG13 ILE A 57 -5.676 5.021 6.704 1.00 71.12 H new ATOM 0 HG21 ILE A 57 -4.594 2.832 8.806 1.00 33.12 H new ATOM 0 HG22 ILE A 57 -4.910 3.752 10.297 1.00 33.12 H new ATOM 0 HG23 ILE A 57 -6.160 3.646 9.034 1.00 33.12 H new ATOM 0 HD11 ILE A 57 -3.960 5.738 5.120 1.00 12.11 H new ATOM 0 HD12 ILE A 57 -4.108 6.914 6.448 1.00 12.11 H new ATOM 0 HD13 ILE A 57 -2.746 5.769 6.420 1.00 12.11 H new ATOM 968 N SER A 58 -3.430 7.548 10.231 1.00 22.40 N ATOM 969 CA SER A 58 -2.462 8.640 10.439 1.00 12.23 C ATOM 970 C SER A 58 -1.248 8.505 9.480 1.00 21.23 C ATOM 971 O SER A 58 -1.090 7.478 8.807 1.00 61.51 O ATOM 972 CB SER A 58 -2.022 8.634 11.912 1.00 53.13 C ATOM 973 OG SER A 58 -3.141 8.605 12.783 1.00 61.34 O ATOM 0 H SER A 58 -3.415 6.841 10.966 1.00 22.40 H new ATOM 0 HA SER A 58 -2.934 9.595 10.210 1.00 12.23 H new ATOM 0 HB2 SER A 58 -1.388 7.767 12.101 1.00 53.13 H new ATOM 0 HB3 SER A 58 -1.421 9.520 12.118 1.00 53.13 H new ATOM 0 HG SER A 58 -2.832 8.600 13.713 1.00 61.34 H new ATOM 979 N LYS A 59 -0.387 9.545 9.439 1.00 61.53 N ATOM 980 CA LYS A 59 0.751 9.608 8.490 1.00 23.42 C ATOM 981 C LYS A 59 1.879 8.617 8.883 1.00 15.12 C ATOM 982 O LYS A 59 2.705 8.230 8.052 1.00 74.30 O ATOM 983 CB LYS A 59 1.253 11.081 8.333 1.00 30.24 C ATOM 984 CG LYS A 59 1.717 11.793 9.638 1.00 2.42 C ATOM 985 CD LYS A 59 3.200 11.526 9.995 1.00 12.44 C ATOM 986 CE LYS A 59 3.641 12.235 11.282 1.00 61.02 C ATOM 987 NZ LYS A 59 5.076 12.001 11.596 1.00 2.11 N ATOM 0 H LYS A 59 -0.457 10.356 10.054 1.00 61.53 H new ATOM 0 HA LYS A 59 0.404 9.285 7.509 1.00 23.42 H new ATOM 0 HB2 LYS A 59 2.083 11.086 7.626 1.00 30.24 H new ATOM 0 HB3 LYS A 59 0.451 11.670 7.888 1.00 30.24 H new ATOM 0 HG2 LYS A 59 1.566 12.867 9.530 1.00 2.42 H new ATOM 0 HG3 LYS A 59 1.088 11.464 10.465 1.00 2.42 H new ATOM 0 HD2 LYS A 59 3.354 10.453 10.106 1.00 12.44 H new ATOM 0 HD3 LYS A 59 3.832 11.855 9.170 1.00 12.44 H new ATOM 0 HE2 LYS A 59 3.464 13.306 11.182 1.00 61.02 H new ATOM 0 HE3 LYS A 59 3.029 11.886 12.114 1.00 61.02 H new ATOM 0 HZ1 LYS A 59 5.325 12.500 12.474 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 5.243 10.982 11.718 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 5.665 12.357 10.816 1.00 2.11 H new ATOM 1001 N GLU A 60 1.898 8.223 10.161 1.00 1.31 N ATOM 1002 CA GLU A 60 2.782 7.149 10.666 1.00 52.12 C ATOM 1003 C GLU A 60 2.113 5.771 10.512 1.00 51.50 C ATOM 1004 O GLU A 60 2.796 4.752 10.386 1.00 60.12 O ATOM 1005 CB GLU A 60 3.186 7.399 12.153 1.00 74.54 C ATOM 1006 CG GLU A 60 2.034 7.811 13.104 1.00 14.43 C ATOM 1007 CD GLU A 60 1.798 9.340 13.165 1.00 70.14 C ATOM 1008 OE1 GLU A 60 0.916 9.861 12.452 1.00 2.14 O ATOM 1009 OE2 GLU A 60 2.516 10.032 13.912 1.00 20.01 O ATOM 0 H GLU A 60 1.304 8.635 10.880 1.00 1.31 H new ATOM 0 HA GLU A 60 3.691 7.160 10.065 1.00 52.12 H new ATOM 0 HB2 GLU A 60 3.646 6.491 12.542 1.00 74.54 H new ATOM 0 HB3 GLU A 60 3.948 8.178 12.177 1.00 74.54 H new ATOM 0 HG2 GLU A 60 1.115 7.322 12.781 1.00 14.43 H new ATOM 0 HG3 GLU A 60 2.254 7.445 14.107 1.00 14.43 H new ATOM 1016 N GLU A 61 0.769 5.748 10.524 1.00 12.30 N ATOM 1017 CA GLU A 61 -0.011 4.493 10.397 1.00 52.31 C ATOM 1018 C GLU A 61 -0.064 3.997 8.946 1.00 63.23 C ATOM 1019 O GLU A 61 -0.243 2.800 8.707 1.00 12.34 O ATOM 1020 CB GLU A 61 -1.434 4.668 10.969 1.00 53.55 C ATOM 1021 CG GLU A 61 -1.468 5.106 12.447 1.00 33.52 C ATOM 1022 CD GLU A 61 -0.745 4.134 13.396 1.00 21.34 C ATOM 1023 OE1 GLU A 61 -1.361 3.130 13.822 1.00 21.22 O ATOM 1024 OE2 GLU A 61 0.435 4.375 13.734 1.00 51.44 O ATOM 0 H GLU A 61 0.194 6.585 10.620 1.00 12.30 H new ATOM 0 HA GLU A 61 0.504 3.732 10.983 1.00 52.31 H new ATOM 0 HB2 GLU A 61 -1.967 5.406 10.370 1.00 53.55 H new ATOM 0 HB3 GLU A 61 -1.973 3.726 10.868 1.00 53.55 H new ATOM 0 HG2 GLU A 61 -1.013 6.092 12.535 1.00 33.52 H new ATOM 0 HG3 GLU A 61 -2.506 5.205 12.764 1.00 33.52 H new ATOM 1031 N LEU A 62 0.106 4.909 7.972 1.00 71.42 N ATOM 1032 CA LEU A 62 0.189 4.514 6.558 1.00 33.43 C ATOM 1033 C LEU A 62 1.510 3.753 6.290 1.00 62.44 C ATOM 1034 O LEU A 62 1.588 2.953 5.359 1.00 23.21 O ATOM 1035 CB LEU A 62 -0.038 5.729 5.607 1.00 64.11 C ATOM 1036 CG LEU A 62 0.967 6.932 5.666 1.00 54.25 C ATOM 1037 CD1 LEU A 62 2.288 6.638 4.926 1.00 41.22 C ATOM 1038 CD2 LEU A 62 0.318 8.223 5.120 1.00 34.42 C ATOM 0 H LEU A 62 0.188 5.912 8.137 1.00 71.42 H new ATOM 0 HA LEU A 62 -0.623 3.821 6.335 1.00 33.43 H new ATOM 0 HB2 LEU A 62 -0.042 5.352 4.584 1.00 64.11 H new ATOM 0 HB3 LEU A 62 -1.035 6.122 5.805 1.00 64.11 H new ATOM 0 HG LEU A 62 1.214 7.079 6.717 1.00 54.25 H new ATOM 0 HD11 LEU A 62 2.946 7.504 4.999 1.00 41.22 H new ATOM 0 HD12 LEU A 62 2.774 5.774 5.379 1.00 41.22 H new ATOM 0 HD13 LEU A 62 2.079 6.428 3.877 1.00 41.22 H new ATOM 0 HD21 LEU A 62 1.036 9.041 5.172 1.00 34.42 H new ATOM 0 HD22 LEU A 62 0.018 8.069 4.083 1.00 34.42 H new ATOM 0 HD23 LEU A 62 -0.559 8.471 5.718 1.00 34.42 H new ATOM 1050 N LYS A 63 2.529 3.999 7.153 1.00 44.31 N ATOM 1051 CA LYS A 63 3.816 3.263 7.129 1.00 13.02 C ATOM 1052 C LYS A 63 3.625 1.775 7.469 1.00 54.33 C ATOM 1053 O LYS A 63 4.493 0.961 7.179 1.00 21.33 O ATOM 1054 CB LYS A 63 4.832 3.855 8.138 1.00 72.24 C ATOM 1055 CG LYS A 63 5.278 5.298 7.858 1.00 73.23 C ATOM 1056 CD LYS A 63 6.220 5.824 8.968 1.00 4.13 C ATOM 1057 CE LYS A 63 7.508 4.988 9.118 1.00 2.24 C ATOM 1058 NZ LYS A 63 8.389 5.504 10.201 1.00 44.40 N ATOM 0 H LYS A 63 2.480 4.711 7.882 1.00 44.31 H new ATOM 0 HA LYS A 63 4.200 3.365 6.114 1.00 13.02 H new ATOM 0 HB2 LYS A 63 4.392 3.816 9.135 1.00 72.24 H new ATOM 0 HB3 LYS A 63 5.715 3.217 8.154 1.00 72.24 H new ATOM 0 HG2 LYS A 63 5.787 5.343 6.895 1.00 73.23 H new ATOM 0 HG3 LYS A 63 4.403 5.943 7.786 1.00 73.23 H new ATOM 0 HD2 LYS A 63 6.489 6.857 8.748 1.00 4.13 H new ATOM 0 HD3 LYS A 63 5.685 5.829 9.918 1.00 4.13 H new ATOM 0 HE2 LYS A 63 7.244 3.952 9.329 1.00 2.24 H new ATOM 0 HE3 LYS A 63 8.054 4.992 8.175 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 9.242 4.912 10.266 1.00 44.40 H new ATOM 0 HZ2 LYS A 63 8.663 6.484 9.988 1.00 44.40 H new ATOM 0 HZ3 LYS A 63 7.878 5.476 11.107 1.00 44.40 H new ATOM 1072 N LYS A 64 2.506 1.452 8.130 1.00 23.44 N ATOM 1073 CA LYS A 64 2.154 0.082 8.496 1.00 5.15 C ATOM 1074 C LYS A 64 1.629 -0.678 7.266 1.00 51.14 C ATOM 1075 O LYS A 64 1.629 -1.903 7.252 1.00 40.23 O ATOM 1076 CB LYS A 64 1.125 0.103 9.656 1.00 44.35 C ATOM 1077 CG LYS A 64 1.536 1.015 10.844 1.00 70.11 C ATOM 1078 CD LYS A 64 2.886 0.628 11.495 1.00 64.43 C ATOM 1079 CE LYS A 64 2.842 -0.751 12.168 1.00 71.20 C ATOM 1080 NZ LYS A 64 1.766 -0.849 13.188 1.00 50.21 N ATOM 0 H LYS A 64 1.817 2.143 8.426 1.00 23.44 H new ATOM 0 HA LYS A 64 3.040 -0.448 8.846 1.00 5.15 H new ATOM 0 HB2 LYS A 64 0.163 0.438 9.269 1.00 44.35 H new ATOM 0 HB3 LYS A 64 0.984 -0.914 10.023 1.00 44.35 H new ATOM 0 HG2 LYS A 64 1.595 2.046 10.494 1.00 70.11 H new ATOM 0 HG3 LYS A 64 0.755 0.980 11.603 1.00 70.11 H new ATOM 0 HD2 LYS A 64 3.667 0.632 10.734 1.00 64.43 H new ATOM 0 HD3 LYS A 64 3.158 1.381 12.235 1.00 64.43 H new ATOM 0 HE2 LYS A 64 2.690 -1.518 11.409 1.00 71.20 H new ATOM 0 HE3 LYS A 64 3.804 -0.954 12.638 1.00 71.20 H new ATOM 0 HZ1 LYS A 64 1.891 -1.720 13.742 1.00 50.21 H new ATOM 0 HZ2 LYS A 64 1.813 -0.026 13.822 1.00 50.21 H new ATOM 0 HZ3 LYS A 64 0.840 -0.869 12.715 1.00 50.21 H new ATOM 1094 N LEU A 65 1.184 0.071 6.234 1.00 70.12 N ATOM 1095 CA LEU A 65 0.850 -0.491 4.909 1.00 53.45 C ATOM 1096 C LEU A 65 2.154 -0.761 4.139 1.00 21.32 C ATOM 1097 O LEU A 65 2.289 -1.802 3.492 1.00 14.10 O ATOM 1098 CB LEU A 65 -0.070 0.466 4.092 1.00 53.54 C ATOM 1099 CG LEU A 65 -1.550 0.609 4.569 1.00 31.41 C ATOM 1100 CD1 LEU A 65 -2.255 -0.759 4.627 1.00 55.54 C ATOM 1101 CD2 LEU A 65 -1.649 1.361 5.912 1.00 75.54 C ATOM 0 H LEU A 65 1.047 1.080 6.296 1.00 70.12 H new ATOM 0 HA LEU A 65 0.301 -1.421 5.054 1.00 53.45 H new ATOM 0 HB2 LEU A 65 0.384 1.457 4.096 1.00 53.54 H new ATOM 0 HB3 LEU A 65 -0.080 0.124 3.057 1.00 53.54 H new ATOM 0 HG LEU A 65 -2.073 1.214 3.828 1.00 31.41 H new ATOM 0 HD11 LEU A 65 -3.283 -0.624 4.963 1.00 55.54 H new ATOM 0 HD12 LEU A 65 -2.253 -1.212 3.635 1.00 55.54 H new ATOM 0 HD13 LEU A 65 -1.728 -1.411 5.324 1.00 55.54 H new ATOM 0 HD21 LEU A 65 -2.695 1.439 6.209 1.00 75.54 H new ATOM 0 HD22 LEU A 65 -1.095 0.816 6.676 1.00 75.54 H new ATOM 0 HD23 LEU A 65 -1.227 2.360 5.802 1.00 75.54 H new ATOM 1113 N LEU A 66 3.114 0.195 4.238 1.00 32.34 N ATOM 1114 CA LEU A 66 4.502 0.025 3.730 1.00 25.25 C ATOM 1115 C LEU A 66 5.131 -1.240 4.338 1.00 10.43 C ATOM 1116 O LEU A 66 5.806 -2.014 3.657 1.00 61.13 O ATOM 1117 CB LEU A 66 5.406 1.248 4.088 1.00 40.34 C ATOM 1118 CG LEU A 66 5.305 2.519 3.189 1.00 44.44 C ATOM 1119 CD1 LEU A 66 3.911 3.153 3.204 1.00 63.43 C ATOM 1120 CD2 LEU A 66 6.385 3.543 3.585 1.00 24.22 C ATOM 0 H LEU A 66 2.949 1.104 4.671 1.00 32.34 H new ATOM 0 HA LEU A 66 4.441 -0.059 2.645 1.00 25.25 H new ATOM 0 HB2 LEU A 66 5.178 1.544 5.112 1.00 40.34 H new ATOM 0 HB3 LEU A 66 6.443 0.912 4.077 1.00 40.34 H new ATOM 0 HG LEU A 66 5.481 2.197 2.162 1.00 44.44 H new ATOM 0 HD11 LEU A 66 3.904 4.032 2.560 1.00 63.43 H new ATOM 0 HD12 LEU A 66 3.179 2.432 2.840 1.00 63.43 H new ATOM 0 HD13 LEU A 66 3.656 3.447 4.222 1.00 63.43 H new ATOM 0 HD21 LEU A 66 6.302 4.424 2.949 1.00 24.22 H new ATOM 0 HD22 LEU A 66 6.247 3.833 4.627 1.00 24.22 H new ATOM 0 HD23 LEU A 66 7.372 3.098 3.460 1.00 24.22 H new ATOM 1132 N GLU A 67 4.871 -1.414 5.646 1.00 73.21 N ATOM 1133 CA GLU A 67 5.330 -2.549 6.428 1.00 1.43 C ATOM 1134 C GLU A 67 4.682 -3.837 5.904 1.00 63.31 C ATOM 1135 O GLU A 67 5.383 -4.783 5.575 1.00 30.14 O ATOM 1136 CB GLU A 67 5.003 -2.307 7.923 1.00 25.11 C ATOM 1137 CG GLU A 67 5.204 -3.532 8.808 1.00 13.24 C ATOM 1138 CD GLU A 67 4.910 -3.286 10.289 1.00 35.21 C ATOM 1139 OE1 GLU A 67 5.787 -2.777 11.010 1.00 24.04 O ATOM 1140 OE2 GLU A 67 3.799 -3.623 10.748 1.00 3.13 O ATOM 0 H GLU A 67 4.323 -0.748 6.190 1.00 73.21 H new ATOM 0 HA GLU A 67 6.410 -2.660 6.331 1.00 1.43 H new ATOM 0 HB2 GLU A 67 5.630 -1.496 8.295 1.00 25.11 H new ATOM 0 HB3 GLU A 67 3.968 -1.975 8.009 1.00 25.11 H new ATOM 0 HG2 GLU A 67 4.561 -4.336 8.449 1.00 13.24 H new ATOM 0 HG3 GLU A 67 6.233 -3.877 8.705 1.00 13.24 H new ATOM 1147 N ARG A 68 3.345 -3.819 5.758 1.00 20.45 N ATOM 1148 CA ARG A 68 2.560 -4.975 5.268 1.00 20.14 C ATOM 1149 C ARG A 68 3.030 -5.478 3.885 1.00 32.31 C ATOM 1150 O ARG A 68 2.827 -6.645 3.554 1.00 44.44 O ATOM 1151 CB ARG A 68 1.053 -4.604 5.215 1.00 41.25 C ATOM 1152 CG ARG A 68 0.318 -4.673 6.570 1.00 71.03 C ATOM 1153 CD ARG A 68 0.133 -6.118 7.059 1.00 54.12 C ATOM 1154 NE ARG A 68 -0.667 -6.920 6.100 1.00 21.30 N ATOM 1155 CZ ARG A 68 -1.747 -7.660 6.413 1.00 14.53 C ATOM 1156 NH1 ARG A 68 -2.195 -7.737 7.665 1.00 4.01 N ATOM 1157 NH2 ARG A 68 -2.379 -8.331 5.466 1.00 12.11 N ATOM 0 H ARG A 68 2.774 -3.002 5.976 1.00 20.45 H new ATOM 0 HA ARG A 68 2.720 -5.792 5.972 1.00 20.14 H new ATOM 0 HB2 ARG A 68 0.956 -3.594 4.817 1.00 41.25 H new ATOM 0 HB3 ARG A 68 0.554 -5.272 4.513 1.00 41.25 H new ATOM 0 HG2 ARG A 68 0.879 -4.109 7.315 1.00 71.03 H new ATOM 0 HG3 ARG A 68 -0.657 -4.195 6.477 1.00 71.03 H new ATOM 0 HD2 ARG A 68 1.109 -6.583 7.199 1.00 54.12 H new ATOM 0 HD3 ARG A 68 -0.360 -6.114 8.031 1.00 54.12 H new ATOM 0 HE ARG A 68 -0.374 -6.910 5.123 1.00 21.30 H new ATOM 0 HH11 ARG A 68 -1.718 -7.229 8.410 1.00 4.01 H new ATOM 0 HH12 ARG A 68 -3.015 -8.304 7.879 1.00 4.01 H new ATOM 0 HH21 ARG A 68 -2.048 -8.287 4.502 1.00 12.11 H new ATOM 0 HH22 ARG A 68 -3.198 -8.893 5.699 1.00 12.11 H new ATOM 1171 N ILE A 69 3.628 -4.579 3.087 1.00 43.34 N ATOM 1172 CA ILE A 69 4.224 -4.921 1.782 1.00 14.30 C ATOM 1173 C ILE A 69 5.660 -5.447 1.958 1.00 64.03 C ATOM 1174 O ILE A 69 6.028 -6.475 1.364 1.00 70.51 O ATOM 1175 CB ILE A 69 4.224 -3.669 0.819 1.00 23.52 C ATOM 1176 CG1 ILE A 69 2.774 -3.119 0.645 1.00 1.24 C ATOM 1177 CG2 ILE A 69 4.867 -4.007 -0.555 1.00 33.03 C ATOM 1178 CD1 ILE A 69 2.688 -1.759 -0.021 1.00 1.14 C ATOM 0 H ILE A 69 3.713 -3.591 3.328 1.00 43.34 H new ATOM 0 HA ILE A 69 3.616 -5.707 1.334 1.00 14.30 H new ATOM 0 HB ILE A 69 4.834 -2.890 1.276 1.00 23.52 H new ATOM 0 HG12 ILE A 69 2.197 -3.833 0.058 1.00 1.24 H new ATOM 0 HG13 ILE A 69 2.303 -3.059 1.626 1.00 1.24 H new ATOM 0 HG21 ILE A 69 4.850 -3.123 -1.192 1.00 33.03 H new ATOM 0 HG22 ILE A 69 5.898 -4.327 -0.405 1.00 33.03 H new ATOM 0 HG23 ILE A 69 4.304 -4.809 -1.033 1.00 33.03 H new ATOM 0 HD11 ILE A 69 1.643 -1.458 -0.099 1.00 1.14 H new ATOM 0 HD12 ILE A 69 3.233 -1.027 0.575 1.00 1.14 H new ATOM 0 HD13 ILE A 69 3.126 -1.814 -1.018 1.00 1.14 H new ATOM 1190 N ARG A 70 6.461 -4.751 2.812 1.00 54.23 N ATOM 1191 CA ARG A 70 7.895 -5.058 2.987 1.00 1.35 C ATOM 1192 C ARG A 70 8.073 -6.477 3.531 1.00 23.34 C ATOM 1193 O ARG A 70 8.956 -7.194 3.080 1.00 40.12 O ATOM 1194 CB ARG A 70 8.635 -4.027 3.908 1.00 54.02 C ATOM 1195 CG ARG A 70 8.536 -4.305 5.421 1.00 20.04 C ATOM 1196 CD ARG A 70 9.271 -3.298 6.305 1.00 13.21 C ATOM 1197 NE ARG A 70 9.134 -3.668 7.723 1.00 43.22 N ATOM 1198 CZ ARG A 70 8.858 -2.829 8.728 1.00 33.30 C ATOM 1199 NH1 ARG A 70 8.673 -1.532 8.505 1.00 53.14 N ATOM 1200 NH2 ARG A 70 8.748 -3.295 9.964 1.00 63.31 N ATOM 0 H ARG A 70 6.131 -3.975 3.386 1.00 54.23 H new ATOM 0 HA ARG A 70 8.353 -4.984 2.001 1.00 1.35 H new ATOM 0 HB2 ARG A 70 9.688 -4.005 3.628 1.00 54.02 H new ATOM 0 HB3 ARG A 70 8.232 -3.034 3.711 1.00 54.02 H new ATOM 0 HG2 ARG A 70 7.484 -4.318 5.706 1.00 20.04 H new ATOM 0 HG3 ARG A 70 8.933 -5.300 5.620 1.00 20.04 H new ATOM 0 HD2 ARG A 70 10.325 -3.265 6.031 1.00 13.21 H new ATOM 0 HD3 ARG A 70 8.868 -2.298 6.142 1.00 13.21 H new ATOM 0 HE ARG A 70 9.261 -4.652 7.961 1.00 43.22 H new ATOM 0 HH11 ARG A 70 8.741 -1.163 7.557 1.00 53.14 H new ATOM 0 HH12 ARG A 70 8.463 -0.906 9.282 1.00 53.14 H new ATOM 0 HH21 ARG A 70 8.874 -4.291 10.147 1.00 63.31 H new ATOM 0 HH22 ARG A 70 8.538 -2.658 10.732 1.00 63.31 H new ATOM 1214 N GLU A 71 7.168 -6.881 4.459 1.00 1.23 N ATOM 1215 CA GLU A 71 7.192 -8.211 5.091 1.00 12.01 C ATOM 1216 C GLU A 71 7.137 -9.289 4.007 1.00 1.51 C ATOM 1217 O GLU A 71 7.816 -10.306 4.101 1.00 20.35 O ATOM 1218 CB GLU A 71 6.001 -8.399 6.074 1.00 4.10 C ATOM 1219 CG GLU A 71 5.901 -7.359 7.212 1.00 33.00 C ATOM 1220 CD GLU A 71 7.116 -7.325 8.160 1.00 31.33 C ATOM 1221 OE1 GLU A 71 7.999 -6.453 8.000 1.00 5.22 O ATOM 1222 OE2 GLU A 71 7.176 -8.157 9.090 1.00 42.24 O ATOM 0 H GLU A 71 6.404 -6.289 4.785 1.00 1.23 H new ATOM 0 HA GLU A 71 8.116 -8.299 5.663 1.00 12.01 H new ATOM 0 HB2 GLU A 71 5.074 -8.374 5.501 1.00 4.10 H new ATOM 0 HB3 GLU A 71 6.074 -9.391 6.519 1.00 4.10 H new ATOM 0 HG2 GLU A 71 5.772 -6.370 6.772 1.00 33.00 H new ATOM 0 HG3 GLU A 71 5.006 -7.566 7.798 1.00 33.00 H new ATOM 1229 N LYS A 72 6.359 -9.001 2.942 1.00 0.02 N ATOM 1230 CA LYS A 72 6.116 -9.948 1.850 1.00 64.41 C ATOM 1231 C LYS A 72 7.350 -10.030 0.957 1.00 72.02 C ATOM 1232 O LYS A 72 7.869 -11.110 0.748 1.00 31.54 O ATOM 1233 CB LYS A 72 4.849 -9.555 1.030 1.00 45.32 C ATOM 1234 CG LYS A 72 3.616 -9.228 1.900 1.00 30.25 C ATOM 1235 CD LYS A 72 3.384 -10.256 3.042 1.00 73.13 C ATOM 1236 CE LYS A 72 2.258 -9.835 3.987 1.00 53.42 C ATOM 1237 NZ LYS A 72 0.956 -9.770 3.300 1.00 25.44 N ATOM 0 H LYS A 72 5.886 -8.105 2.822 1.00 0.02 H new ATOM 0 HA LYS A 72 5.927 -10.933 2.277 1.00 64.41 H new ATOM 0 HB2 LYS A 72 5.084 -8.690 0.410 1.00 45.32 H new ATOM 0 HB3 LYS A 72 4.598 -10.372 0.354 1.00 45.32 H new ATOM 0 HG2 LYS A 72 3.737 -8.235 2.333 1.00 30.25 H new ATOM 0 HG3 LYS A 72 2.730 -9.193 1.266 1.00 30.25 H new ATOM 0 HD2 LYS A 72 3.147 -11.228 2.609 1.00 73.13 H new ATOM 0 HD3 LYS A 72 4.306 -10.377 3.611 1.00 73.13 H new ATOM 0 HE2 LYS A 72 2.196 -10.541 4.815 1.00 53.42 H new ATOM 0 HE3 LYS A 72 2.490 -8.860 4.416 1.00 53.42 H new ATOM 0 HZ1 LYS A 72 0.601 -8.793 3.320 1.00 25.44 H new ATOM 0 HZ2 LYS A 72 1.069 -10.077 2.313 1.00 25.44 H new ATOM 0 HZ3 LYS A 72 0.278 -10.394 3.782 1.00 25.44 H new ATOM 1251 N ILE A 73 7.873 -8.872 0.502 1.00 4.44 N ATOM 1252 CA ILE A 73 9.048 -8.843 -0.404 1.00 64.31 C ATOM 1253 C ILE A 73 10.322 -9.368 0.302 1.00 22.40 C ATOM 1254 O ILE A 73 11.264 -9.789 -0.361 1.00 22.43 O ATOM 1255 CB ILE A 73 9.271 -7.412 -1.067 1.00 11.24 C ATOM 1256 CG1 ILE A 73 9.614 -6.280 -0.034 1.00 62.32 C ATOM 1257 CG2 ILE A 73 8.027 -7.009 -1.892 1.00 10.43 C ATOM 1258 CD1 ILE A 73 11.085 -6.138 0.333 1.00 10.24 C ATOM 0 H ILE A 73 7.507 -7.951 0.743 1.00 4.44 H new ATOM 0 HA ILE A 73 8.832 -9.525 -1.226 1.00 64.31 H new ATOM 0 HB ILE A 73 10.142 -7.512 -1.715 1.00 11.24 H new ATOM 0 HG12 ILE A 73 9.267 -5.329 -0.438 1.00 62.32 H new ATOM 0 HG13 ILE A 73 9.048 -6.464 0.879 1.00 62.32 H new ATOM 0 HG21 ILE A 73 8.190 -6.029 -2.341 1.00 10.43 H new ATOM 0 HG22 ILE A 73 7.858 -7.745 -2.678 1.00 10.43 H new ATOM 0 HG23 ILE A 73 7.155 -6.969 -1.239 1.00 10.43 H new ATOM 0 HD11 ILE A 73 11.204 -5.327 1.052 1.00 10.24 H new ATOM 0 HD12 ILE A 73 11.442 -7.069 0.774 1.00 10.24 H new ATOM 0 HD13 ILE A 73 11.664 -5.916 -0.563 1.00 10.24 H new ATOM 1270 N GLU A 74 10.330 -9.335 1.654 1.00 10.52 N ATOM 1271 CA GLU A 74 11.413 -9.911 2.481 1.00 10.14 C ATOM 1272 C GLU A 74 11.294 -11.455 2.554 1.00 33.34 C ATOM 1273 O GLU A 74 12.290 -12.167 2.386 1.00 71.24 O ATOM 1274 CB GLU A 74 11.396 -9.298 3.912 1.00 44.20 C ATOM 1275 CG GLU A 74 11.809 -7.809 3.995 1.00 50.12 C ATOM 1276 CD GLU A 74 13.295 -7.556 3.678 1.00 71.41 C ATOM 1277 OE1 GLU A 74 13.616 -6.936 2.642 1.00 30.32 O ATOM 1278 OE2 GLU A 74 14.156 -7.993 4.478 1.00 54.34 O ATOM 0 H GLU A 74 9.584 -8.907 2.202 1.00 10.52 H new ATOM 0 HA GLU A 74 12.364 -9.664 2.009 1.00 10.14 H new ATOM 0 HB2 GLU A 74 10.392 -9.404 4.323 1.00 44.20 H new ATOM 0 HB3 GLU A 74 12.064 -9.880 4.547 1.00 44.20 H new ATOM 0 HG2 GLU A 74 11.196 -7.233 3.302 1.00 50.12 H new ATOM 0 HG3 GLU A 74 11.593 -7.437 4.996 1.00 50.12 H new ATOM 1285 N ARG A 75 10.062 -11.956 2.809 1.00 24.44 N ATOM 1286 CA ARG A 75 9.781 -13.408 2.934 1.00 24.31 C ATOM 1287 C ARG A 75 9.969 -14.130 1.585 1.00 42.14 C ATOM 1288 O ARG A 75 10.611 -15.180 1.514 1.00 51.32 O ATOM 1289 CB ARG A 75 8.330 -13.634 3.451 1.00 13.53 C ATOM 1290 CG ARG A 75 8.095 -13.249 4.932 1.00 51.40 C ATOM 1291 CD ARG A 75 6.608 -13.327 5.334 1.00 70.31 C ATOM 1292 NE ARG A 75 6.036 -14.674 5.122 1.00 64.31 N ATOM 1293 CZ ARG A 75 5.114 -14.999 4.193 1.00 12.25 C ATOM 1294 NH1 ARG A 75 4.629 -14.079 3.357 1.00 43.33 N ATOM 1295 NH2 ARG A 75 4.686 -16.246 4.109 1.00 51.01 N ATOM 0 H ARG A 75 9.237 -11.369 2.934 1.00 24.44 H new ATOM 0 HA ARG A 75 10.490 -13.824 3.650 1.00 24.31 H new ATOM 0 HB2 ARG A 75 7.645 -13.058 2.829 1.00 13.53 H new ATOM 0 HB3 ARG A 75 8.073 -14.685 3.319 1.00 13.53 H new ATOM 0 HG2 ARG A 75 8.676 -13.912 5.573 1.00 51.40 H new ATOM 0 HG3 ARG A 75 8.462 -12.237 5.104 1.00 51.40 H new ATOM 0 HD2 ARG A 75 6.503 -13.052 6.384 1.00 70.31 H new ATOM 0 HD3 ARG A 75 6.039 -12.599 4.756 1.00 70.31 H new ATOM 0 HE ARG A 75 6.367 -15.422 5.731 1.00 64.31 H new ATOM 0 HH11 ARG A 75 4.955 -13.114 3.415 1.00 43.33 H new ATOM 0 HH12 ARG A 75 3.932 -14.340 2.660 1.00 43.33 H new ATOM 0 HH21 ARG A 75 5.053 -16.955 4.744 1.00 51.01 H new ATOM 0 HH22 ARG A 75 3.989 -16.500 3.409 1.00 51.01 H new ATOM 1309 N GLU A 76 9.415 -13.520 0.531 1.00 54.01 N ATOM 1310 CA GLU A 76 9.418 -14.067 -0.832 1.00 21.00 C ATOM 1311 C GLU A 76 10.800 -13.825 -1.469 1.00 72.34 C ATOM 1312 O GLU A 76 11.482 -14.768 -1.892 1.00 20.34 O ATOM 1313 CB GLU A 76 8.315 -13.368 -1.682 1.00 62.04 C ATOM 1314 CG GLU A 76 6.899 -13.383 -1.057 1.00 32.44 C ATOM 1315 CD GLU A 76 6.206 -14.749 -1.094 1.00 10.15 C ATOM 1316 OE1 GLU A 76 5.532 -15.042 -2.106 1.00 65.20 O ATOM 1317 OE2 GLU A 76 6.326 -15.531 -0.126 1.00 61.12 O ATOM 0 H GLU A 76 8.944 -12.618 0.602 1.00 54.01 H new ATOM 0 HA GLU A 76 9.213 -15.137 -0.798 1.00 21.00 H new ATOM 0 HB2 GLU A 76 8.610 -12.332 -1.851 1.00 62.04 H new ATOM 0 HB3 GLU A 76 8.270 -13.850 -2.658 1.00 62.04 H new ATOM 0 HG2 GLU A 76 6.969 -13.052 -0.021 1.00 32.44 H new ATOM 0 HG3 GLU A 76 6.276 -12.659 -1.581 1.00 32.44 H new ATOM 1324 N GLY A 77 11.199 -12.536 -1.503 1.00 72.21 N ATOM 1325 CA GLY A 77 12.433 -12.105 -2.164 1.00 42.21 C ATOM 1326 C GLY A 77 12.406 -12.319 -3.671 1.00 4.12 C ATOM 1327 O GLY A 77 13.448 -12.545 -4.289 1.00 4.34 O ATOM 0 H GLY A 77 10.673 -11.775 -1.074 1.00 72.21 H new ATOM 0 HA2 GLY A 77 12.600 -11.048 -1.955 1.00 42.21 H new ATOM 0 HA3 GLY A 77 13.276 -12.651 -1.740 1.00 42.21 H new ATOM 1331 N SER A 78 11.199 -12.250 -4.248 1.00 3.21 N ATOM 1332 CA SER A 78 10.944 -12.553 -5.664 1.00 0.33 C ATOM 1333 C SER A 78 10.775 -11.248 -6.466 1.00 72.33 C ATOM 1334 O SER A 78 10.556 -10.177 -5.886 1.00 3.34 O ATOM 1335 CB SER A 78 9.676 -13.443 -5.770 1.00 22.13 C ATOM 1336 OG SER A 78 9.513 -13.984 -7.074 1.00 62.41 O ATOM 0 H SER A 78 10.359 -11.978 -3.737 1.00 3.21 H new ATOM 0 HA SER A 78 11.792 -13.093 -6.086 1.00 0.33 H new ATOM 0 HB2 SER A 78 9.742 -14.255 -5.046 1.00 22.13 H new ATOM 0 HB3 SER A 78 8.797 -12.854 -5.509 1.00 22.13 H new ATOM 0 HG SER A 78 8.706 -14.539 -7.099 1.00 62.41 H new ATOM 1342 N SER A 79 10.894 -11.351 -7.799 1.00 25.50 N ATOM 1343 CA SER A 79 10.706 -10.213 -8.721 1.00 13.42 C ATOM 1344 C SER A 79 9.235 -10.102 -9.176 1.00 11.50 C ATOM 1345 O SER A 79 8.838 -9.082 -9.750 1.00 20.21 O ATOM 1346 CB SER A 79 11.648 -10.369 -9.931 1.00 61.20 C ATOM 1347 OG SER A 79 12.996 -10.506 -9.503 1.00 0.34 O ATOM 0 H SER A 79 11.123 -12.225 -8.271 1.00 25.50 H new ATOM 0 HA SER A 79 10.953 -9.290 -8.196 1.00 13.42 H new ATOM 0 HB2 SER A 79 11.356 -11.242 -10.515 1.00 61.20 H new ATOM 0 HB3 SER A 79 11.555 -9.502 -10.585 1.00 61.20 H new ATOM 0 HG SER A 79 13.579 -10.606 -10.285 1.00 0.34 H new ATOM 1353 N GLU A 80 8.443 -11.170 -8.921 1.00 55.12 N ATOM 1354 CA GLU A 80 6.998 -11.194 -9.218 1.00 63.12 C ATOM 1355 C GLU A 80 6.237 -10.440 -8.108 1.00 14.22 C ATOM 1356 O GLU A 80 5.614 -11.048 -7.248 1.00 42.53 O ATOM 1357 CB GLU A 80 6.487 -12.667 -9.359 1.00 10.32 C ATOM 1358 CG GLU A 80 4.985 -12.820 -9.735 1.00 14.12 C ATOM 1359 CD GLU A 80 4.582 -12.073 -11.023 1.00 1.31 C ATOM 1360 OE1 GLU A 80 4.796 -12.621 -12.121 1.00 25.04 O ATOM 1361 OE2 GLU A 80 4.037 -10.946 -10.934 1.00 54.52 O ATOM 0 H GLU A 80 8.790 -12.034 -8.505 1.00 55.12 H new ATOM 0 HA GLU A 80 6.815 -10.695 -10.170 1.00 63.12 H new ATOM 0 HB2 GLU A 80 7.087 -13.171 -10.117 1.00 10.32 H new ATOM 0 HB3 GLU A 80 6.663 -13.186 -8.417 1.00 10.32 H new ATOM 0 HG2 GLU A 80 4.757 -13.879 -9.855 1.00 14.12 H new ATOM 0 HG3 GLU A 80 4.375 -12.454 -8.909 1.00 14.12 H new ATOM 1368 N VAL A 81 6.353 -9.102 -8.112 1.00 54.41 N ATOM 1369 CA VAL A 81 5.712 -8.218 -7.110 1.00 52.51 C ATOM 1370 C VAL A 81 4.867 -7.152 -7.830 1.00 31.30 C ATOM 1371 O VAL A 81 5.348 -6.496 -8.764 1.00 45.04 O ATOM 1372 CB VAL A 81 6.772 -7.522 -6.170 1.00 44.42 C ATOM 1373 CG1 VAL A 81 6.087 -6.595 -5.133 1.00 55.14 C ATOM 1374 CG2 VAL A 81 7.669 -8.568 -5.468 1.00 5.12 C ATOM 0 H VAL A 81 6.896 -8.595 -8.812 1.00 54.41 H new ATOM 0 HA VAL A 81 5.073 -8.836 -6.479 1.00 52.51 H new ATOM 0 HB VAL A 81 7.409 -6.901 -6.800 1.00 44.42 H new ATOM 0 HG11 VAL A 81 6.846 -6.132 -4.502 1.00 55.14 H new ATOM 0 HG12 VAL A 81 5.525 -5.820 -5.653 1.00 55.14 H new ATOM 0 HG13 VAL A 81 5.408 -7.181 -4.513 1.00 55.14 H new ATOM 0 HG21 VAL A 81 8.389 -8.059 -4.827 1.00 5.12 H new ATOM 0 HG22 VAL A 81 7.050 -9.231 -4.863 1.00 5.12 H new ATOM 0 HG23 VAL A 81 8.201 -9.153 -6.218 1.00 5.12 H new ATOM 1384 N GLU A 82 3.604 -7.014 -7.393 1.00 24.24 N ATOM 1385 CA GLU A 82 2.647 -6.041 -7.931 1.00 41.22 C ATOM 1386 C GLU A 82 1.784 -5.482 -6.778 1.00 2.32 C ATOM 1387 O GLU A 82 1.000 -6.217 -6.177 1.00 35.35 O ATOM 1388 CB GLU A 82 1.749 -6.725 -8.995 1.00 11.21 C ATOM 1389 CG GLU A 82 0.688 -5.801 -9.637 1.00 25.43 C ATOM 1390 CD GLU A 82 -0.345 -6.576 -10.467 1.00 62.41 C ATOM 1391 OE1 GLU A 82 -1.390 -6.981 -9.905 1.00 23.25 O ATOM 1392 OE2 GLU A 82 -0.115 -6.799 -11.672 1.00 54.43 O ATOM 0 H GLU A 82 3.216 -7.587 -6.643 1.00 24.24 H new ATOM 0 HA GLU A 82 3.184 -5.219 -8.404 1.00 41.22 H new ATOM 0 HB2 GLU A 82 2.385 -7.127 -9.783 1.00 11.21 H new ATOM 0 HB3 GLU A 82 1.241 -7.571 -8.532 1.00 11.21 H new ATOM 0 HG2 GLU A 82 0.175 -5.244 -8.853 1.00 25.43 H new ATOM 0 HG3 GLU A 82 1.186 -5.070 -10.274 1.00 25.43 H new ATOM 1399 N VAL A 83 1.927 -4.185 -6.469 1.00 4.34 N ATOM 1400 CA VAL A 83 1.165 -3.527 -5.387 1.00 14.12 C ATOM 1401 C VAL A 83 -0.032 -2.748 -5.973 1.00 4.43 C ATOM 1402 O VAL A 83 0.149 -1.802 -6.739 1.00 52.21 O ATOM 1403 CB VAL A 83 2.069 -2.540 -4.558 1.00 11.54 C ATOM 1404 CG1 VAL A 83 1.270 -1.907 -3.396 1.00 35.32 C ATOM 1405 CG2 VAL A 83 3.341 -3.253 -4.041 1.00 30.24 C ATOM 0 H VAL A 83 2.570 -3.561 -6.957 1.00 4.34 H new ATOM 0 HA VAL A 83 0.806 -4.310 -4.719 1.00 14.12 H new ATOM 0 HB VAL A 83 2.388 -1.736 -5.221 1.00 11.54 H new ATOM 0 HG11 VAL A 83 1.915 -1.229 -2.838 1.00 35.32 H new ATOM 0 HG12 VAL A 83 0.422 -1.352 -3.797 1.00 35.32 H new ATOM 0 HG13 VAL A 83 0.909 -2.693 -2.732 1.00 35.32 H new ATOM 0 HG21 VAL A 83 3.947 -2.548 -3.472 1.00 30.24 H new ATOM 0 HG22 VAL A 83 3.055 -4.087 -3.400 1.00 30.24 H new ATOM 0 HG23 VAL A 83 3.918 -3.627 -4.887 1.00 30.24 H new ATOM 1415 N ASN A 84 -1.251 -3.166 -5.609 1.00 12.54 N ATOM 1416 CA ASN A 84 -2.502 -2.508 -6.024 1.00 62.23 C ATOM 1417 C ASN A 84 -3.026 -1.669 -4.862 1.00 31.04 C ATOM 1418 O ASN A 84 -3.517 -2.218 -3.880 1.00 60.44 O ATOM 1419 CB ASN A 84 -3.579 -3.563 -6.409 1.00 23.24 C ATOM 1420 CG ASN A 84 -3.292 -4.376 -7.669 1.00 22.43 C ATOM 1421 OD1 ASN A 84 -4.218 -4.746 -8.385 1.00 34.22 O ATOM 1422 ND2 ASN A 84 -2.037 -4.688 -7.957 1.00 61.05 N ATOM 0 H ASN A 84 -1.401 -3.979 -5.012 1.00 12.54 H new ATOM 0 HA ASN A 84 -2.299 -1.881 -6.892 1.00 62.23 H new ATOM 0 HB2 ASN A 84 -3.699 -4.253 -5.574 1.00 23.24 H new ATOM 0 HB3 ASN A 84 -4.532 -3.051 -6.539 1.00 23.24 H new ATOM 0 HD21 ASN A 84 -1.827 -5.245 -8.786 1.00 61.05 H new ATOM 0 HD22 ASN A 84 -1.281 -4.372 -7.350 1.00 61.05 H new ATOM 1429 N VAL A 85 -2.931 -0.346 -4.964 1.00 34.45 N ATOM 1430 CA VAL A 85 -3.538 0.559 -3.984 1.00 23.11 C ATOM 1431 C VAL A 85 -4.913 0.982 -4.486 1.00 62.53 C ATOM 1432 O VAL A 85 -5.032 1.618 -5.526 1.00 73.23 O ATOM 1433 CB VAL A 85 -2.662 1.827 -3.717 1.00 31.11 C ATOM 1434 CG1 VAL A 85 -3.352 2.799 -2.721 1.00 61.24 C ATOM 1435 CG2 VAL A 85 -1.270 1.409 -3.220 1.00 2.30 C ATOM 0 H VAL A 85 -2.437 0.128 -5.720 1.00 34.45 H new ATOM 0 HA VAL A 85 -3.620 0.021 -3.039 1.00 23.11 H new ATOM 0 HB VAL A 85 -2.546 2.368 -4.656 1.00 31.11 H new ATOM 0 HG11 VAL A 85 -2.714 3.668 -2.560 1.00 61.24 H new ATOM 0 HG12 VAL A 85 -4.309 3.122 -3.132 1.00 61.24 H new ATOM 0 HG13 VAL A 85 -3.518 2.290 -1.772 1.00 61.24 H new ATOM 0 HG21 VAL A 85 -0.667 2.298 -3.037 1.00 2.30 H new ATOM 0 HG22 VAL A 85 -1.369 0.841 -2.295 1.00 2.30 H new ATOM 0 HG23 VAL A 85 -0.785 0.791 -3.975 1.00 2.30 H new ATOM 1445 N HIS A 86 -5.938 0.594 -3.752 1.00 1.02 N ATOM 1446 CA HIS A 86 -7.313 1.012 -4.005 1.00 44.31 C ATOM 1447 C HIS A 86 -7.682 2.077 -2.956 1.00 31.33 C ATOM 1448 O HIS A 86 -7.085 2.104 -1.881 1.00 44.32 O ATOM 1449 CB HIS A 86 -8.271 -0.202 -3.925 1.00 44.34 C ATOM 1450 CG HIS A 86 -7.885 -1.373 -4.811 1.00 0.22 C ATOM 1451 ND1 HIS A 86 -8.427 -1.587 -6.056 1.00 64.02 N ATOM 1452 CD2 HIS A 86 -7.026 -2.412 -4.601 1.00 44.05 C ATOM 1453 CE1 HIS A 86 -7.923 -2.692 -6.574 1.00 44.55 C ATOM 1454 NE2 HIS A 86 -7.072 -3.217 -5.714 1.00 50.13 N ATOM 0 H HIS A 86 -5.843 -0.030 -2.950 1.00 1.02 H new ATOM 0 HA HIS A 86 -7.406 1.431 -5.007 1.00 44.31 H new ATOM 0 HB2 HIS A 86 -8.316 -0.545 -2.891 1.00 44.34 H new ATOM 0 HB3 HIS A 86 -9.275 0.126 -4.196 1.00 44.34 H new ATOM 0 HD2 HIS A 86 -6.421 -2.573 -3.721 1.00 44.05 H new ATOM 0 HE1 HIS A 86 -8.168 -3.099 -7.544 1.00 44.55 H new ATOM 0 HE2 HIS A 86 -6.538 -4.075 -5.852 1.00 50.13 H new ATOM 1463 N SER A 87 -8.626 2.970 -3.284 1.00 13.34 N ATOM 1464 CA SER A 87 -9.139 3.967 -2.324 1.00 61.30 C ATOM 1465 C SER A 87 -10.522 4.459 -2.770 1.00 75.32 C ATOM 1466 O SER A 87 -10.633 5.230 -3.729 1.00 63.44 O ATOM 1467 CB SER A 87 -8.147 5.140 -2.164 1.00 35.13 C ATOM 1468 OG SER A 87 -7.860 5.751 -3.407 1.00 71.11 O ATOM 0 H SER A 87 -9.053 3.025 -4.209 1.00 13.34 H new ATOM 0 HA SER A 87 -9.242 3.495 -1.347 1.00 61.30 H new ATOM 0 HB2 SER A 87 -8.565 5.880 -1.482 1.00 35.13 H new ATOM 0 HB3 SER A 87 -7.223 4.777 -1.714 1.00 35.13 H new ATOM 0 HG SER A 87 -7.023 6.255 -3.338 1.00 71.11 H new ATOM 1474 N GLY A 88 -11.578 3.993 -2.078 1.00 64.43 N ATOM 1475 CA GLY A 88 -12.955 4.305 -2.463 1.00 31.02 C ATOM 1476 C GLY A 88 -13.375 3.548 -3.722 1.00 41.32 C ATOM 1477 O GLY A 88 -14.025 2.501 -3.639 1.00 33.22 O ATOM 0 H GLY A 88 -11.498 3.400 -1.252 1.00 64.43 H new ATOM 0 HA2 GLY A 88 -13.628 4.051 -1.644 1.00 31.02 H new ATOM 0 HA3 GLY A 88 -13.051 5.377 -2.634 1.00 31.02 H new ATOM 1481 N GLY A 89 -12.970 4.076 -4.890 1.00 23.42 N ATOM 1482 CA GLY A 89 -13.155 3.413 -6.191 1.00 63.42 C ATOM 1483 C GLY A 89 -11.948 3.597 -7.108 1.00 24.11 C ATOM 1484 O GLY A 89 -11.986 3.195 -8.272 1.00 3.31 O ATOM 0 H GLY A 89 -12.502 4.980 -4.957 1.00 23.42 H new ATOM 0 HA2 GLY A 89 -13.330 2.349 -6.033 1.00 63.42 H new ATOM 0 HA3 GLY A 89 -14.044 3.814 -6.678 1.00 63.42 H new ATOM 1488 N GLN A 90 -10.872 4.193 -6.561 1.00 2.21 N ATOM 1489 CA GLN A 90 -9.633 4.516 -7.296 1.00 0.51 C ATOM 1490 C GLN A 90 -8.658 3.326 -7.222 1.00 21.12 C ATOM 1491 O GLN A 90 -8.656 2.625 -6.218 1.00 35.43 O ATOM 1492 CB GLN A 90 -8.986 5.771 -6.644 1.00 10.40 C ATOM 1493 CG GLN A 90 -9.944 6.966 -6.457 1.00 54.42 C ATOM 1494 CD GLN A 90 -9.333 8.105 -5.635 1.00 22.31 C ATOM 1495 OE1 GLN A 90 -8.728 9.031 -6.179 1.00 30.25 O ATOM 1496 NE2 GLN A 90 -9.452 8.026 -4.313 1.00 12.35 N ATOM 0 H GLN A 90 -10.838 4.469 -5.580 1.00 2.21 H new ATOM 0 HA GLN A 90 -9.861 4.716 -8.343 1.00 0.51 H new ATOM 0 HB2 GLN A 90 -8.582 5.491 -5.671 1.00 10.40 H new ATOM 0 HB3 GLN A 90 -8.144 6.090 -7.259 1.00 10.40 H new ATOM 0 HG2 GLN A 90 -10.234 7.348 -7.436 1.00 54.42 H new ATOM 0 HG3 GLN A 90 -10.854 6.621 -5.967 1.00 54.42 H new ATOM 0 HE21 GLN A 90 -9.959 7.247 -3.892 1.00 12.35 H new ATOM 0 HE22 GLN A 90 -9.036 8.744 -3.720 1.00 12.35 H new ATOM 1505 N THR A 91 -7.842 3.091 -8.274 1.00 5.30 N ATOM 1506 CA THR A 91 -6.832 1.999 -8.281 1.00 63.20 C ATOM 1507 C THR A 91 -5.530 2.438 -8.994 1.00 73.45 C ATOM 1508 O THR A 91 -5.560 2.896 -10.136 1.00 32.15 O ATOM 1509 CB THR A 91 -7.384 0.694 -8.962 1.00 74.14 C ATOM 1510 OG1 THR A 91 -8.586 0.257 -8.296 1.00 14.13 O ATOM 1511 CG2 THR A 91 -6.351 -0.456 -8.940 1.00 25.31 C ATOM 0 H THR A 91 -7.860 3.642 -9.132 1.00 5.30 H new ATOM 0 HA THR A 91 -6.610 1.779 -7.237 1.00 63.20 H new ATOM 0 HB THR A 91 -7.596 0.942 -10.002 1.00 74.14 H new ATOM 0 HG1 THR A 91 -8.352 -0.358 -7.570 1.00 14.13 H new ATOM 0 HG21 THR A 91 -6.777 -1.337 -9.421 1.00 25.31 H new ATOM 0 HG22 THR A 91 -5.453 -0.148 -9.475 1.00 25.31 H new ATOM 0 HG23 THR A 91 -6.094 -0.695 -7.908 1.00 25.31 H new ATOM 1519 N TRP A 92 -4.398 2.289 -8.288 1.00 0.42 N ATOM 1520 CA TRP A 92 -3.034 2.436 -8.836 1.00 21.34 C ATOM 1521 C TRP A 92 -2.327 1.080 -8.712 1.00 35.21 C ATOM 1522 O TRP A 92 -2.446 0.423 -7.675 1.00 3.45 O ATOM 1523 CB TRP A 92 -2.248 3.516 -8.046 1.00 24.42 C ATOM 1524 CG TRP A 92 -2.923 4.868 -8.032 1.00 10.11 C ATOM 1525 CD1 TRP A 92 -2.757 5.890 -8.925 1.00 31.13 C ATOM 1526 CD2 TRP A 92 -3.878 5.340 -7.067 1.00 14.52 C ATOM 1527 NE1 TRP A 92 -3.553 6.951 -8.582 1.00 3.03 N ATOM 1528 CE2 TRP A 92 -4.246 6.642 -7.442 1.00 71.04 C ATOM 1529 CE3 TRP A 92 -4.457 4.781 -5.924 1.00 42.13 C ATOM 1530 CZ2 TRP A 92 -5.162 7.396 -6.712 1.00 1.34 C ATOM 1531 CZ3 TRP A 92 -5.355 5.525 -5.205 1.00 52.42 C ATOM 1532 CH2 TRP A 92 -5.702 6.822 -5.600 1.00 73.31 C ATOM 0 H TRP A 92 -4.403 2.057 -7.295 1.00 0.42 H new ATOM 0 HA TRP A 92 -3.082 2.748 -9.879 1.00 21.34 H new ATOM 0 HB2 TRP A 92 -2.113 3.176 -7.019 1.00 24.42 H new ATOM 0 HB3 TRP A 92 -1.254 3.620 -8.481 1.00 24.42 H new ATOM 0 HD1 TRP A 92 -2.094 5.865 -9.777 1.00 31.13 H new ATOM 0 HE1 TRP A 92 -3.619 7.831 -9.094 1.00 3.03 H new ATOM 0 HE3 TRP A 92 -4.201 3.779 -5.613 1.00 42.13 H new ATOM 0 HZ2 TRP A 92 -5.434 8.396 -7.015 1.00 1.34 H new ATOM 0 HZ3 TRP A 92 -5.803 5.103 -4.318 1.00 52.42 H new ATOM 0 HH2 TRP A 92 -6.414 7.381 -5.010 1.00 73.31 H new ATOM 1543 N THR A 93 -1.601 0.656 -9.752 1.00 42.00 N ATOM 1544 CA THR A 93 -0.919 -0.654 -9.767 1.00 74.43 C ATOM 1545 C THR A 93 0.576 -0.479 -10.124 1.00 1.32 C ATOM 1546 O THR A 93 0.921 -0.135 -11.261 1.00 30.34 O ATOM 1547 CB THR A 93 -1.613 -1.637 -10.775 1.00 65.54 C ATOM 1548 OG1 THR A 93 -1.648 -1.059 -12.093 1.00 12.32 O ATOM 1549 CG2 THR A 93 -3.052 -1.996 -10.349 1.00 2.15 C ATOM 0 H THR A 93 -1.467 1.202 -10.603 1.00 42.00 H new ATOM 0 HA THR A 93 -0.991 -1.086 -8.769 1.00 74.43 H new ATOM 0 HB THR A 93 -1.021 -2.552 -10.778 1.00 65.54 H new ATOM 0 HG1 THR A 93 -0.855 -0.498 -12.226 1.00 12.32 H new ATOM 0 HG21 THR A 93 -3.488 -2.678 -11.079 1.00 2.15 H new ATOM 0 HG22 THR A 93 -3.033 -2.476 -9.370 1.00 2.15 H new ATOM 0 HG23 THR A 93 -3.653 -1.088 -10.296 1.00 2.15 H new ATOM 1557 N PHE A 94 1.440 -0.679 -9.119 1.00 65.55 N ATOM 1558 CA PHE A 94 2.905 -0.671 -9.275 1.00 43.14 C ATOM 1559 C PHE A 94 3.371 -2.108 -9.541 1.00 11.24 C ATOM 1560 O PHE A 94 2.862 -3.036 -8.916 1.00 13.03 O ATOM 1561 CB PHE A 94 3.582 -0.122 -7.987 1.00 61.21 C ATOM 1562 CG PHE A 94 3.066 1.246 -7.546 1.00 20.43 C ATOM 1563 CD1 PHE A 94 3.639 2.421 -8.038 1.00 64.41 C ATOM 1564 CD2 PHE A 94 2.000 1.357 -6.649 1.00 43.44 C ATOM 1565 CE1 PHE A 94 3.165 3.660 -7.643 1.00 2.24 C ATOM 1566 CE2 PHE A 94 1.529 2.597 -6.256 1.00 74.55 C ATOM 1567 CZ PHE A 94 2.110 3.746 -6.755 1.00 2.12 C ATOM 0 H PHE A 94 1.139 -0.854 -8.160 1.00 65.55 H new ATOM 0 HA PHE A 94 3.184 -0.026 -10.108 1.00 43.14 H new ATOM 0 HB2 PHE A 94 3.429 -0.835 -7.177 1.00 61.21 H new ATOM 0 HB3 PHE A 94 4.657 -0.056 -8.154 1.00 61.21 H new ATOM 0 HD1 PHE A 94 4.462 2.362 -8.735 1.00 64.41 H new ATOM 0 HD2 PHE A 94 1.538 0.463 -6.257 1.00 43.44 H new ATOM 0 HE1 PHE A 94 3.620 4.560 -8.029 1.00 2.24 H new ATOM 0 HE2 PHE A 94 0.707 2.666 -5.559 1.00 74.55 H new ATOM 0 HZ PHE A 94 1.739 4.714 -6.451 1.00 2.12 H new ATOM 1577 N ASN A 95 4.298 -2.289 -10.485 1.00 72.11 N ATOM 1578 CA ASN A 95 4.868 -3.615 -10.805 1.00 64.42 C ATOM 1579 C ASN A 95 6.357 -3.471 -11.149 1.00 30.14 C ATOM 1580 O ASN A 95 6.751 -2.533 -11.857 1.00 24.40 O ATOM 1581 CB ASN A 95 4.074 -4.278 -11.968 1.00 34.45 C ATOM 1582 CG ASN A 95 4.136 -3.488 -13.282 1.00 42.22 C ATOM 1583 OD1 ASN A 95 4.960 -3.761 -14.156 1.00 63.12 O ATOM 1584 ND2 ASN A 95 3.303 -2.468 -13.410 1.00 71.44 N ATOM 0 H ASN A 95 4.678 -1.530 -11.050 1.00 72.11 H new ATOM 0 HA ASN A 95 4.782 -4.266 -9.935 1.00 64.42 H new ATOM 0 HB2 ASN A 95 4.465 -5.281 -12.138 1.00 34.45 H new ATOM 0 HB3 ASN A 95 3.032 -4.388 -11.669 1.00 34.45 H new ATOM 0 HD21 ASN A 95 3.334 -1.886 -14.247 1.00 71.44 H new ATOM 0 HD22 ASN A 95 2.630 -2.263 -12.671 1.00 71.44 H new ATOM 1591 N GLU A 96 7.188 -4.376 -10.613 1.00 31.03 N ATOM 1592 CA GLU A 96 8.622 -4.451 -10.964 1.00 54.43 C ATOM 1593 C GLU A 96 8.788 -5.056 -12.362 1.00 24.41 C ATOM 1594 O GLU A 96 8.239 -6.124 -12.650 1.00 11.35 O ATOM 1595 CB GLU A 96 9.409 -5.279 -9.903 1.00 1.22 C ATOM 1596 CG GLU A 96 9.806 -4.495 -8.630 1.00 44.23 C ATOM 1597 CD GLU A 96 8.623 -3.817 -7.906 1.00 32.24 C ATOM 1598 OE1 GLU A 96 7.876 -4.518 -7.204 1.00 73.31 O ATOM 1599 OE2 GLU A 96 8.441 -2.581 -8.041 1.00 45.11 O ATOM 0 H GLU A 96 6.893 -5.073 -9.929 1.00 31.03 H new ATOM 0 HA GLU A 96 9.034 -3.442 -10.971 1.00 54.43 H new ATOM 0 HB2 GLU A 96 8.803 -6.137 -9.610 1.00 1.22 H new ATOM 0 HB3 GLU A 96 10.314 -5.672 -10.367 1.00 1.22 H new ATOM 0 HG2 GLU A 96 10.298 -5.177 -7.937 1.00 44.23 H new ATOM 0 HG3 GLU A 96 10.536 -3.732 -8.900 1.00 44.23 H new ATOM 1606 N LYS A 97 9.521 -4.342 -13.231 1.00 65.32 N ATOM 1607 CA LYS A 97 9.850 -4.805 -14.584 1.00 22.32 C ATOM 1608 C LYS A 97 10.851 -5.975 -14.511 1.00 73.32 C ATOM 1609 O LYS A 97 10.481 -7.119 -14.835 1.00 13.34 O ATOM 1610 CB LYS A 97 10.430 -3.635 -15.433 1.00 33.41 C ATOM 1611 CG LYS A 97 9.437 -2.486 -15.699 1.00 53.12 C ATOM 1612 CD LYS A 97 8.186 -2.929 -16.495 1.00 14.31 C ATOM 1613 CE LYS A 97 8.525 -3.488 -17.889 1.00 33.42 C ATOM 1614 NZ LYS A 97 7.302 -3.895 -18.634 1.00 41.32 N ATOM 1615 OXT LYS A 97 12.001 -5.739 -14.089 1.00 38.12 O ATOM 0 H LYS A 97 9.903 -3.422 -13.011 1.00 65.32 H new ATOM 0 HA LYS A 97 8.939 -5.156 -15.069 1.00 22.32 H new ATOM 0 HB2 LYS A 97 11.305 -3.232 -14.923 1.00 33.41 H new ATOM 0 HB3 LYS A 97 10.772 -4.031 -16.389 1.00 33.41 H new ATOM 0 HG2 LYS A 97 9.121 -2.061 -14.747 1.00 53.12 H new ATOM 0 HG3 LYS A 97 9.947 -1.694 -16.248 1.00 53.12 H new ATOM 0 HD2 LYS A 97 7.650 -3.689 -15.926 1.00 14.31 H new ATOM 0 HD3 LYS A 97 7.512 -2.079 -16.605 1.00 14.31 H new ATOM 0 HE2 LYS A 97 9.065 -2.734 -18.461 1.00 33.42 H new ATOM 0 HE3 LYS A 97 9.189 -4.346 -17.785 1.00 33.42 H new ATOM 0 HZ1 LYS A 97 7.571 -4.266 -19.567 1.00 41.32 H new ATOM 0 HZ2 LYS A 97 6.800 -4.633 -18.100 1.00 41.32 H new ATOM 0 HZ3 LYS A 97 6.679 -3.071 -18.756 1.00 41.32 H new TER 1629 LYS A 97