USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 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 47 ASN : amide:sc= 0.042 K(o=0.042,f=-3.7!) USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.75) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 33 LYS NZ :NH3+ -178:sc= 0.924 (180deg=0.886) USER MOD Set 3.2: A 48 TYR OH : rot 120:sc= 0.0275 USER MOD Set 4.1: A 10 SER OG : rot 180:sc= -0.04 USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 0 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.0442 K(o=0.044,f=-5.2!) USER MOD Single : A 13 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.038) USER MOD Single : A 16 SER OG : rot 118:sc= 0.563 USER MOD Single : A 20 THR OG1 : rot 111:sc= 1.23 USER MOD Single : A 21 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.16) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 32 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00037 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 170:sc= -0.082 USER MOD Single : A 49 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.6!) USER MOD Single : A 51 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.32) USER MOD Single : A 57 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 61 SER OG : rot -53:sc= -2.99! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.0047) USER MOD Single : A 67 HIS : no HD1:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 69 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.730 2.796 -18.585 1.00 54.22 N ATOM 2 CA MET A 1 -20.110 3.838 -19.434 1.00 61.45 C ATOM 3 C MET A 1 -18.952 4.500 -18.705 1.00 43.04 C ATOM 4 O MET A 1 -19.116 5.023 -17.601 1.00 64.21 O ATOM 5 CB MET A 1 -21.147 4.893 -19.832 1.00 30.25 C ATOM 6 CG MET A 1 -20.590 5.983 -20.731 1.00 0.53 C ATOM 7 SD MET A 1 -21.838 7.190 -21.218 1.00 65.14 S ATOM 8 CE MET A 1 -20.839 8.333 -22.170 1.00 65.55 C ATOM 0 H1 MET A 1 -21.519 2.354 -19.098 1.00 54.22 H new ATOM 0 H2 MET A 1 -20.021 2.072 -18.350 1.00 54.22 H new ATOM 0 H3 MET A 1 -21.086 3.229 -17.709 1.00 54.22 H new ATOM 0 HA MET A 1 -19.730 3.360 -20.337 1.00 61.45 H new ATOM 0 HB2 MET A 1 -21.976 4.402 -20.341 1.00 30.25 H new ATOM 0 HB3 MET A 1 -21.553 5.350 -18.930 1.00 30.25 H new ATOM 0 HG2 MET A 1 -19.778 6.495 -20.214 1.00 0.53 H new ATOM 0 HG3 MET A 1 -20.163 5.528 -21.624 1.00 0.53 H new ATOM 0 HE1 MET A 1 -21.467 9.142 -22.543 1.00 65.55 H new ATOM 0 HE2 MET A 1 -20.055 8.746 -21.536 1.00 65.55 H new ATOM 0 HE3 MET A 1 -20.387 7.808 -23.011 1.00 65.55 H new ATOM 20 N ILE A 2 -17.784 4.478 -19.330 1.00 52.44 N ATOM 21 CA ILE A 2 -16.592 5.072 -18.751 1.00 31.42 C ATOM 22 C ILE A 2 -15.971 6.068 -19.720 1.00 55.13 C ATOM 23 O ILE A 2 -16.219 6.012 -20.926 1.00 33.32 O ATOM 24 CB ILE A 2 -15.542 4.006 -18.367 1.00 5.43 C ATOM 25 CG1 ILE A 2 -15.225 3.107 -19.567 1.00 44.35 C ATOM 26 CG2 ILE A 2 -16.030 3.181 -17.183 1.00 24.21 C ATOM 27 CD1 ILE A 2 -14.143 2.084 -19.289 1.00 65.54 C ATOM 0 H ILE A 2 -17.638 4.051 -20.245 1.00 52.44 H new ATOM 0 HA ILE A 2 -16.901 5.586 -17.841 1.00 31.42 H new ATOM 0 HB ILE A 2 -14.623 4.513 -18.072 1.00 5.43 H new ATOM 0 HG12 ILE A 2 -16.134 2.588 -19.872 1.00 44.35 H new ATOM 0 HG13 ILE A 2 -14.917 3.731 -20.406 1.00 44.35 H new ATOM 0 HG21 ILE A 2 -15.279 2.435 -16.925 1.00 24.21 H new ATOM 0 HG22 ILE A 2 -16.199 3.836 -16.328 1.00 24.21 H new ATOM 0 HG23 ILE A 2 -16.962 2.681 -17.447 1.00 24.21 H new ATOM 0 HD11 ILE A 2 -13.972 1.484 -20.182 1.00 65.54 H new ATOM 0 HD12 ILE A 2 -13.221 2.596 -19.013 1.00 65.54 H new ATOM 0 HD13 ILE A 2 -14.457 1.436 -18.471 1.00 65.54 H new ATOM 39 N GLY A 3 -15.185 6.984 -19.185 1.00 25.21 N ATOM 40 CA GLY A 3 -14.539 7.985 -20.007 1.00 74.15 C ATOM 41 C GLY A 3 -13.831 9.035 -19.175 1.00 12.42 C ATOM 42 O GLY A 3 -13.000 9.785 -19.685 1.00 51.01 O ATOM 0 H GLY A 3 -14.980 7.054 -18.188 1.00 25.21 H new ATOM 0 HA2 GLY A 3 -13.820 7.502 -20.668 1.00 74.15 H new ATOM 0 HA3 GLY A 3 -15.282 8.467 -20.642 1.00 74.15 H new ATOM 46 N ASP A 4 -14.157 9.088 -17.890 1.00 11.02 N ATOM 47 CA ASP A 4 -13.539 10.039 -16.977 1.00 51.30 C ATOM 48 C ASP A 4 -12.306 9.432 -16.331 1.00 12.42 C ATOM 49 O ASP A 4 -12.394 8.788 -15.283 1.00 54.44 O ATOM 50 CB ASP A 4 -14.528 10.476 -15.889 1.00 24.53 C ATOM 51 CG ASP A 4 -15.647 11.347 -16.419 1.00 65.21 C ATOM 52 OD1 ASP A 4 -16.615 10.802 -16.987 1.00 73.50 O ATOM 53 OD2 ASP A 4 -15.570 12.583 -16.264 1.00 21.42 O ATOM 0 H ASP A 4 -14.850 8.479 -17.455 1.00 11.02 H new ATOM 0 HA ASP A 4 -13.246 10.915 -17.556 1.00 51.30 H new ATOM 0 HB2 ASP A 4 -14.956 9.591 -15.419 1.00 24.53 H new ATOM 0 HB3 ASP A 4 -13.989 11.020 -15.113 1.00 24.53 H new ATOM 58 N TYR A 5 -11.163 9.610 -16.970 1.00 32.14 N ATOM 59 CA TYR A 5 -9.901 9.135 -16.424 1.00 71.04 C ATOM 60 C TYR A 5 -9.216 10.251 -15.647 1.00 55.24 C ATOM 61 O TYR A 5 -8.100 10.655 -15.964 1.00 22.01 O ATOM 62 CB TYR A 5 -8.987 8.620 -17.537 1.00 65.20 C ATOM 63 CG TYR A 5 -9.481 7.347 -18.186 1.00 22.34 C ATOM 64 CD1 TYR A 5 -10.369 7.385 -19.254 1.00 35.41 C ATOM 65 CD2 TYR A 5 -9.060 6.105 -17.726 1.00 30.04 C ATOM 66 CE1 TYR A 5 -10.824 6.222 -19.843 1.00 30.54 C ATOM 67 CE2 TYR A 5 -9.512 4.938 -18.311 1.00 51.24 C ATOM 68 CZ TYR A 5 -10.392 5.002 -19.369 1.00 53.43 C ATOM 69 OH TYR A 5 -10.848 3.841 -19.951 1.00 62.12 O ATOM 0 H TYR A 5 -11.082 10.082 -17.871 1.00 32.14 H new ATOM 0 HA TYR A 5 -10.107 8.307 -15.745 1.00 71.04 H new ATOM 0 HB2 TYR A 5 -8.887 9.392 -18.300 1.00 65.20 H new ATOM 0 HB3 TYR A 5 -7.992 8.447 -17.127 1.00 65.20 H new ATOM 0 HD1 TYR A 5 -10.709 8.339 -19.629 1.00 35.41 H new ATOM 0 HD2 TYR A 5 -8.369 6.051 -16.898 1.00 30.04 H new ATOM 0 HE1 TYR A 5 -11.515 6.268 -20.671 1.00 30.54 H new ATOM 0 HE2 TYR A 5 -9.177 3.980 -17.941 1.00 51.24 H new ATOM 0 HH TYR A 5 -10.446 3.069 -19.500 1.00 62.12 H new ATOM 79 N TYR A 6 -9.893 10.727 -14.612 1.00 61.34 N ATOM 80 CA TYR A 6 -9.416 11.855 -13.818 1.00 54.41 C ATOM 81 C TYR A 6 -8.399 11.409 -12.766 1.00 61.51 C ATOM 82 O TYR A 6 -8.345 11.976 -11.672 1.00 43.53 O ATOM 83 CB TYR A 6 -10.608 12.551 -13.149 1.00 43.51 C ATOM 84 CG TYR A 6 -11.470 11.640 -12.290 1.00 43.21 C ATOM 85 CD1 TYR A 6 -12.545 10.949 -12.836 1.00 72.34 C ATOM 86 CD2 TYR A 6 -11.211 11.480 -10.934 1.00 61.42 C ATOM 87 CE1 TYR A 6 -13.333 10.124 -12.056 1.00 25.21 C ATOM 88 CE2 TYR A 6 -11.993 10.656 -10.149 1.00 62.51 C ATOM 89 CZ TYR A 6 -13.053 9.981 -10.714 1.00 54.10 C ATOM 90 OH TYR A 6 -13.837 9.163 -9.931 1.00 15.20 O ATOM 0 H TYR A 6 -10.785 10.345 -14.298 1.00 61.34 H new ATOM 0 HA TYR A 6 -8.912 12.556 -14.484 1.00 54.41 H new ATOM 0 HB2 TYR A 6 -10.235 13.367 -12.530 1.00 43.51 H new ATOM 0 HB3 TYR A 6 -11.233 12.998 -13.923 1.00 43.51 H new ATOM 0 HD1 TYR A 6 -12.768 11.058 -13.887 1.00 72.34 H new ATOM 0 HD2 TYR A 6 -10.383 12.010 -10.486 1.00 61.42 H new ATOM 0 HE1 TYR A 6 -14.165 9.594 -12.496 1.00 25.21 H new ATOM 0 HE2 TYR A 6 -11.775 10.541 -9.098 1.00 62.51 H new ATOM 0 HH TYR A 6 -13.503 9.174 -9.010 1.00 15.20 H new ATOM 100 N ILE A 7 -7.570 10.429 -13.129 1.00 54.10 N ATOM 101 CA ILE A 7 -6.607 9.820 -12.209 1.00 73.24 C ATOM 102 C ILE A 7 -7.329 8.892 -11.225 1.00 73.34 C ATOM 103 O ILE A 7 -8.489 9.124 -10.886 1.00 31.03 O ATOM 104 CB ILE A 7 -5.773 10.887 -11.443 1.00 23.31 C ATOM 105 CG1 ILE A 7 -5.066 11.829 -12.424 1.00 43.34 C ATOM 106 CG2 ILE A 7 -4.751 10.234 -10.524 1.00 40.42 C ATOM 107 CD1 ILE A 7 -4.088 11.136 -13.350 1.00 52.14 C ATOM 0 H ILE A 7 -7.547 10.035 -14.069 1.00 54.10 H new ATOM 0 HA ILE A 7 -5.908 9.234 -12.806 1.00 73.24 H new ATOM 0 HB ILE A 7 -6.464 11.467 -10.831 1.00 23.31 H new ATOM 0 HG12 ILE A 7 -5.817 12.342 -13.024 1.00 43.34 H new ATOM 0 HG13 ILE A 7 -4.534 12.594 -11.858 1.00 43.34 H new ATOM 0 HG21 ILE A 7 -4.184 11.006 -10.003 1.00 40.42 H new ATOM 0 HG22 ILE A 7 -5.265 9.607 -9.795 1.00 40.42 H new ATOM 0 HG23 ILE A 7 -4.070 9.620 -11.114 1.00 40.42 H new ATOM 0 HD11 ILE A 7 -3.630 11.871 -14.012 1.00 52.14 H new ATOM 0 HD12 ILE A 7 -3.313 10.647 -12.760 1.00 52.14 H new ATOM 0 HD13 ILE A 7 -4.616 10.391 -13.945 1.00 52.14 H new ATOM 119 N ASN A 8 -6.646 7.817 -10.822 1.00 12.55 N ATOM 120 CA ASN A 8 -7.181 6.811 -9.890 1.00 40.32 C ATOM 121 C ASN A 8 -8.197 5.895 -10.571 1.00 13.50 C ATOM 122 O ASN A 8 -8.216 4.687 -10.325 1.00 23.34 O ATOM 123 CB ASN A 8 -7.821 7.449 -8.643 1.00 54.24 C ATOM 124 CG ASN A 8 -6.836 8.232 -7.799 1.00 42.12 C ATOM 125 OD1 ASN A 8 -6.108 7.663 -6.988 1.00 41.23 O ATOM 126 ND2 ASN A 8 -6.833 9.546 -7.954 1.00 53.11 N ATOM 0 H ASN A 8 -5.696 7.615 -11.135 1.00 12.55 H new ATOM 0 HA ASN A 8 -6.326 6.217 -9.569 1.00 40.32 H new ATOM 0 HB2 ASN A 8 -8.628 8.111 -8.956 1.00 54.24 H new ATOM 0 HB3 ASN A 8 -8.270 6.666 -8.032 1.00 54.24 H new ATOM 0 HD21 ASN A 8 -6.211 10.125 -7.389 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -7.452 9.980 -8.638 1.00 53.11 H new ATOM 133 N ALA A 9 -9.014 6.465 -11.448 1.00 63.21 N ATOM 134 CA ALA A 9 -10.090 5.729 -12.110 1.00 70.22 C ATOM 135 C ALA A 9 -9.570 4.698 -13.116 1.00 63.54 C ATOM 136 O ALA A 9 -10.354 4.024 -13.788 1.00 74.42 O ATOM 137 CB ALA A 9 -11.033 6.705 -12.797 1.00 64.01 C ATOM 0 H ALA A 9 -8.952 7.446 -11.721 1.00 63.21 H new ATOM 0 HA ALA A 9 -10.625 5.174 -11.339 1.00 70.22 H new ATOM 0 HB1 ALA A 9 -11.833 6.152 -13.289 1.00 64.01 H new ATOM 0 HB2 ALA A 9 -11.461 7.380 -12.056 1.00 64.01 H new ATOM 0 HB3 ALA A 9 -10.482 7.283 -13.539 1.00 64.01 H new ATOM 143 N SER A 10 -8.253 4.583 -13.228 1.00 42.44 N ATOM 144 CA SER A 10 -7.647 3.583 -14.092 1.00 2.34 C ATOM 145 C SER A 10 -7.798 2.190 -13.485 1.00 13.13 C ATOM 146 O SER A 10 -7.903 1.202 -14.214 1.00 45.24 O ATOM 147 CB SER A 10 -6.171 3.911 -14.306 1.00 54.35 C ATOM 148 OG SER A 10 -6.016 5.237 -14.783 1.00 42.42 O ATOM 0 H SER A 10 -7.585 5.171 -12.730 1.00 42.44 H new ATOM 0 HA SER A 10 -8.157 3.594 -15.055 1.00 2.34 H new ATOM 0 HB2 SER A 10 -5.627 3.790 -13.369 1.00 54.35 H new ATOM 0 HB3 SER A 10 -5.737 3.210 -15.019 1.00 54.35 H new ATOM 0 HG SER A 10 -5.064 5.429 -14.912 1.00 42.42 H new ATOM 154 N ALA A 11 -7.795 2.133 -12.144 1.00 63.45 N ATOM 155 CA ALA A 11 -7.995 0.892 -11.378 1.00 72.12 C ATOM 156 C ALA A 11 -6.811 -0.076 -11.481 1.00 51.22 C ATOM 157 O ALA A 11 -6.424 -0.703 -10.496 1.00 73.25 O ATOM 158 CB ALA A 11 -9.289 0.200 -11.793 1.00 70.12 C ATOM 0 H ALA A 11 -7.652 2.954 -11.556 1.00 63.45 H new ATOM 0 HA ALA A 11 -8.068 1.187 -10.331 1.00 72.12 H new ATOM 0 HB1 ALA A 11 -9.415 -0.714 -11.213 1.00 70.12 H new ATOM 0 HB2 ALA A 11 -10.133 0.865 -11.609 1.00 70.12 H new ATOM 0 HB3 ALA A 11 -9.246 -0.046 -12.854 1.00 70.12 H new ATOM 164 N LEU A 12 -6.224 -0.178 -12.660 1.00 74.25 N ATOM 165 CA LEU A 12 -5.175 -1.156 -12.918 1.00 62.21 C ATOM 166 C LEU A 12 -3.799 -0.650 -12.480 1.00 71.41 C ATOM 167 O LEU A 12 -2.777 -1.137 -12.954 1.00 42.21 O ATOM 168 CB LEU A 12 -5.145 -1.502 -14.412 1.00 52.31 C ATOM 169 CG LEU A 12 -6.484 -1.943 -15.017 1.00 42.45 C ATOM 170 CD1 LEU A 12 -6.309 -2.301 -16.484 1.00 53.31 C ATOM 171 CD2 LEU A 12 -7.070 -3.122 -14.254 1.00 74.54 C ATOM 0 H LEU A 12 -6.456 0.408 -13.462 1.00 74.25 H new ATOM 0 HA LEU A 12 -5.403 -2.046 -12.332 1.00 62.21 H new ATOM 0 HB2 LEU A 12 -4.788 -0.631 -14.961 1.00 52.31 H new ATOM 0 HB3 LEU A 12 -4.417 -2.298 -14.568 1.00 52.31 H new ATOM 0 HG LEU A 12 -7.180 -1.108 -14.937 1.00 42.45 H new ATOM 0 HD11 LEU A 12 -7.268 -2.612 -16.899 1.00 53.31 H new ATOM 0 HD12 LEU A 12 -5.942 -1.432 -17.029 1.00 53.31 H new ATOM 0 HD13 LEU A 12 -5.592 -3.117 -16.576 1.00 53.31 H new ATOM 0 HD21 LEU A 12 -8.019 -3.412 -14.706 1.00 74.54 H new ATOM 0 HD22 LEU A 12 -6.377 -3.962 -14.294 1.00 74.54 H new ATOM 0 HD23 LEU A 12 -7.235 -2.837 -13.215 1.00 74.54 H new ATOM 183 N ASN A 13 -3.766 0.303 -11.555 1.00 62.10 N ATOM 184 CA ASN A 13 -2.505 0.931 -11.168 1.00 51.42 C ATOM 185 C ASN A 13 -2.177 0.692 -9.691 1.00 52.44 C ATOM 186 O ASN A 13 -1.212 1.242 -9.170 1.00 41.45 O ATOM 187 CB ASN A 13 -2.566 2.434 -11.451 1.00 72.52 C ATOM 188 CG ASN A 13 -1.197 3.055 -11.685 1.00 21.15 C ATOM 189 OD1 ASN A 13 -0.735 3.157 -12.823 1.00 40.25 O ATOM 190 ND2 ASN A 13 -0.530 3.463 -10.619 1.00 72.42 N ATOM 0 H ASN A 13 -4.587 0.656 -11.063 1.00 62.10 H new ATOM 0 HA ASN A 13 -1.712 0.475 -11.760 1.00 51.42 H new ATOM 0 HB2 ASN A 13 -3.191 2.607 -12.327 1.00 72.52 H new ATOM 0 HB3 ASN A 13 -3.047 2.936 -10.612 1.00 72.52 H new ATOM 0 HD21 ASN A 13 0.396 3.877 -10.725 1.00 72.42 H new ATOM 0 HD22 ASN A 13 -0.942 3.364 -9.691 1.00 72.42 H new ATOM 197 N VAL A 14 -2.962 -0.133 -9.014 1.00 12.05 N ATOM 198 CA VAL A 14 -2.789 -0.329 -7.580 1.00 54.22 C ATOM 199 C VAL A 14 -1.685 -1.356 -7.311 1.00 21.53 C ATOM 200 O VAL A 14 -1.870 -2.298 -6.552 1.00 2.24 O ATOM 201 CB VAL A 14 -4.108 -0.782 -6.909 1.00 63.14 C ATOM 202 CG1 VAL A 14 -4.024 -0.654 -5.394 1.00 63.44 C ATOM 203 CG2 VAL A 14 -5.288 0.020 -7.436 1.00 50.40 C ATOM 0 H VAL A 14 -3.720 -0.674 -9.430 1.00 12.05 H new ATOM 0 HA VAL A 14 -2.500 0.629 -7.147 1.00 54.22 H new ATOM 0 HB VAL A 14 -4.261 -1.832 -7.159 1.00 63.14 H new ATOM 0 HG11 VAL A 14 -4.964 -0.979 -4.949 1.00 63.44 H new ATOM 0 HG12 VAL A 14 -3.211 -1.277 -5.021 1.00 63.44 H new ATOM 0 HG13 VAL A 14 -3.836 0.386 -5.127 1.00 63.44 H new ATOM 0 HG21 VAL A 14 -6.203 -0.317 -6.949 1.00 50.40 H new ATOM 0 HG22 VAL A 14 -5.133 1.078 -7.224 1.00 50.40 H new ATOM 0 HG23 VAL A 14 -5.375 -0.125 -8.513 1.00 50.40 H new ATOM 213 N ARG A 15 -0.538 -1.180 -7.950 1.00 12.03 N ATOM 214 CA ARG A 15 0.546 -2.145 -7.833 1.00 1.12 C ATOM 215 C ARG A 15 1.813 -1.514 -7.261 1.00 3.12 C ATOM 216 O ARG A 15 2.715 -1.102 -7.998 1.00 64.23 O ATOM 217 CB ARG A 15 0.820 -2.797 -9.187 1.00 72.31 C ATOM 218 CG ARG A 15 0.870 -1.810 -10.341 1.00 64.23 C ATOM 219 CD ARG A 15 0.981 -2.526 -11.672 1.00 10.22 C ATOM 220 NE ARG A 15 0.847 -1.606 -12.800 1.00 0.13 N ATOM 221 CZ ARG A 15 0.176 -1.889 -13.915 1.00 12.34 C ATOM 222 NH1 ARG A 15 -0.392 -3.080 -14.071 1.00 61.32 N ATOM 223 NH2 ARG A 15 0.075 -0.980 -14.873 1.00 43.42 N ATOM 0 H ARG A 15 -0.334 -0.382 -8.552 1.00 12.03 H new ATOM 0 HA ARG A 15 0.231 -2.916 -7.130 1.00 1.12 H new ATOM 0 HB2 ARG A 15 1.768 -3.333 -9.137 1.00 72.31 H new ATOM 0 HB3 ARG A 15 0.046 -3.538 -9.387 1.00 72.31 H new ATOM 0 HG2 ARG A 15 -0.027 -1.191 -10.332 1.00 64.23 H new ATOM 0 HG3 ARG A 15 1.721 -1.141 -10.213 1.00 64.23 H new ATOM 0 HD2 ARG A 15 1.943 -3.035 -11.731 1.00 10.22 H new ATOM 0 HD3 ARG A 15 0.210 -3.294 -11.736 1.00 10.22 H new ATOM 0 HE ARG A 15 1.294 -0.692 -12.729 1.00 0.13 H new ATOM 0 HH11 ARG A 15 -0.315 -3.782 -13.335 1.00 61.32 H new ATOM 0 HH12 ARG A 15 -0.905 -3.292 -14.927 1.00 61.32 H new ATOM 0 HH21 ARG A 15 0.511 -0.065 -14.756 1.00 43.42 H new ATOM 0 HH22 ARG A 15 -0.438 -1.195 -15.728 1.00 43.42 H new ATOM 237 N SER A 16 1.853 -1.427 -5.932 1.00 23.41 N ATOM 238 CA SER A 16 3.020 -0.926 -5.204 1.00 63.25 C ATOM 239 C SER A 16 3.368 0.508 -5.614 1.00 13.30 C ATOM 240 O SER A 16 4.513 0.938 -5.494 1.00 64.20 O ATOM 241 CB SER A 16 4.212 -1.850 -5.450 1.00 72.13 C ATOM 242 OG SER A 16 3.858 -3.206 -5.226 1.00 51.53 O ATOM 0 H SER A 16 1.078 -1.702 -5.329 1.00 23.41 H new ATOM 0 HA SER A 16 2.779 -0.914 -4.141 1.00 63.25 H new ATOM 0 HB2 SER A 16 4.567 -1.727 -6.473 1.00 72.13 H new ATOM 0 HB3 SER A 16 5.035 -1.571 -4.792 1.00 72.13 H new ATOM 0 HG SER A 16 3.967 -3.714 -6.057 1.00 51.53 H new ATOM 248 N GLY A 17 2.370 1.241 -6.085 1.00 41.12 N ATOM 249 CA GLY A 17 2.595 2.600 -6.537 1.00 61.15 C ATOM 250 C GLY A 17 2.370 2.732 -8.026 1.00 53.01 C ATOM 251 O GLY A 17 1.487 2.078 -8.576 1.00 72.14 O ATOM 0 H GLY A 17 1.405 0.918 -6.163 1.00 41.12 H new ATOM 0 HA2 GLY A 17 1.926 3.277 -6.005 1.00 61.15 H new ATOM 0 HA3 GLY A 17 3.614 2.902 -6.294 1.00 61.15 H new ATOM 255 N GLU A 18 3.183 3.555 -8.680 1.00 44.33 N ATOM 256 CA GLU A 18 3.101 3.732 -10.128 1.00 13.45 C ATOM 257 C GLU A 18 3.368 2.414 -10.854 1.00 52.54 C ATOM 258 O GLU A 18 2.884 2.191 -11.964 1.00 42.51 O ATOM 259 CB GLU A 18 4.105 4.791 -10.590 1.00 52.04 C ATOM 260 CG GLU A 18 3.852 6.170 -10.000 1.00 3.01 C ATOM 261 CD GLU A 18 2.554 6.782 -10.484 1.00 53.33 C ATOM 262 OE1 GLU A 18 1.488 6.436 -9.941 1.00 31.11 O ATOM 263 OE2 GLU A 18 2.598 7.620 -11.409 1.00 42.03 O ATOM 0 H GLU A 18 3.909 4.112 -8.230 1.00 44.33 H new ATOM 0 HA GLU A 18 2.092 4.064 -10.372 1.00 13.45 H new ATOM 0 HB2 GLU A 18 5.110 4.468 -10.320 1.00 52.04 H new ATOM 0 HB3 GLU A 18 4.074 4.859 -11.677 1.00 52.04 H new ATOM 0 HG2 GLU A 18 3.832 6.098 -8.913 1.00 3.01 H new ATOM 0 HG3 GLU A 18 4.680 6.830 -10.260 1.00 3.01 H new ATOM 270 N GLY A 19 4.137 1.547 -10.212 1.00 20.11 N ATOM 271 CA GLY A 19 4.457 0.259 -10.788 1.00 53.24 C ATOM 272 C GLY A 19 5.813 -0.227 -10.330 1.00 72.14 C ATOM 273 O GLY A 19 6.733 -0.378 -11.132 1.00 44.14 O ATOM 0 H GLY A 19 4.548 1.716 -9.294 1.00 20.11 H new ATOM 0 HA2 GLY A 19 3.694 -0.467 -10.507 1.00 53.24 H new ATOM 0 HA3 GLY A 19 4.443 0.331 -11.876 1.00 53.24 H new ATOM 277 N THR A 20 5.938 -0.460 -9.033 1.00 3.11 N ATOM 278 CA THR A 20 7.214 -0.839 -8.453 1.00 3.35 C ATOM 279 C THR A 20 7.411 -2.354 -8.503 1.00 51.02 C ATOM 280 O THR A 20 8.337 -2.850 -9.146 1.00 5.14 O ATOM 281 CB THR A 20 7.314 -0.340 -6.998 1.00 20.45 C ATOM 282 OG1 THR A 20 6.826 1.006 -6.915 1.00 14.51 O ATOM 283 CG2 THR A 20 8.751 -0.392 -6.507 1.00 64.22 C ATOM 0 H THR A 20 5.171 -0.393 -8.364 1.00 3.11 H new ATOM 0 HA THR A 20 8.003 -0.371 -9.042 1.00 3.35 H new ATOM 0 HB THR A 20 6.708 -0.991 -6.367 1.00 20.45 H new ATOM 0 HG1 THR A 20 5.979 1.017 -6.422 1.00 14.51 H new ATOM 0 HG21 THR A 20 8.797 -0.035 -5.478 1.00 64.22 H new ATOM 0 HG22 THR A 20 9.114 -1.419 -6.552 1.00 64.22 H new ATOM 0 HG23 THR A 20 9.374 0.241 -7.139 1.00 64.22 H new ATOM 291 N ASN A 21 6.530 -3.082 -7.835 1.00 0.32 N ATOM 292 CA ASN A 21 6.553 -4.538 -7.861 1.00 52.31 C ATOM 293 C ASN A 21 5.207 -5.048 -8.329 1.00 2.51 C ATOM 294 O ASN A 21 4.167 -4.674 -7.784 1.00 41.12 O ATOM 295 CB ASN A 21 6.910 -5.111 -6.487 1.00 53.35 C ATOM 296 CG ASN A 21 8.402 -5.060 -6.205 1.00 10.42 C ATOM 297 OD1 ASN A 21 8.828 -4.836 -5.072 1.00 35.53 O ATOM 298 ND2 ASN A 21 9.209 -5.291 -7.231 1.00 12.12 N ATOM 0 H ASN A 21 5.784 -2.685 -7.264 1.00 0.32 H new ATOM 0 HA ASN A 21 7.324 -4.869 -8.557 1.00 52.31 H new ATOM 0 HB2 ASN A 21 6.378 -4.554 -5.715 1.00 53.35 H new ATOM 0 HB3 ASN A 21 6.567 -6.144 -6.428 1.00 53.35 H new ATOM 0 HD21 ASN A 21 10.220 -5.287 -7.096 1.00 12.12 H new ATOM 0 HD22 ASN A 21 8.819 -5.473 -8.156 1.00 12.12 H new ATOM 305 N TYR A 22 5.233 -5.901 -9.343 1.00 0.41 N ATOM 306 CA TYR A 22 4.019 -6.299 -10.045 1.00 34.33 C ATOM 307 C TYR A 22 3.492 -7.632 -9.526 1.00 25.21 C ATOM 308 O TYR A 22 2.551 -8.198 -10.083 1.00 1.33 O ATOM 309 CB TYR A 22 4.295 -6.415 -11.547 1.00 60.30 C ATOM 310 CG TYR A 22 5.289 -5.402 -12.087 1.00 4.22 C ATOM 311 CD1 TYR A 22 5.073 -4.032 -11.964 1.00 63.41 C ATOM 312 CD2 TYR A 22 6.449 -5.825 -12.728 1.00 21.23 C ATOM 313 CE1 TYR A 22 5.981 -3.120 -12.464 1.00 21.43 C ATOM 314 CE2 TYR A 22 7.360 -4.915 -13.231 1.00 0.24 C ATOM 315 CZ TYR A 22 7.121 -3.565 -13.097 1.00 74.43 C ATOM 316 OH TYR A 22 8.021 -2.653 -13.600 1.00 63.31 O ATOM 0 H TYR A 22 6.085 -6.333 -9.700 1.00 0.41 H new ATOM 0 HA TYR A 22 3.264 -5.533 -9.866 1.00 34.33 H new ATOM 0 HB2 TYR A 22 4.667 -7.418 -11.758 1.00 60.30 H new ATOM 0 HB3 TYR A 22 3.354 -6.304 -12.086 1.00 60.30 H new ATOM 0 HD1 TYR A 22 4.181 -3.677 -11.470 1.00 63.41 H new ATOM 0 HD2 TYR A 22 6.641 -6.882 -12.834 1.00 21.23 H new ATOM 0 HE1 TYR A 22 5.798 -2.061 -12.359 1.00 21.43 H new ATOM 0 HE2 TYR A 22 8.255 -5.261 -13.727 1.00 0.24 H new ATOM 0 HH TYR A 22 8.771 -3.128 -14.015 1.00 63.31 H new ATOM 326 N ARG A 23 4.109 -8.136 -8.467 1.00 10.12 N ATOM 327 CA ARG A 23 3.727 -9.431 -7.919 1.00 63.41 C ATOM 328 C ARG A 23 2.989 -9.285 -6.595 1.00 60.51 C ATOM 329 O ARG A 23 1.885 -9.799 -6.432 1.00 2.22 O ATOM 330 CB ARG A 23 4.957 -10.311 -7.718 1.00 43.35 C ATOM 331 CG ARG A 23 5.691 -10.649 -9.001 1.00 1.15 C ATOM 332 CD ARG A 23 6.819 -11.629 -8.740 1.00 10.41 C ATOM 333 NE ARG A 23 6.332 -12.873 -8.142 1.00 43.45 N ATOM 334 CZ ARG A 23 7.117 -13.863 -7.728 1.00 45.35 C ATOM 335 NH1 ARG A 23 8.438 -13.751 -7.823 1.00 33.35 N ATOM 336 NH2 ARG A 23 6.576 -14.960 -7.216 1.00 71.51 N ATOM 0 H ARG A 23 4.871 -7.672 -7.972 1.00 10.12 H new ATOM 0 HA ARG A 23 3.056 -9.900 -8.638 1.00 63.41 H new ATOM 0 HB2 ARG A 23 5.645 -9.806 -7.040 1.00 43.35 H new ATOM 0 HB3 ARG A 23 4.652 -11.237 -7.231 1.00 43.35 H new ATOM 0 HG2 ARG A 23 4.993 -11.076 -9.722 1.00 1.15 H new ATOM 0 HG3 ARG A 23 6.092 -9.738 -9.446 1.00 1.15 H new ATOM 0 HD2 ARG A 23 7.331 -11.852 -9.676 1.00 10.41 H new ATOM 0 HD3 ARG A 23 7.553 -11.170 -8.077 1.00 10.41 H new ATOM 0 HE ARG A 23 5.324 -12.988 -8.036 1.00 43.45 H new ATOM 0 HH11 ARG A 23 8.851 -12.904 -8.214 1.00 33.35 H new ATOM 0 HH12 ARG A 23 9.039 -14.512 -7.505 1.00 33.35 H new ATOM 0 HH21 ARG A 23 5.562 -15.041 -7.141 1.00 71.51 H new ATOM 0 HH22 ARG A 23 7.174 -15.722 -6.897 1.00 71.51 H new ATOM 350 N ILE A 24 3.616 -8.590 -5.651 1.00 74.43 N ATOM 351 CA ILE A 24 3.072 -8.444 -4.301 1.00 1.50 C ATOM 352 C ILE A 24 1.700 -7.766 -4.316 1.00 45.34 C ATOM 353 O ILE A 24 0.787 -8.182 -3.605 1.00 62.43 O ATOM 354 CB ILE A 24 4.045 -7.655 -3.387 1.00 21.22 C ATOM 355 CG1 ILE A 24 3.415 -7.395 -2.012 1.00 13.05 C ATOM 356 CG2 ILE A 24 4.465 -6.345 -4.042 1.00 34.30 C ATOM 357 CD1 ILE A 24 4.326 -6.662 -1.048 1.00 53.04 C ATOM 0 H ILE A 24 4.507 -8.115 -5.796 1.00 74.43 H new ATOM 0 HA ILE A 24 2.951 -9.449 -3.896 1.00 1.50 H new ATOM 0 HB ILE A 24 4.937 -8.264 -3.243 1.00 21.22 H new ATOM 0 HG12 ILE A 24 2.502 -6.815 -2.145 1.00 13.05 H new ATOM 0 HG13 ILE A 24 3.126 -8.348 -1.570 1.00 13.05 H new ATOM 0 HG21 ILE A 24 5.147 -5.810 -3.381 1.00 34.30 H new ATOM 0 HG22 ILE A 24 4.965 -6.555 -4.987 1.00 34.30 H new ATOM 0 HG23 ILE A 24 3.583 -5.731 -4.227 1.00 34.30 H new ATOM 0 HD11 ILE A 24 3.810 -6.516 -0.099 1.00 53.04 H new ATOM 0 HD12 ILE A 24 5.229 -7.249 -0.883 1.00 53.04 H new ATOM 0 HD13 ILE A 24 4.595 -5.693 -1.468 1.00 53.04 H new ATOM 369 N ILE A 25 1.562 -6.735 -5.140 1.00 22.12 N ATOM 370 CA ILE A 25 0.322 -5.981 -5.243 1.00 34.42 C ATOM 371 C ILE A 25 0.035 -5.725 -6.729 1.00 73.13 C ATOM 372 O ILE A 25 0.930 -5.885 -7.561 1.00 5.45 O ATOM 373 CB ILE A 25 0.421 -4.645 -4.456 1.00 2.31 C ATOM 374 CG1 ILE A 25 0.979 -4.883 -3.050 1.00 3.03 C ATOM 375 CG2 ILE A 25 -0.925 -3.957 -4.368 1.00 22.41 C ATOM 376 CD1 ILE A 25 1.217 -3.614 -2.253 1.00 50.52 C ATOM 0 H ILE A 25 2.305 -6.400 -5.753 1.00 22.12 H new ATOM 0 HA ILE A 25 -0.496 -6.552 -4.804 1.00 34.42 H new ATOM 0 HB ILE A 25 1.104 -3.994 -5.001 1.00 2.31 H new ATOM 0 HG12 ILE A 25 0.287 -5.520 -2.499 1.00 3.03 H new ATOM 0 HG13 ILE A 25 1.919 -5.429 -3.132 1.00 3.03 H new ATOM 0 HG21 ILE A 25 -0.822 -3.025 -3.811 1.00 22.41 H new ATOM 0 HG22 ILE A 25 -1.290 -3.741 -5.372 1.00 22.41 H new ATOM 0 HG23 ILE A 25 -1.634 -4.608 -3.857 1.00 22.41 H new ATOM 0 HD11 ILE A 25 1.612 -3.870 -1.270 1.00 50.52 H new ATOM 0 HD12 ILE A 25 1.934 -2.983 -2.779 1.00 50.52 H new ATOM 0 HD13 ILE A 25 0.276 -3.076 -2.137 1.00 50.52 H new ATOM 388 N GLY A 26 -1.185 -5.323 -7.070 1.00 72.33 N ATOM 389 CA GLY A 26 -1.566 -5.244 -8.463 1.00 53.51 C ATOM 390 C GLY A 26 -2.991 -4.769 -8.639 1.00 71.12 C ATOM 391 O GLY A 26 -3.614 -4.285 -7.688 1.00 3.40 O ATOM 0 H GLY A 26 -1.912 -5.052 -6.408 1.00 72.33 H new ATOM 0 HA2 GLY A 26 -0.891 -4.565 -8.985 1.00 53.51 H new ATOM 0 HA3 GLY A 26 -1.452 -6.224 -8.925 1.00 53.51 H new ATOM 395 N ALA A 27 -3.521 -4.929 -9.842 1.00 63.14 N ATOM 396 CA ALA A 27 -4.838 -4.410 -10.166 1.00 11.44 C ATOM 397 C ALA A 27 -5.949 -5.333 -9.674 1.00 72.24 C ATOM 398 O ALA A 27 -6.357 -6.265 -10.371 1.00 2.53 O ATOM 399 CB ALA A 27 -4.957 -4.201 -11.665 1.00 61.43 C ATOM 0 H ALA A 27 -3.058 -5.415 -10.610 1.00 63.14 H new ATOM 0 HA ALA A 27 -4.954 -3.455 -9.654 1.00 11.44 H new ATOM 0 HB1 ALA A 27 -5.947 -3.812 -11.901 1.00 61.43 H new ATOM 0 HB2 ALA A 27 -4.200 -3.490 -11.994 1.00 61.43 H new ATOM 0 HB3 ALA A 27 -4.809 -5.151 -12.178 1.00 61.43 H new ATOM 405 N LEU A 28 -6.414 -5.067 -8.461 1.00 65.04 N ATOM 406 CA LEU A 28 -7.574 -5.742 -7.888 1.00 12.01 C ATOM 407 C LEU A 28 -7.936 -5.094 -6.548 1.00 41.51 C ATOM 408 O LEU A 28 -7.606 -5.606 -5.474 1.00 3.34 O ATOM 409 CB LEU A 28 -7.366 -7.269 -7.736 1.00 31.23 C ATOM 410 CG LEU A 28 -6.214 -7.742 -6.835 1.00 31.12 C ATOM 411 CD1 LEU A 28 -6.416 -9.201 -6.459 1.00 62.34 C ATOM 412 CD2 LEU A 28 -4.866 -7.576 -7.518 1.00 32.30 C ATOM 0 H LEU A 28 -5.995 -4.373 -7.842 1.00 65.04 H new ATOM 0 HA LEU A 28 -8.405 -5.622 -8.584 1.00 12.01 H new ATOM 0 HB2 LEU A 28 -8.291 -7.698 -7.352 1.00 31.23 H new ATOM 0 HB3 LEU A 28 -7.209 -7.688 -8.730 1.00 31.23 H new ATOM 0 HG LEU A 28 -6.219 -7.124 -5.937 1.00 31.12 H new ATOM 0 HD11 LEU A 28 -5.596 -9.529 -5.821 1.00 62.34 H new ATOM 0 HD12 LEU A 28 -7.359 -9.312 -5.924 1.00 62.34 H new ATOM 0 HD13 LEU A 28 -6.438 -9.810 -7.363 1.00 62.34 H new ATOM 0 HD21 LEU A 28 -4.075 -7.921 -6.851 1.00 32.30 H new ATOM 0 HD22 LEU A 28 -4.848 -8.164 -8.436 1.00 32.30 H new ATOM 0 HD23 LEU A 28 -4.706 -6.525 -7.757 1.00 32.30 H new ATOM 424 N PRO A 29 -8.589 -3.923 -6.602 1.00 75.15 N ATOM 425 CA PRO A 29 -8.959 -3.162 -5.417 1.00 43.41 C ATOM 426 C PRO A 29 -10.318 -3.575 -4.862 1.00 1.52 C ATOM 427 O PRO A 29 -11.347 -2.985 -5.191 1.00 21.03 O ATOM 428 CB PRO A 29 -8.991 -1.730 -5.941 1.00 51.22 C ATOM 429 CG PRO A 29 -9.397 -1.848 -7.377 1.00 2.52 C ATOM 430 CD PRO A 29 -9.025 -3.240 -7.835 1.00 25.13 C ATOM 0 HA PRO A 29 -8.270 -3.314 -4.586 1.00 43.41 H new ATOM 0 HB2 PRO A 29 -9.700 -1.121 -5.380 1.00 51.22 H new ATOM 0 HB3 PRO A 29 -8.015 -1.253 -5.845 1.00 51.22 H new ATOM 0 HG2 PRO A 29 -10.468 -1.680 -7.489 1.00 2.52 H new ATOM 0 HG3 PRO A 29 -8.891 -1.096 -7.983 1.00 2.52 H new ATOM 0 HD2 PRO A 29 -9.873 -3.748 -8.293 1.00 25.13 H new ATOM 0 HD3 PRO A 29 -8.229 -3.215 -8.579 1.00 25.13 H new ATOM 438 N GLN A 30 -10.315 -4.606 -4.034 1.00 2.31 N ATOM 439 CA GLN A 30 -11.544 -5.140 -3.479 1.00 24.32 C ATOM 440 C GLN A 30 -11.225 -6.059 -2.307 1.00 4.20 C ATOM 441 O GLN A 30 -10.117 -6.594 -2.217 1.00 75.10 O ATOM 442 CB GLN A 30 -12.305 -5.920 -4.556 1.00 41.40 C ATOM 443 CG GLN A 30 -13.702 -6.346 -4.141 1.00 12.10 C ATOM 444 CD GLN A 30 -14.302 -7.364 -5.087 1.00 41.15 C ATOM 445 OE1 GLN A 30 -13.998 -7.387 -6.280 1.00 72.43 O ATOM 446 NE2 GLN A 30 -15.156 -8.218 -4.556 1.00 1.44 N ATOM 0 H GLN A 30 -9.470 -5.091 -3.731 1.00 2.31 H new ATOM 0 HA GLN A 30 -12.165 -4.315 -3.129 1.00 24.32 H new ATOM 0 HB2 GLN A 30 -12.376 -5.305 -5.453 1.00 41.40 H new ATOM 0 HB3 GLN A 30 -11.730 -6.807 -4.822 1.00 41.40 H new ATOM 0 HG2 GLN A 30 -13.667 -6.765 -3.136 1.00 12.10 H new ATOM 0 HG3 GLN A 30 -14.348 -5.469 -4.098 1.00 12.10 H new ATOM 0 HE21 GLN A 30 -15.380 -8.164 -3.562 1.00 1.44 H new ATOM 0 HE22 GLN A 30 -15.592 -8.932 -5.139 1.00 1.44 H new ATOM 455 N GLY A 31 -12.185 -6.211 -1.406 1.00 72.33 N ATOM 456 CA GLY A 31 -12.055 -7.177 -0.336 1.00 34.21 C ATOM 457 C GLY A 31 -11.293 -6.648 0.859 1.00 24.42 C ATOM 458 O GLY A 31 -10.756 -5.542 0.830 1.00 44.31 O ATOM 0 H GLY A 31 -13.055 -5.679 -1.398 1.00 72.33 H new ATOM 0 HA2 GLY A 31 -13.049 -7.489 -0.015 1.00 34.21 H new ATOM 0 HA3 GLY A 31 -11.549 -8.064 -0.717 1.00 34.21 H new ATOM 462 N GLN A 32 -11.239 -7.454 1.908 1.00 52.30 N ATOM 463 CA GLN A 32 -10.556 -7.078 3.136 1.00 23.21 C ATOM 464 C GLN A 32 -9.112 -7.558 3.120 1.00 4.32 C ATOM 465 O GLN A 32 -8.399 -7.454 4.121 1.00 31.21 O ATOM 466 CB GLN A 32 -11.285 -7.660 4.349 1.00 51.42 C ATOM 467 CG GLN A 32 -12.706 -7.142 4.510 1.00 43.01 C ATOM 468 CD GLN A 32 -12.755 -5.649 4.759 1.00 25.43 C ATOM 469 OE1 GLN A 32 -12.836 -4.850 3.827 1.00 54.23 O ATOM 470 NE2 GLN A 32 -12.701 -5.260 6.020 1.00 62.30 N ATOM 0 H GLN A 32 -11.664 -8.381 1.933 1.00 52.30 H new ATOM 0 HA GLN A 32 -10.559 -5.990 3.207 1.00 23.21 H new ATOM 0 HB2 GLN A 32 -11.311 -8.746 4.261 1.00 51.42 H new ATOM 0 HB3 GLN A 32 -10.718 -7.427 5.250 1.00 51.42 H new ATOM 0 HG2 GLN A 32 -13.278 -7.376 3.612 1.00 43.01 H new ATOM 0 HG3 GLN A 32 -13.187 -7.661 5.339 1.00 43.01 H new ATOM 0 HE21 GLN A 32 -12.634 -5.953 6.765 1.00 62.30 H new ATOM 0 HE22 GLN A 32 -12.726 -4.266 6.249 1.00 62.30 H new ATOM 479 N LYS A 33 -8.685 -8.081 1.972 1.00 55.20 N ATOM 480 CA LYS A 33 -7.314 -8.552 1.807 1.00 22.41 C ATOM 481 C LYS A 33 -6.328 -7.392 1.862 1.00 4.40 C ATOM 482 O LYS A 33 -5.126 -7.596 2.014 1.00 40.53 O ATOM 483 CB LYS A 33 -7.148 -9.301 0.480 1.00 73.32 C ATOM 484 CG LYS A 33 -7.439 -8.447 -0.747 1.00 14.52 C ATOM 485 CD LYS A 33 -7.249 -9.235 -2.033 1.00 53.21 C ATOM 486 CE LYS A 33 -7.685 -8.433 -3.250 1.00 42.45 C ATOM 487 NZ LYS A 33 -6.906 -7.173 -3.396 1.00 20.23 N ATOM 0 H LYS A 33 -9.270 -8.189 1.143 1.00 55.20 H new ATOM 0 HA LYS A 33 -7.103 -9.236 2.629 1.00 22.41 H new ATOM 0 HB2 LYS A 33 -6.129 -9.682 0.413 1.00 73.32 H new ATOM 0 HB3 LYS A 33 -7.812 -10.165 0.476 1.00 73.32 H new ATOM 0 HG2 LYS A 33 -8.461 -8.072 -0.696 1.00 14.52 H new ATOM 0 HG3 LYS A 33 -6.781 -7.578 -0.751 1.00 14.52 H new ATOM 0 HD2 LYS A 33 -6.201 -9.515 -2.137 1.00 53.21 H new ATOM 0 HD3 LYS A 33 -7.823 -10.160 -1.982 1.00 53.21 H new ATOM 0 HE2 LYS A 33 -7.563 -9.040 -4.147 1.00 42.45 H new ATOM 0 HE3 LYS A 33 -8.746 -8.196 -3.167 1.00 42.45 H new ATOM 0 HZ1 LYS A 33 -7.258 -6.641 -4.217 1.00 20.23 H new ATOM 0 HZ2 LYS A 33 -7.015 -6.596 -2.537 1.00 20.23 H new ATOM 0 HZ3 LYS A 33 -5.901 -7.400 -3.535 1.00 20.23 H new ATOM 501 N VAL A 34 -6.842 -6.181 1.719 1.00 40.40 N ATOM 502 CA VAL A 34 -6.018 -4.991 1.787 1.00 22.14 C ATOM 503 C VAL A 34 -6.799 -3.834 2.401 1.00 72.11 C ATOM 504 O VAL A 34 -7.877 -3.469 1.932 1.00 32.24 O ATOM 505 CB VAL A 34 -5.467 -4.585 0.396 1.00 34.23 C ATOM 506 CG1 VAL A 34 -6.583 -4.447 -0.632 1.00 41.41 C ATOM 507 CG2 VAL A 34 -4.668 -3.293 0.496 1.00 3.34 C ATOM 0 H VAL A 34 -7.832 -5.999 1.554 1.00 40.40 H new ATOM 0 HA VAL A 34 -5.165 -5.225 2.424 1.00 22.14 H new ATOM 0 HB VAL A 34 -4.805 -5.382 0.057 1.00 34.23 H new ATOM 0 HG11 VAL A 34 -6.158 -4.161 -1.594 1.00 41.41 H new ATOM 0 HG12 VAL A 34 -7.104 -5.399 -0.734 1.00 41.41 H new ATOM 0 HG13 VAL A 34 -7.287 -3.682 -0.305 1.00 41.41 H new ATOM 0 HG21 VAL A 34 -4.289 -3.023 -0.489 1.00 3.34 H new ATOM 0 HG22 VAL A 34 -5.311 -2.496 0.869 1.00 3.34 H new ATOM 0 HG23 VAL A 34 -3.832 -3.434 1.181 1.00 3.34 H new ATOM 517 N GLN A 35 -6.262 -3.279 3.472 1.00 31.11 N ATOM 518 CA GLN A 35 -6.866 -2.126 4.110 1.00 1.20 C ATOM 519 C GLN A 35 -5.807 -1.060 4.334 1.00 34.55 C ATOM 520 O GLN A 35 -4.709 -1.358 4.811 1.00 30.03 O ATOM 521 CB GLN A 35 -7.515 -2.520 5.439 1.00 32.13 C ATOM 522 CG GLN A 35 -8.340 -1.406 6.063 1.00 2.12 C ATOM 523 CD GLN A 35 -8.906 -1.781 7.418 1.00 33.32 C ATOM 524 OE1 GLN A 35 -9.999 -2.341 7.517 1.00 65.21 O ATOM 525 NE2 GLN A 35 -8.171 -1.470 8.471 1.00 3.12 N ATOM 0 H GLN A 35 -5.407 -3.610 3.918 1.00 31.11 H new ATOM 0 HA GLN A 35 -7.645 -1.729 3.460 1.00 1.20 H new ATOM 0 HB2 GLN A 35 -8.154 -3.389 5.279 1.00 32.13 H new ATOM 0 HB3 GLN A 35 -6.736 -2.821 6.140 1.00 32.13 H new ATOM 0 HG2 GLN A 35 -7.720 -0.516 6.167 1.00 2.12 H new ATOM 0 HG3 GLN A 35 -9.159 -1.147 5.392 1.00 2.12 H new ATOM 0 HE21 GLN A 35 -7.271 -1.006 8.346 1.00 3.12 H new ATOM 0 HE22 GLN A 35 -8.503 -1.694 9.409 1.00 3.12 H new ATOM 534 N VAL A 36 -6.125 0.167 3.962 1.00 5.14 N ATOM 535 CA VAL A 36 -5.207 1.277 4.140 1.00 32.11 C ATOM 536 C VAL A 36 -5.171 1.714 5.604 1.00 31.33 C ATOM 537 O VAL A 36 -6.210 1.964 6.220 1.00 60.20 O ATOM 538 CB VAL A 36 -5.579 2.472 3.225 1.00 1.41 C ATOM 539 CG1 VAL A 36 -7.028 2.899 3.432 1.00 60.33 C ATOM 540 CG2 VAL A 36 -4.636 3.647 3.451 1.00 32.11 C ATOM 0 H VAL A 36 -7.015 0.420 3.533 1.00 5.14 H new ATOM 0 HA VAL A 36 -4.213 0.935 3.853 1.00 32.11 H new ATOM 0 HB VAL A 36 -5.471 2.141 2.192 1.00 1.41 H new ATOM 0 HG11 VAL A 36 -7.257 3.739 2.776 1.00 60.33 H new ATOM 0 HG12 VAL A 36 -7.690 2.065 3.199 1.00 60.33 H new ATOM 0 HG13 VAL A 36 -7.174 3.199 4.470 1.00 60.33 H new ATOM 0 HG21 VAL A 36 -4.919 4.472 2.797 1.00 32.11 H new ATOM 0 HG22 VAL A 36 -4.699 3.970 4.490 1.00 32.11 H new ATOM 0 HG23 VAL A 36 -3.614 3.341 3.228 1.00 32.11 H new ATOM 550 N ILE A 37 -3.975 1.772 6.172 1.00 43.35 N ATOM 551 CA ILE A 37 -3.814 2.215 7.545 1.00 51.02 C ATOM 552 C ILE A 37 -3.671 3.731 7.581 1.00 74.41 C ATOM 553 O ILE A 37 -4.458 4.423 8.228 1.00 53.02 O ATOM 554 CB ILE A 37 -2.585 1.561 8.211 1.00 65.13 C ATOM 555 CG1 ILE A 37 -2.679 0.036 8.123 1.00 0.23 C ATOM 556 CG2 ILE A 37 -2.466 2.002 9.661 1.00 71.12 C ATOM 557 CD1 ILE A 37 -1.378 -0.632 7.741 1.00 61.45 C ATOM 0 H ILE A 37 -3.105 1.518 5.703 1.00 43.35 H new ATOM 0 HA ILE A 37 -4.700 1.912 8.103 1.00 51.02 H new ATOM 0 HB ILE A 37 -1.691 1.885 7.678 1.00 65.13 H new ATOM 0 HG12 ILE A 37 -3.009 -0.355 9.085 1.00 0.23 H new ATOM 0 HG13 ILE A 37 -3.442 -0.231 7.392 1.00 0.23 H new ATOM 0 HG21 ILE A 37 -1.594 1.531 10.114 1.00 71.12 H new ATOM 0 HG22 ILE A 37 -2.356 3.086 9.704 1.00 71.12 H new ATOM 0 HG23 ILE A 37 -3.362 1.706 10.206 1.00 71.12 H new ATOM 0 HD11 ILE A 37 -1.522 -1.712 7.699 1.00 61.45 H new ATOM 0 HD12 ILE A 37 -1.056 -0.270 6.764 1.00 61.45 H new ATOM 0 HD13 ILE A 37 -0.616 -0.397 8.484 1.00 61.45 H new ATOM 569 N SER A 38 -2.683 4.231 6.853 1.00 14.10 N ATOM 570 CA SER A 38 -2.452 5.664 6.725 1.00 41.02 C ATOM 571 C SER A 38 -1.266 5.911 5.814 1.00 13.51 C ATOM 572 O SER A 38 -0.433 5.026 5.606 1.00 51.25 O ATOM 573 CB SER A 38 -2.208 6.324 8.091 1.00 64.45 C ATOM 574 OG SER A 38 -2.167 7.738 7.984 1.00 44.14 O ATOM 0 H SER A 38 -2.019 3.656 6.335 1.00 14.10 H new ATOM 0 HA SER A 38 -3.348 6.112 6.295 1.00 41.02 H new ATOM 0 HB2 SER A 38 -2.998 6.033 8.783 1.00 64.45 H new ATOM 0 HB3 SER A 38 -1.269 5.962 8.509 1.00 64.45 H new ATOM 0 HG SER A 38 -2.012 8.129 8.869 1.00 44.14 H new ATOM 580 N GLU A 39 -1.202 7.110 5.278 1.00 5.33 N ATOM 581 CA GLU A 39 -0.134 7.484 4.374 1.00 35.51 C ATOM 582 C GLU A 39 1.072 7.962 5.170 1.00 53.30 C ATOM 583 O GLU A 39 0.918 8.583 6.223 1.00 74.42 O ATOM 584 CB GLU A 39 -0.591 8.589 3.416 1.00 13.05 C ATOM 585 CG GLU A 39 -1.988 8.393 2.839 1.00 34.11 C ATOM 586 CD GLU A 39 -3.079 8.914 3.757 1.00 52.14 C ATOM 587 OE1 GLU A 39 -3.198 10.149 3.903 1.00 41.13 O ATOM 588 OE2 GLU A 39 -3.824 8.096 4.336 1.00 50.31 O ATOM 0 H GLU A 39 -1.883 7.849 5.454 1.00 5.33 H new ATOM 0 HA GLU A 39 0.140 6.608 3.786 1.00 35.51 H new ATOM 0 HB2 GLU A 39 -0.560 9.543 3.942 1.00 13.05 H new ATOM 0 HB3 GLU A 39 0.121 8.656 2.594 1.00 13.05 H new ATOM 0 HG2 GLU A 39 -2.054 8.902 1.877 1.00 34.11 H new ATOM 0 HG3 GLU A 39 -2.153 7.332 2.650 1.00 34.11 H new ATOM 595 N ASN A 40 2.267 7.673 4.681 1.00 72.31 N ATOM 596 CA ASN A 40 3.481 8.124 5.345 1.00 33.53 C ATOM 597 C ASN A 40 4.567 8.422 4.331 1.00 43.41 C ATOM 598 O ASN A 40 5.070 7.520 3.659 1.00 31.44 O ATOM 599 CB ASN A 40 3.986 7.081 6.346 1.00 72.12 C ATOM 600 CG ASN A 40 5.184 7.574 7.142 1.00 13.41 C ATOM 601 OD1 ASN A 40 6.338 7.376 6.751 1.00 64.34 O ATOM 602 ND2 ASN A 40 4.920 8.213 8.273 1.00 23.21 N ATOM 0 H ASN A 40 2.423 7.131 3.831 1.00 72.31 H new ATOM 0 HA ASN A 40 3.237 9.037 5.887 1.00 33.53 H new ATOM 0 HB2 ASN A 40 3.180 6.820 7.032 1.00 72.12 H new ATOM 0 HB3 ASN A 40 4.258 6.171 5.812 1.00 72.12 H new ATOM 0 HD21 ASN A 40 5.684 8.560 8.853 1.00 23.21 H new ATOM 0 HD22 ASN A 40 3.953 8.358 8.563 1.00 23.21 H new ATOM 609 N SER A 41 4.920 9.696 4.234 1.00 72.21 N ATOM 610 CA SER A 41 6.016 10.139 3.388 1.00 24.12 C ATOM 611 C SER A 41 5.790 9.734 1.924 1.00 5.44 C ATOM 612 O SER A 41 6.545 8.944 1.352 1.00 13.54 O ATOM 613 CB SER A 41 7.335 9.567 3.918 1.00 55.44 C ATOM 614 OG SER A 41 8.451 10.129 3.255 1.00 72.21 O ATOM 0 H SER A 41 4.454 10.450 4.739 1.00 72.21 H new ATOM 0 HA SER A 41 6.063 11.228 3.417 1.00 24.12 H new ATOM 0 HB2 SER A 41 7.412 9.760 4.988 1.00 55.44 H new ATOM 0 HB3 SER A 41 7.341 8.485 3.788 1.00 55.44 H new ATOM 0 HG SER A 41 9.276 9.744 3.618 1.00 72.21 H new ATOM 620 N GLY A 42 4.727 10.264 1.330 1.00 73.14 N ATOM 621 CA GLY A 42 4.461 10.025 -0.077 1.00 41.33 C ATOM 622 C GLY A 42 3.624 8.785 -0.317 1.00 14.04 C ATOM 623 O GLY A 42 2.539 8.862 -0.892 1.00 11.23 O ATOM 0 H GLY A 42 4.042 10.857 1.799 1.00 73.14 H new ATOM 0 HA2 GLY A 42 3.948 10.890 -0.497 1.00 41.33 H new ATOM 0 HA3 GLY A 42 5.407 9.927 -0.609 1.00 41.33 H new ATOM 627 N TRP A 43 4.130 7.645 0.122 1.00 25.12 N ATOM 628 CA TRP A 43 3.432 6.378 -0.054 1.00 43.54 C ATOM 629 C TRP A 43 2.538 6.088 1.142 1.00 32.12 C ATOM 630 O TRP A 43 2.726 6.650 2.219 1.00 35.33 O ATOM 631 CB TRP A 43 4.427 5.233 -0.265 1.00 43.43 C ATOM 632 CG TRP A 43 4.853 5.063 -1.696 1.00 23.41 C ATOM 633 CD1 TRP A 43 4.452 5.815 -2.765 1.00 32.22 C ATOM 634 CD2 TRP A 43 5.745 4.067 -2.219 1.00 51.02 C ATOM 635 NE1 TRP A 43 5.039 5.351 -3.917 1.00 2.33 N ATOM 636 CE2 TRP A 43 5.838 4.280 -3.609 1.00 51.34 C ATOM 637 CE3 TRP A 43 6.475 3.018 -1.651 1.00 60.03 C ATOM 638 CZ2 TRP A 43 6.628 3.484 -4.435 1.00 33.34 C ATOM 639 CZ3 TRP A 43 7.259 2.229 -2.473 1.00 44.41 C ATOM 640 CH2 TRP A 43 7.330 2.465 -3.853 1.00 41.12 C ATOM 0 H TRP A 43 5.025 7.569 0.605 1.00 25.12 H new ATOM 0 HA TRP A 43 2.807 6.458 -0.943 1.00 43.54 H new ATOM 0 HB2 TRP A 43 5.309 5.412 0.349 1.00 43.43 H new ATOM 0 HB3 TRP A 43 3.978 4.303 0.085 1.00 43.43 H new ATOM 0 HD1 TRP A 43 3.772 6.653 -2.712 1.00 32.22 H new ATOM 0 HE1 TRP A 43 4.903 5.740 -4.850 1.00 2.33 H new ATOM 0 HE3 TRP A 43 6.427 2.827 -0.589 1.00 60.03 H new ATOM 0 HZ2 TRP A 43 6.684 3.665 -5.498 1.00 33.34 H new ATOM 0 HZ3 TRP A 43 7.827 1.417 -2.044 1.00 44.41 H new ATOM 0 HH2 TRP A 43 7.951 1.830 -4.468 1.00 41.12 H new ATOM 651 N SER A 44 1.561 5.223 0.945 1.00 33.42 N ATOM 652 CA SER A 44 0.634 4.873 2.003 1.00 41.42 C ATOM 653 C SER A 44 0.955 3.482 2.540 1.00 31.25 C ATOM 654 O SER A 44 1.336 2.584 1.781 1.00 64.31 O ATOM 655 CB SER A 44 -0.806 4.924 1.484 1.00 60.53 C ATOM 656 OG SER A 44 -1.741 4.870 2.548 1.00 54.43 O ATOM 0 H SER A 44 1.389 4.749 0.059 1.00 33.42 H new ATOM 0 HA SER A 44 0.736 5.594 2.814 1.00 41.42 H new ATOM 0 HB2 SER A 44 -0.956 5.840 0.912 1.00 60.53 H new ATOM 0 HB3 SER A 44 -0.979 4.091 0.803 1.00 60.53 H new ATOM 0 HG SER A 44 -2.638 5.065 2.205 1.00 54.43 H new ATOM 662 N LYS A 45 0.812 3.312 3.850 1.00 41.42 N ATOM 663 CA LYS A 45 1.089 2.050 4.494 1.00 21.05 C ATOM 664 C LYS A 45 -0.139 1.162 4.490 1.00 22.21 C ATOM 665 O LYS A 45 -1.217 1.564 4.941 1.00 13.02 O ATOM 666 CB LYS A 45 1.550 2.284 5.926 1.00 62.34 C ATOM 667 CG LYS A 45 3.026 2.603 6.028 1.00 40.24 C ATOM 668 CD LYS A 45 3.703 1.810 7.130 1.00 12.11 C ATOM 669 CE LYS A 45 3.669 0.316 6.865 1.00 54.12 C ATOM 670 NZ LYS A 45 4.429 -0.440 7.896 1.00 32.30 N ATOM 0 H LYS A 45 0.502 4.047 4.486 1.00 41.42 H new ATOM 0 HA LYS A 45 1.881 1.550 3.937 1.00 21.05 H new ATOM 0 HB2 LYS A 45 0.976 3.104 6.357 1.00 62.34 H new ATOM 0 HB3 LYS A 45 1.334 1.397 6.521 1.00 62.34 H new ATOM 0 HG2 LYS A 45 3.510 2.387 5.076 1.00 40.24 H new ATOM 0 HG3 LYS A 45 3.155 3.669 6.217 1.00 40.24 H new ATOM 0 HD2 LYS A 45 4.738 2.137 7.227 1.00 12.11 H new ATOM 0 HD3 LYS A 45 3.212 2.020 8.080 1.00 12.11 H new ATOM 0 HE2 LYS A 45 2.635 -0.028 6.849 1.00 54.12 H new ATOM 0 HE3 LYS A 45 4.088 0.111 5.880 1.00 54.12 H new ATOM 0 HZ1 LYS A 45 4.807 -1.314 7.478 1.00 32.30 H new ATOM 0 HZ2 LYS A 45 5.215 0.144 8.246 1.00 32.30 H new ATOM 0 HZ3 LYS A 45 3.797 -0.680 8.687 1.00 32.30 H new ATOM 684 N ILE A 46 0.034 -0.053 4.003 1.00 42.21 N ATOM 685 CA ILE A 46 -1.075 -0.990 3.880 1.00 64.22 C ATOM 686 C ILE A 46 -0.624 -2.408 4.183 1.00 51.42 C ATOM 687 O ILE A 46 0.571 -2.704 4.206 1.00 52.13 O ATOM 688 CB ILE A 46 -1.703 -0.983 2.463 1.00 61.03 C ATOM 689 CG1 ILE A 46 -0.659 -1.371 1.410 1.00 33.12 C ATOM 690 CG2 ILE A 46 -2.315 0.376 2.141 1.00 5.34 C ATOM 691 CD1 ILE A 46 -1.246 -1.614 0.036 1.00 0.31 C ATOM 0 H ILE A 46 0.932 -0.417 3.685 1.00 42.21 H new ATOM 0 HA ILE A 46 -1.823 -0.662 4.602 1.00 64.22 H new ATOM 0 HB ILE A 46 -2.503 -1.723 2.444 1.00 61.03 H new ATOM 0 HG12 ILE A 46 0.088 -0.580 1.342 1.00 33.12 H new ATOM 0 HG13 ILE A 46 -0.141 -2.272 1.739 1.00 33.12 H new ATOM 0 HG21 ILE A 46 -2.748 0.352 1.141 1.00 5.34 H new ATOM 0 HG22 ILE A 46 -3.094 0.606 2.868 1.00 5.34 H new ATOM 0 HG23 ILE A 46 -1.541 1.143 2.183 1.00 5.34 H new ATOM 0 HD11 ILE A 46 -0.450 -1.884 -0.657 1.00 0.31 H new ATOM 0 HD12 ILE A 46 -1.972 -2.425 0.089 1.00 0.31 H new ATOM 0 HD13 ILE A 46 -1.740 -0.708 -0.314 1.00 0.31 H new ATOM 703 N ASN A 47 -1.590 -3.274 4.419 1.00 71.23 N ATOM 704 CA ASN A 47 -1.329 -4.697 4.539 1.00 12.11 C ATOM 705 C ASN A 47 -1.979 -5.406 3.363 1.00 22.03 C ATOM 706 O ASN A 47 -3.198 -5.353 3.201 1.00 3.43 O ATOM 707 CB ASN A 47 -1.880 -5.244 5.859 1.00 0.40 C ATOM 708 CG ASN A 47 -1.623 -6.732 6.027 1.00 51.23 C ATOM 709 OD1 ASN A 47 -2.421 -7.566 5.594 1.00 52.05 O ATOM 710 ND2 ASN A 47 -0.518 -7.076 6.673 1.00 33.52 N ATOM 0 H ASN A 47 -2.570 -3.015 4.532 1.00 71.23 H new ATOM 0 HA ASN A 47 -0.253 -4.871 4.533 1.00 12.11 H new ATOM 0 HB2 ASN A 47 -1.425 -4.704 6.690 1.00 0.40 H new ATOM 0 HB3 ASN A 47 -2.953 -5.057 5.906 1.00 0.40 H new ATOM 0 HD21 ASN A 47 -0.303 -8.061 6.827 1.00 33.52 H new ATOM 0 HD22 ASN A 47 0.117 -6.356 7.016 1.00 33.52 H new ATOM 717 N TYR A 48 -1.172 -6.045 2.533 1.00 71.45 N ATOM 718 CA TYR A 48 -1.682 -6.673 1.329 1.00 20.11 C ATOM 719 C TYR A 48 -1.616 -8.188 1.449 1.00 4.41 C ATOM 720 O TYR A 48 -0.540 -8.776 1.382 1.00 34.31 O ATOM 721 CB TYR A 48 -0.900 -6.206 0.098 1.00 23.35 C ATOM 722 CG TYR A 48 -1.730 -6.237 -1.167 1.00 53.42 C ATOM 723 CD1 TYR A 48 -2.590 -5.192 -1.470 1.00 1.32 C ATOM 724 CD2 TYR A 48 -1.683 -7.316 -2.036 1.00 22.30 C ATOM 725 CE1 TYR A 48 -3.384 -5.223 -2.597 1.00 74.04 C ATOM 726 CE2 TYR A 48 -2.466 -7.351 -3.173 1.00 23.03 C ATOM 727 CZ TYR A 48 -3.319 -6.302 -3.446 1.00 24.31 C ATOM 728 OH TYR A 48 -4.124 -6.340 -4.562 1.00 23.13 O ATOM 0 H TYR A 48 -0.166 -6.142 2.671 1.00 71.45 H new ATOM 0 HA TYR A 48 -2.724 -6.376 1.208 1.00 20.11 H new ATOM 0 HB2 TYR A 48 -0.538 -5.192 0.266 1.00 23.35 H new ATOM 0 HB3 TYR A 48 -0.023 -6.840 -0.032 1.00 23.35 H new ATOM 0 HD1 TYR A 48 -2.639 -4.338 -0.811 1.00 1.32 H new ATOM 0 HD2 TYR A 48 -1.023 -8.143 -1.820 1.00 22.30 H new ATOM 0 HE1 TYR A 48 -4.054 -4.403 -2.812 1.00 74.04 H new ATOM 0 HE2 TYR A 48 -2.411 -8.195 -3.845 1.00 23.03 H new ATOM 0 HH TYR A 48 -3.566 -6.390 -5.366 1.00 23.13 H new ATOM 738 N ASN A 49 -2.773 -8.798 1.665 1.00 55.12 N ATOM 739 CA ASN A 49 -2.904 -10.252 1.730 1.00 44.41 C ATOM 740 C ASN A 49 -2.087 -10.822 2.888 1.00 41.13 C ATOM 741 O ASN A 49 -1.538 -11.919 2.797 1.00 3.12 O ATOM 742 CB ASN A 49 -2.471 -10.901 0.408 1.00 65.33 C ATOM 743 CG ASN A 49 -3.091 -12.273 0.216 1.00 24.23 C ATOM 744 OD1 ASN A 49 -4.194 -12.539 0.693 1.00 42.42 O ATOM 745 ND2 ASN A 49 -2.390 -13.154 -0.475 1.00 63.22 N ATOM 0 H ASN A 49 -3.652 -8.299 1.801 1.00 55.12 H new ATOM 0 HA ASN A 49 -3.955 -10.483 1.901 1.00 44.41 H new ATOM 0 HB2 ASN A 49 -2.756 -10.255 -0.423 1.00 65.33 H new ATOM 0 HB3 ASN A 49 -1.385 -10.988 0.386 1.00 65.33 H new ATOM 0 HD21 ASN A 49 -2.760 -14.092 -0.629 1.00 63.22 H new ATOM 0 HD22 ASN A 49 -1.479 -12.896 -0.855 1.00 63.22 H new ATOM 752 N GLY A 50 -2.024 -10.079 3.983 1.00 31.40 N ATOM 753 CA GLY A 50 -1.325 -10.550 5.163 1.00 10.11 C ATOM 754 C GLY A 50 0.108 -10.060 5.245 1.00 53.35 C ATOM 755 O GLY A 50 0.713 -10.087 6.317 1.00 54.31 O ATOM 0 H GLY A 50 -2.446 -9.155 4.076 1.00 31.40 H new ATOM 0 HA2 GLY A 50 -1.865 -10.223 6.052 1.00 10.11 H new ATOM 0 HA3 GLY A 50 -1.330 -11.640 5.169 1.00 10.11 H new ATOM 759 N GLN A 51 0.657 -9.597 4.133 1.00 60.24 N ATOM 760 CA GLN A 51 2.005 -9.048 4.140 1.00 32.03 C ATOM 761 C GLN A 51 1.968 -7.536 3.977 1.00 20.22 C ATOM 762 O GLN A 51 1.255 -7.007 3.127 1.00 2.13 O ATOM 763 CB GLN A 51 2.881 -9.698 3.062 1.00 61.31 C ATOM 764 CG GLN A 51 2.243 -9.773 1.683 1.00 15.25 C ATOM 765 CD GLN A 51 3.062 -10.590 0.701 1.00 71.34 C ATOM 766 OE1 GLN A 51 2.883 -11.804 0.583 1.00 32.22 O ATOM 767 NE2 GLN A 51 3.966 -9.936 -0.009 1.00 0.31 N ATOM 0 H GLN A 51 0.196 -9.590 3.223 1.00 60.24 H new ATOM 0 HA GLN A 51 2.455 -9.277 5.106 1.00 32.03 H new ATOM 0 HB2 GLN A 51 3.814 -9.139 2.986 1.00 61.31 H new ATOM 0 HB3 GLN A 51 3.139 -10.707 3.383 1.00 61.31 H new ATOM 0 HG2 GLN A 51 1.248 -10.209 1.771 1.00 15.25 H new ATOM 0 HG3 GLN A 51 2.115 -8.764 1.291 1.00 15.25 H new ATOM 0 HE21 GLN A 51 4.084 -8.931 0.117 1.00 0.31 H new ATOM 0 HE22 GLN A 51 4.545 -10.437 -0.683 1.00 0.31 H new ATOM 776 N THR A 52 2.732 -6.849 4.803 1.00 1.43 N ATOM 777 CA THR A 52 2.715 -5.396 4.828 1.00 45.23 C ATOM 778 C THR A 52 3.432 -4.824 3.607 1.00 34.41 C ATOM 779 O THR A 52 4.547 -5.234 3.284 1.00 21.13 O ATOM 780 CB THR A 52 3.374 -4.872 6.116 1.00 63.20 C ATOM 781 OG1 THR A 52 2.893 -5.627 7.238 1.00 3.42 O ATOM 782 CG2 THR A 52 3.066 -3.397 6.330 1.00 65.22 C ATOM 0 H THR A 52 3.376 -7.274 5.470 1.00 1.43 H new ATOM 0 HA THR A 52 1.675 -5.070 4.805 1.00 45.23 H new ATOM 0 HB THR A 52 4.454 -4.987 6.021 1.00 63.20 H new ATOM 0 HG1 THR A 52 3.313 -5.296 8.059 1.00 3.42 H new ATOM 0 HG21 THR A 52 3.545 -3.055 7.247 1.00 65.22 H new ATOM 0 HG22 THR A 52 3.445 -2.820 5.486 1.00 65.22 H new ATOM 0 HG23 THR A 52 1.988 -3.258 6.410 1.00 65.22 H new ATOM 790 N GLY A 53 2.783 -3.884 2.932 1.00 21.40 N ATOM 791 CA GLY A 53 3.345 -3.315 1.727 1.00 11.52 C ATOM 792 C GLY A 53 3.118 -1.821 1.634 1.00 43.21 C ATOM 793 O GLY A 53 2.639 -1.196 2.586 1.00 74.43 O ATOM 0 H GLY A 53 1.875 -3.506 3.200 1.00 21.40 H new ATOM 0 HA2 GLY A 53 4.415 -3.520 1.697 1.00 11.52 H new ATOM 0 HA3 GLY A 53 2.903 -3.802 0.858 1.00 11.52 H new ATOM 797 N TYR A 54 3.458 -1.246 0.490 1.00 42.13 N ATOM 798 CA TYR A 54 3.299 0.185 0.271 1.00 33.04 C ATOM 799 C TYR A 54 2.710 0.443 -1.103 1.00 33.11 C ATOM 800 O TYR A 54 2.997 -0.285 -2.051 1.00 31.12 O ATOM 801 CB TYR A 54 4.642 0.910 0.380 1.00 24.21 C ATOM 802 CG TYR A 54 5.266 0.860 1.756 1.00 1.12 C ATOM 803 CD1 TYR A 54 6.128 -0.168 2.114 1.00 54.15 C ATOM 804 CD2 TYR A 54 4.993 1.845 2.695 1.00 40.34 C ATOM 805 CE1 TYR A 54 6.700 -0.214 3.368 1.00 72.31 C ATOM 806 CE2 TYR A 54 5.562 1.807 3.951 1.00 1.32 C ATOM 807 CZ TYR A 54 6.414 0.775 4.283 1.00 4.41 C ATOM 808 OH TYR A 54 6.982 0.732 5.532 1.00 50.32 O ATOM 0 H TYR A 54 3.848 -1.751 -0.306 1.00 42.13 H new ATOM 0 HA TYR A 54 2.626 0.566 1.040 1.00 33.04 H new ATOM 0 HB2 TYR A 54 5.337 0.473 -0.337 1.00 24.21 H new ATOM 0 HB3 TYR A 54 4.503 1.953 0.095 1.00 24.21 H new ATOM 0 HD1 TYR A 54 6.354 -0.945 1.398 1.00 54.15 H new ATOM 0 HD2 TYR A 54 4.325 2.654 2.438 1.00 40.34 H new ATOM 0 HE1 TYR A 54 7.368 -1.021 3.631 1.00 72.31 H new ATOM 0 HE2 TYR A 54 5.341 2.582 4.671 1.00 1.32 H new ATOM 0 HH TYR A 54 6.679 1.503 6.056 1.00 50.32 H new ATOM 818 N ILE A 55 1.881 1.468 -1.203 1.00 21.44 N ATOM 819 CA ILE A 55 1.341 1.889 -2.486 1.00 20.02 C ATOM 820 C ILE A 55 1.411 3.401 -2.615 1.00 53.21 C ATOM 821 O ILE A 55 1.577 4.110 -1.620 1.00 43.42 O ATOM 822 CB ILE A 55 -0.114 1.398 -2.710 1.00 31.03 C ATOM 823 CG1 ILE A 55 -0.997 1.641 -1.474 1.00 45.24 C ATOM 824 CG2 ILE A 55 -0.131 -0.077 -3.089 1.00 43.35 C ATOM 825 CD1 ILE A 55 -1.508 3.059 -1.339 1.00 71.44 C ATOM 0 H ILE A 55 1.566 2.026 -0.409 1.00 21.44 H new ATOM 0 HA ILE A 55 1.957 1.428 -3.259 1.00 20.02 H new ATOM 0 HB ILE A 55 -0.529 1.980 -3.533 1.00 31.03 H new ATOM 0 HG12 ILE A 55 -1.849 0.963 -1.513 1.00 45.24 H new ATOM 0 HG13 ILE A 55 -0.428 1.386 -0.580 1.00 45.24 H new ATOM 0 HG21 ILE A 55 -1.160 -0.402 -3.242 1.00 43.35 H new ATOM 0 HG22 ILE A 55 0.436 -0.223 -4.009 1.00 43.35 H new ATOM 0 HG23 ILE A 55 0.319 -0.664 -2.288 1.00 43.35 H new ATOM 0 HD11 ILE A 55 -2.121 3.141 -0.441 1.00 71.44 H new ATOM 0 HD12 ILE A 55 -0.664 3.745 -1.266 1.00 71.44 H new ATOM 0 HD13 ILE A 55 -2.108 3.314 -2.213 1.00 71.44 H new ATOM 837 N GLY A 56 1.297 3.886 -3.837 1.00 21.03 N ATOM 838 CA GLY A 56 1.359 5.308 -4.073 1.00 1.13 C ATOM 839 C GLY A 56 0.049 5.993 -3.759 1.00 45.33 C ATOM 840 O GLY A 56 -1.019 5.437 -3.997 1.00 11.11 O ATOM 0 H GLY A 56 1.162 3.318 -4.673 1.00 21.03 H new ATOM 0 HA2 GLY A 56 2.150 5.742 -3.462 1.00 1.13 H new ATOM 0 HA3 GLY A 56 1.623 5.491 -5.115 1.00 1.13 H new ATOM 844 N THR A 57 0.131 7.198 -3.222 1.00 31.42 N ATOM 845 CA THR A 57 -1.056 7.981 -2.921 1.00 74.21 C ATOM 846 C THR A 57 -1.490 8.744 -4.173 1.00 40.20 C ATOM 847 O THR A 57 -2.536 9.391 -4.207 1.00 73.34 O ATOM 848 CB THR A 57 -0.792 8.960 -1.755 1.00 32.33 C ATOM 849 OG1 THR A 57 -0.116 8.276 -0.691 1.00 43.03 O ATOM 850 CG2 THR A 57 -2.095 9.547 -1.219 1.00 23.33 C ATOM 0 H THR A 57 1.010 7.657 -2.985 1.00 31.42 H new ATOM 0 HA THR A 57 -1.855 7.307 -2.613 1.00 74.21 H new ATOM 0 HB THR A 57 -0.173 9.773 -2.134 1.00 32.33 H new ATOM 0 HG1 THR A 57 0.853 8.374 -0.802 1.00 43.03 H new ATOM 0 HG21 THR A 57 -1.876 10.232 -0.400 1.00 23.33 H new ATOM 0 HG22 THR A 57 -2.606 10.087 -2.016 1.00 23.33 H new ATOM 0 HG23 THR A 57 -2.735 8.742 -0.858 1.00 23.33 H new ATOM 858 N ARG A 58 -0.671 8.642 -5.214 1.00 74.34 N ATOM 859 CA ARG A 58 -0.971 9.260 -6.493 1.00 52.40 C ATOM 860 C ARG A 58 -2.017 8.453 -7.252 1.00 33.51 C ATOM 861 O ARG A 58 -2.848 9.018 -7.964 1.00 61.20 O ATOM 862 CB ARG A 58 0.302 9.400 -7.332 1.00 1.41 C ATOM 863 CG ARG A 58 0.687 10.838 -7.620 1.00 4.32 C ATOM 864 CD ARG A 58 -0.398 11.542 -8.409 1.00 74.13 C ATOM 865 NE ARG A 58 -0.022 12.900 -8.792 1.00 43.05 N ATOM 866 CZ ARG A 58 -0.902 13.879 -8.995 1.00 42.42 C ATOM 867 NH1 ARG A 58 -2.196 13.659 -8.808 1.00 0.04 N ATOM 868 NH2 ARG A 58 -0.493 15.079 -9.376 1.00 14.32 N ATOM 0 H ARG A 58 0.212 8.132 -5.192 1.00 74.34 H new ATOM 0 HA ARG A 58 -1.376 10.254 -6.303 1.00 52.40 H new ATOM 0 HB2 ARG A 58 1.125 8.910 -6.812 1.00 1.41 H new ATOM 0 HB3 ARG A 58 0.164 8.874 -8.277 1.00 1.41 H new ATOM 0 HG2 ARG A 58 0.861 11.366 -6.683 1.00 4.32 H new ATOM 0 HG3 ARG A 58 1.623 10.863 -8.179 1.00 4.32 H new ATOM 0 HD2 ARG A 58 -0.623 10.965 -9.306 1.00 74.13 H new ATOM 0 HD3 ARG A 58 -1.311 11.576 -7.814 1.00 74.13 H new ATOM 0 HE ARG A 58 0.969 13.110 -8.911 1.00 43.05 H new ATOM 0 HH11 ARG A 58 -2.519 12.739 -8.508 1.00 0.04 H new ATOM 0 HH12 ARG A 58 -2.869 14.410 -8.964 1.00 0.04 H new ATOM 0 HH21 ARG A 58 0.501 15.258 -9.516 1.00 14.32 H new ATOM 0 HH22 ARG A 58 -1.172 15.824 -9.530 1.00 14.32 H new ATOM 882 N TYR A 59 -1.977 7.137 -7.098 1.00 21.13 N ATOM 883 CA TYR A 59 -2.942 6.272 -7.752 1.00 10.00 C ATOM 884 C TYR A 59 -3.460 5.204 -6.807 1.00 13.12 C ATOM 885 O TYR A 59 -2.702 4.366 -6.320 1.00 71.11 O ATOM 886 CB TYR A 59 -2.313 5.602 -8.968 1.00 3.44 C ATOM 887 CG TYR A 59 -2.745 6.199 -10.285 1.00 72.22 C ATOM 888 CD1 TYR A 59 -2.077 7.286 -10.828 1.00 20.52 C ATOM 889 CD2 TYR A 59 -3.817 5.669 -10.988 1.00 53.24 C ATOM 890 CE1 TYR A 59 -2.466 7.832 -12.036 1.00 73.30 C ATOM 891 CE2 TYR A 59 -4.212 6.206 -12.196 1.00 23.11 C ATOM 892 CZ TYR A 59 -3.533 7.287 -12.716 1.00 31.35 C ATOM 893 OH TYR A 59 -3.931 7.827 -13.918 1.00 24.01 O ATOM 0 H TYR A 59 -1.288 6.648 -6.527 1.00 21.13 H new ATOM 0 HA TYR A 59 -3.780 6.895 -8.066 1.00 10.00 H new ATOM 0 HB2 TYR A 59 -1.228 5.670 -8.888 1.00 3.44 H new ATOM 0 HB3 TYR A 59 -2.568 4.542 -8.959 1.00 3.44 H new ATOM 0 HD1 TYR A 59 -1.239 7.713 -10.298 1.00 20.52 H new ATOM 0 HD2 TYR A 59 -4.351 4.822 -10.583 1.00 53.24 H new ATOM 0 HE1 TYR A 59 -1.937 8.680 -12.445 1.00 73.30 H new ATOM 0 HE2 TYR A 59 -5.049 5.782 -12.731 1.00 23.11 H new ATOM 0 HH TYR A 59 -4.697 7.324 -14.265 1.00 24.01 H new ATOM 903 N LEU A 60 -4.761 5.238 -6.574 1.00 52.21 N ATOM 904 CA LEU A 60 -5.445 4.224 -5.787 1.00 53.31 C ATOM 905 C LEU A 60 -6.785 3.918 -6.430 1.00 22.34 C ATOM 906 O LEU A 60 -7.181 4.566 -7.399 1.00 55.42 O ATOM 907 CB LEU A 60 -5.688 4.675 -4.335 1.00 72.41 C ATOM 908 CG LEU A 60 -4.450 5.006 -3.501 1.00 65.25 C ATOM 909 CD1 LEU A 60 -4.060 6.463 -3.683 1.00 64.23 C ATOM 910 CD2 LEU A 60 -4.706 4.701 -2.030 1.00 5.02 C ATOM 0 H LEU A 60 -5.376 5.972 -6.926 1.00 52.21 H new ATOM 0 HA LEU A 60 -4.806 3.341 -5.763 1.00 53.31 H new ATOM 0 HB2 LEU A 60 -6.330 5.556 -4.355 1.00 72.41 H new ATOM 0 HB3 LEU A 60 -6.243 3.889 -3.823 1.00 72.41 H new ATOM 0 HG LEU A 60 -3.623 4.384 -3.845 1.00 65.25 H new ATOM 0 HD11 LEU A 60 -3.177 6.681 -3.082 1.00 64.23 H new ATOM 0 HD12 LEU A 60 -3.840 6.652 -4.734 1.00 64.23 H new ATOM 0 HD13 LEU A 60 -4.883 7.103 -3.364 1.00 64.23 H new ATOM 0 HD21 LEU A 60 -3.816 4.941 -1.448 1.00 5.02 H new ATOM 0 HD22 LEU A 60 -5.545 5.300 -1.675 1.00 5.02 H new ATOM 0 HD23 LEU A 60 -4.941 3.643 -1.913 1.00 5.02 H new ATOM 922 N SER A 61 -7.476 2.927 -5.907 1.00 15.43 N ATOM 923 CA SER A 61 -8.823 2.632 -6.347 1.00 71.03 C ATOM 924 C SER A 61 -9.668 2.211 -5.158 1.00 71.24 C ATOM 925 O SER A 61 -9.302 1.298 -4.416 1.00 11.01 O ATOM 926 CB SER A 61 -8.808 1.548 -7.423 1.00 10.31 C ATOM 927 OG SER A 61 -8.010 1.946 -8.526 1.00 23.32 O ATOM 0 H SER A 61 -7.125 2.310 -5.174 1.00 15.43 H new ATOM 0 HA SER A 61 -9.262 3.528 -6.785 1.00 71.03 H new ATOM 0 HB2 SER A 61 -8.421 0.619 -7.005 1.00 10.31 H new ATOM 0 HB3 SER A 61 -9.826 1.347 -7.758 1.00 10.31 H new ATOM 0 HG SER A 61 -8.307 2.824 -8.844 1.00 23.32 H new ATOM 933 N LYS A 62 -10.776 2.908 -4.956 1.00 11.51 N ATOM 934 CA LYS A 62 -11.648 2.643 -3.827 1.00 2.13 C ATOM 935 C LYS A 62 -12.405 1.340 -4.056 1.00 65.24 C ATOM 936 O LYS A 62 -12.882 1.083 -5.158 1.00 70.35 O ATOM 937 CB LYS A 62 -12.604 3.820 -3.622 1.00 74.41 C ATOM 938 CG LYS A 62 -13.023 4.026 -2.174 1.00 55.15 C ATOM 939 CD LYS A 62 -13.429 5.468 -1.932 1.00 42.13 C ATOM 940 CE LYS A 62 -13.777 5.725 -0.472 1.00 23.53 C ATOM 941 NZ LYS A 62 -13.957 7.178 -0.197 1.00 75.40 N ATOM 0 H LYS A 62 -11.092 3.664 -5.563 1.00 11.51 H new ATOM 0 HA LYS A 62 -11.054 2.532 -2.920 1.00 2.13 H new ATOM 0 HB2 LYS A 62 -12.128 4.730 -3.986 1.00 74.41 H new ATOM 0 HB3 LYS A 62 -13.495 3.662 -4.229 1.00 74.41 H new ATOM 0 HG2 LYS A 62 -13.855 3.364 -1.933 1.00 55.15 H new ATOM 0 HG3 LYS A 62 -12.200 3.759 -1.511 1.00 55.15 H new ATOM 0 HD2 LYS A 62 -12.616 6.129 -2.233 1.00 42.13 H new ATOM 0 HD3 LYS A 62 -14.287 5.713 -2.558 1.00 42.13 H new ATOM 0 HE2 LYS A 62 -14.692 5.190 -0.216 1.00 23.53 H new ATOM 0 HE3 LYS A 62 -12.987 5.329 0.166 1.00 23.53 H new ATOM 0 HZ1 LYS A 62 -14.193 7.315 0.807 1.00 75.40 H new ATOM 0 HZ2 LYS A 62 -13.076 7.685 -0.418 1.00 75.40 H new ATOM 0 HZ3 LYS A 62 -14.728 7.550 -0.788 1.00 75.40 H new ATOM 955 N LEU A 63 -12.503 0.523 -3.011 1.00 41.44 N ATOM 956 CA LEU A 63 -13.101 -0.808 -3.122 1.00 21.11 C ATOM 957 C LEU A 63 -14.596 -0.745 -3.439 1.00 64.40 C ATOM 958 O LEU A 63 -15.208 -1.766 -3.747 1.00 35.03 O ATOM 959 CB LEU A 63 -12.839 -1.618 -1.843 1.00 22.30 C ATOM 960 CG LEU A 63 -13.023 -0.863 -0.518 1.00 40.32 C ATOM 961 CD1 LEU A 63 -14.496 -0.633 -0.201 1.00 35.31 C ATOM 962 CD2 LEU A 63 -12.339 -1.613 0.614 1.00 10.11 C ATOM 0 H LEU A 63 -12.175 0.759 -2.074 1.00 41.44 H new ATOM 0 HA LEU A 63 -12.624 -1.315 -3.961 1.00 21.11 H new ATOM 0 HB2 LEU A 63 -13.504 -2.482 -1.841 1.00 22.30 H new ATOM 0 HB3 LEU A 63 -11.819 -2.001 -1.882 1.00 22.30 H new ATOM 0 HG LEU A 63 -12.557 0.117 -0.624 1.00 40.32 H new ATOM 0 HD11 LEU A 63 -14.585 -0.096 0.743 1.00 35.31 H new ATOM 0 HD12 LEU A 63 -14.952 -0.045 -0.997 1.00 35.31 H new ATOM 0 HD13 LEU A 63 -15.005 -1.593 -0.122 1.00 35.31 H new ATOM 0 HD21 LEU A 63 -12.477 -1.067 1.547 1.00 10.11 H new ATOM 0 HD22 LEU A 63 -12.775 -2.608 0.707 1.00 10.11 H new ATOM 0 HD23 LEU A 63 -11.274 -1.702 0.400 1.00 10.11 H new ATOM 974 N GLU A 64 -15.163 0.457 -3.333 1.00 42.14 N ATOM 975 CA GLU A 64 -16.539 0.737 -3.750 1.00 43.42 C ATOM 976 C GLU A 64 -17.567 -0.155 -3.059 1.00 11.22 C ATOM 977 O GLU A 64 -17.804 -1.293 -3.472 1.00 1.00 O ATOM 978 CB GLU A 64 -16.676 0.586 -5.268 1.00 23.01 C ATOM 979 CG GLU A 64 -18.072 0.908 -5.785 1.00 25.32 C ATOM 980 CD GLU A 64 -18.312 0.379 -7.182 1.00 42.10 C ATOM 981 OE1 GLU A 64 -17.959 1.072 -8.156 1.00 30.54 O ATOM 982 OE2 GLU A 64 -18.860 -0.736 -7.310 1.00 62.15 O ATOM 0 H GLU A 64 -14.678 1.270 -2.953 1.00 42.14 H new ATOM 0 HA GLU A 64 -16.746 1.765 -3.452 1.00 43.42 H new ATOM 0 HB2 GLU A 64 -15.955 1.241 -5.757 1.00 23.01 H new ATOM 0 HB3 GLU A 64 -16.420 -0.436 -5.549 1.00 23.01 H new ATOM 0 HG2 GLU A 64 -18.813 0.484 -5.108 1.00 25.32 H new ATOM 0 HG3 GLU A 64 -18.217 1.988 -5.780 1.00 25.32 H new ATOM 989 N HIS A 65 -18.196 0.356 -2.019 1.00 24.02 N ATOM 990 CA HIS A 65 -19.318 -0.348 -1.429 1.00 42.44 C ATOM 991 C HIS A 65 -20.599 0.120 -2.110 1.00 51.24 C ATOM 992 O HIS A 65 -21.370 0.900 -1.549 1.00 12.12 O ATOM 993 CB HIS A 65 -19.391 -0.134 0.086 1.00 60.11 C ATOM 994 CG HIS A 65 -20.344 -1.067 0.775 1.00 13.42 C ATOM 995 ND1 HIS A 65 -21.475 -0.642 1.437 1.00 31.31 N ATOM 996 CD2 HIS A 65 -20.324 -2.415 0.902 1.00 51.04 C ATOM 997 CE1 HIS A 65 -22.107 -1.687 1.939 1.00 2.02 C ATOM 998 NE2 HIS A 65 -21.429 -2.775 1.628 1.00 73.03 N ATOM 0 H HIS A 65 -17.955 1.240 -1.571 1.00 24.02 H new ATOM 0 HA HIS A 65 -19.187 -1.419 -1.585 1.00 42.44 H new ATOM 0 HB2 HIS A 65 -18.396 -0.263 0.512 1.00 60.11 H new ATOM 0 HB3 HIS A 65 -19.692 0.894 0.286 1.00 60.11 H new ATOM 0 HD2 HIS A 65 -19.575 -3.084 0.504 1.00 51.04 H new ATOM 0 HE1 HIS A 65 -23.024 -1.656 2.508 1.00 2.02 H new ATOM 0 HE2 HIS A 65 -21.685 -3.728 1.886 1.00 73.03 H new ATOM 1007 N HIS A 66 -20.784 -0.329 -3.347 1.00 64.41 N ATOM 1008 CA HIS A 66 -21.927 0.081 -4.162 1.00 41.33 C ATOM 1009 C HIS A 66 -23.243 -0.259 -3.475 1.00 11.44 C ATOM 1010 O HIS A 66 -23.385 -1.315 -2.855 1.00 32.42 O ATOM 1011 CB HIS A 66 -21.868 -0.542 -5.567 1.00 44.12 C ATOM 1012 CG HIS A 66 -21.690 -2.029 -5.595 1.00 72.33 C ATOM 1013 ND1 HIS A 66 -22.718 -2.907 -5.871 1.00 64.33 N ATOM 1014 CD2 HIS A 66 -20.587 -2.793 -5.412 1.00 41.34 C ATOM 1015 CE1 HIS A 66 -22.253 -4.143 -5.855 1.00 74.30 C ATOM 1016 NE2 HIS A 66 -20.965 -4.099 -5.578 1.00 62.42 N ATOM 0 H HIS A 66 -20.153 -0.982 -3.812 1.00 64.41 H new ATOM 0 HA HIS A 66 -21.874 1.164 -4.275 1.00 41.33 H new ATOM 0 HB2 HIS A 66 -22.787 -0.291 -6.098 1.00 44.12 H new ATOM 0 HB3 HIS A 66 -21.047 -0.083 -6.117 1.00 44.12 H new ATOM 0 HD2 HIS A 66 -19.594 -2.438 -5.179 1.00 41.34 H new ATOM 0 HE1 HIS A 66 -22.830 -5.038 -6.038 1.00 74.30 H new ATOM 0 HE2 HIS A 66 -20.349 -4.908 -5.500 1.00 62.42 H new ATOM 1025 N HIS A 67 -24.205 0.643 -3.603 1.00 52.11 N ATOM 1026 CA HIS A 67 -25.449 0.551 -2.853 1.00 3.43 C ATOM 1027 C HIS A 67 -26.494 -0.245 -3.621 1.00 12.32 C ATOM 1028 O HIS A 67 -27.374 0.329 -4.260 1.00 64.33 O ATOM 1029 CB HIS A 67 -25.987 1.950 -2.525 1.00 1.24 C ATOM 1030 CG HIS A 67 -25.100 2.750 -1.609 1.00 43.34 C ATOM 1031 ND1 HIS A 67 -25.576 3.442 -0.519 1.00 52.33 N ATOM 1032 CD2 HIS A 67 -23.764 2.977 -1.638 1.00 71.10 C ATOM 1033 CE1 HIS A 67 -24.575 4.058 0.082 1.00 14.53 C ATOM 1034 NE2 HIS A 67 -23.463 3.793 -0.577 1.00 3.35 N ATOM 0 H HIS A 67 -24.147 1.451 -4.223 1.00 52.11 H new ATOM 0 HA HIS A 67 -25.238 0.028 -1.920 1.00 3.43 H new ATOM 0 HB2 HIS A 67 -26.124 2.502 -3.455 1.00 1.24 H new ATOM 0 HB3 HIS A 67 -26.971 1.851 -2.066 1.00 1.24 H new ATOM 0 HD2 HIS A 67 -23.065 2.587 -2.363 1.00 71.10 H new ATOM 0 HE1 HIS A 67 -24.653 4.675 0.965 1.00 14.53 H new ATOM 0 HE2 HIS A 67 -22.533 4.138 -0.337 1.00 3.35 H new ATOM 1043 N HIS A 68 -26.366 -1.569 -3.556 1.00 11.53 N ATOM 1044 CA HIS A 68 -27.290 -2.489 -4.219 1.00 72.41 C ATOM 1045 C HIS A 68 -27.326 -2.231 -5.725 1.00 74.32 C ATOM 1046 O HIS A 68 -28.141 -1.452 -6.220 1.00 52.24 O ATOM 1047 CB HIS A 68 -28.695 -2.385 -3.611 1.00 30.25 C ATOM 1048 CG HIS A 68 -29.659 -3.407 -4.133 1.00 21.31 C ATOM 1049 ND1 HIS A 68 -30.740 -3.086 -4.922 1.00 41.14 N ATOM 1050 CD2 HIS A 68 -29.705 -4.748 -3.962 1.00 20.42 C ATOM 1051 CE1 HIS A 68 -31.410 -4.185 -5.216 1.00 32.31 C ATOM 1052 NE2 HIS A 68 -30.802 -5.208 -4.645 1.00 21.02 N ATOM 0 H HIS A 68 -25.618 -2.035 -3.042 1.00 11.53 H new ATOM 0 HA HIS A 68 -26.929 -3.505 -4.059 1.00 72.41 H new ATOM 0 HB2 HIS A 68 -28.621 -2.489 -2.529 1.00 30.25 H new ATOM 0 HB3 HIS A 68 -29.093 -1.390 -3.809 1.00 30.25 H new ATOM 0 HD2 HIS A 68 -29.008 -5.345 -3.393 1.00 20.42 H new ATOM 0 HE1 HIS A 68 -32.303 -4.238 -5.821 1.00 32.31 H new ATOM 0 HE2 HIS A 68 -31.099 -6.182 -4.702 1.00 21.02 H new ATOM 1061 N HIS A 69 -26.427 -2.884 -6.443 1.00 74.31 N ATOM 1062 CA HIS A 69 -26.292 -2.680 -7.879 1.00 52.34 C ATOM 1063 C HIS A 69 -25.659 -3.919 -8.498 1.00 5.41 C ATOM 1064 O HIS A 69 -24.836 -4.576 -7.858 1.00 2.24 O ATOM 1065 CB HIS A 69 -25.418 -1.443 -8.145 1.00 65.10 C ATOM 1066 CG HIS A 69 -25.410 -0.966 -9.574 1.00 55.44 C ATOM 1067 ND1 HIS A 69 -25.970 0.230 -9.968 1.00 42.10 N ATOM 1068 CD2 HIS A 69 -24.886 -1.515 -10.698 1.00 32.10 C ATOM 1069 CE1 HIS A 69 -25.796 0.392 -11.266 1.00 10.44 C ATOM 1070 NE2 HIS A 69 -25.141 -0.652 -11.732 1.00 12.14 N ATOM 0 H HIS A 69 -25.775 -3.565 -6.053 1.00 74.31 H new ATOM 0 HA HIS A 69 -27.272 -2.516 -8.326 1.00 52.34 H new ATOM 0 HB2 HIS A 69 -25.763 -0.629 -7.508 1.00 65.10 H new ATOM 0 HB3 HIS A 69 -24.394 -1.669 -7.847 1.00 65.10 H new ATOM 0 HD2 HIS A 69 -24.364 -2.458 -10.766 1.00 32.10 H new ATOM 0 HE1 HIS A 69 -26.133 1.237 -11.848 1.00 10.44 H new ATOM 0 HE2 HIS A 69 -24.868 -0.795 -12.704 1.00 12.14 H new ATOM 1079 N HIS A 70 -26.048 -4.244 -9.723 1.00 10.31 N ATOM 1080 CA HIS A 70 -25.464 -5.372 -10.430 1.00 31.15 C ATOM 1081 C HIS A 70 -24.929 -4.929 -11.792 1.00 24.22 C ATOM 1082 O HIS A 70 -23.714 -4.676 -11.892 1.00 38.48 O ATOM 1083 CB HIS A 70 -26.471 -6.530 -10.564 1.00 65.50 C ATOM 1084 CG HIS A 70 -27.774 -6.175 -11.222 1.00 1.42 C ATOM 1085 ND1 HIS A 70 -28.819 -5.573 -10.554 1.00 34.21 N ATOM 1086 CD2 HIS A 70 -28.201 -6.355 -12.494 1.00 12.41 C ATOM 1087 CE1 HIS A 70 -29.830 -5.400 -11.384 1.00 73.42 C ATOM 1088 NE2 HIS A 70 -29.482 -5.866 -12.566 1.00 33.54 N ATOM 1089 OXT HIS A 70 -25.721 -4.806 -12.749 1.00 38.48 O ATOM 0 H HIS A 70 -26.765 -3.742 -10.246 1.00 10.31 H new ATOM 0 HA HIS A 70 -24.624 -5.746 -9.845 1.00 31.15 H new ATOM 0 HB2 HIS A 70 -26.002 -7.333 -11.133 1.00 65.50 H new ATOM 0 HB3 HIS A 70 -26.681 -6.924 -9.570 1.00 65.50 H new ATOM 0 HD2 HIS A 70 -27.639 -6.800 -13.302 1.00 12.41 H new ATOM 0 HE1 HIS A 70 -30.781 -4.952 -11.136 1.00 73.42 H new ATOM 0 HE2 HIS A 70 -30.069 -5.864 -13.400 1.00 33.54 H new TER 1098 HIS A 70