USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 64 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.13 K(o=-0.13,f=-3.4!) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= -0.0572 USER MOD Single : A 2 THR OG1 : rot -113:sc= 1.26 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 35:sc= -0.517 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.61 K(o=0.61,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0.183 USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0221 (180deg=-0.189) USER MOD Single : A 24 THR OG1 : rot 153:sc= -0.44! USER MOD Single : A 26 TYR OH : rot 111:sc= 0.46 USER MOD Single : A 27 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.7!) USER MOD Single : A 29 MET CE :methyl -153:sc= -2.24 (180deg=-3.61) USER MOD Single : A 32 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0661 USER MOD Single : A 35 SER OG : rot -79:sc= 0.357 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 1.27 (180deg=1.08) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.08) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 74:sc= 0.515 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.524 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.481 -2.344 -22.626 1.00 51.13 N ATOM 39 CA THR A 2 -6.267 -1.555 -21.448 1.00 75.35 C ATOM 40 C THR A 2 -7.109 -2.121 -20.329 1.00 4.03 C ATOM 41 O THR A 2 -8.323 -2.284 -20.477 1.00 1.12 O ATOM 42 CB THR A 2 -6.670 -0.080 -21.687 1.00 50.53 C ATOM 43 OG1 THR A 2 -5.860 0.493 -22.731 1.00 14.24 O ATOM 44 CG2 THR A 2 -6.523 0.744 -20.410 1.00 24.32 C ATOM 0 HA THR A 2 -5.208 -1.586 -21.191 1.00 75.35 H new ATOM 0 HB THR A 2 -7.717 -0.062 -21.990 1.00 50.53 H new ATOM 0 HG1 THR A 2 -5.281 1.187 -22.352 1.00 14.24 H new ATOM 0 HG21 THR A 2 -6.813 1.776 -20.608 1.00 24.32 H new ATOM 0 HG22 THR A 2 -7.165 0.329 -19.633 1.00 24.32 H new ATOM 0 HG23 THR A 2 -5.486 0.716 -20.076 1.00 24.32 H new ATOM 52 N VAL A 3 -6.482 -2.444 -19.234 1.00 23.54 N ATOM 53 CA VAL A 3 -7.201 -2.995 -18.115 1.00 21.12 C ATOM 54 C VAL A 3 -7.302 -1.928 -17.051 1.00 44.44 C ATOM 55 O VAL A 3 -6.323 -1.227 -16.776 1.00 31.32 O ATOM 56 CB VAL A 3 -6.486 -4.220 -17.502 1.00 11.01 C ATOM 57 CG1 VAL A 3 -7.375 -4.919 -16.521 1.00 4.51 C ATOM 58 CG2 VAL A 3 -6.009 -5.191 -18.540 1.00 35.05 C ATOM 0 H VAL A 3 -5.478 -2.337 -19.090 1.00 23.54 H new ATOM 0 HA VAL A 3 -8.180 -3.319 -18.469 1.00 21.12 H new ATOM 0 HB VAL A 3 -5.606 -3.837 -16.985 1.00 11.01 H new ATOM 0 HG11 VAL A 3 -6.850 -5.778 -16.102 1.00 4.51 H new ATOM 0 HG12 VAL A 3 -7.643 -4.231 -15.719 1.00 4.51 H new ATOM 0 HG13 VAL A 3 -8.280 -5.257 -17.026 1.00 4.51 H new ATOM 0 HG21 VAL A 3 -5.515 -6.031 -18.052 1.00 35.05 H new ATOM 0 HG22 VAL A 3 -6.860 -5.555 -19.116 1.00 35.05 H new ATOM 0 HG23 VAL A 3 -5.305 -4.694 -19.207 1.00 35.05 H new ATOM 68 N TYR A 4 -8.470 -1.774 -16.494 1.00 61.22 N ATOM 69 CA TYR A 4 -8.695 -0.800 -15.464 1.00 22.35 C ATOM 70 C TYR A 4 -8.761 -1.472 -14.092 1.00 42.10 C ATOM 71 O TYR A 4 -9.398 -2.524 -13.928 1.00 63.42 O ATOM 72 CB TYR A 4 -9.960 -0.023 -15.772 1.00 45.32 C ATOM 73 CG TYR A 4 -9.888 0.722 -17.092 1.00 54.53 C ATOM 74 CD1 TYR A 4 -10.239 0.106 -18.287 1.00 55.53 C ATOM 75 CD2 TYR A 4 -9.460 2.032 -17.140 1.00 40.21 C ATOM 76 CE1 TYR A 4 -10.169 0.781 -19.483 1.00 64.11 C ATOM 77 CE2 TYR A 4 -9.387 2.714 -18.330 1.00 24.20 C ATOM 78 CZ TYR A 4 -9.741 2.086 -19.500 1.00 2.33 C ATOM 79 OH TYR A 4 -9.666 2.771 -20.691 1.00 52.53 O ATOM 0 H TYR A 4 -9.294 -2.321 -16.742 1.00 61.22 H new ATOM 0 HA TYR A 4 -7.861 -0.099 -15.437 1.00 22.35 H new ATOM 0 HB2 TYR A 4 -10.806 -0.710 -15.794 1.00 45.32 H new ATOM 0 HB3 TYR A 4 -10.148 0.689 -14.968 1.00 45.32 H new ATOM 0 HD1 TYR A 4 -10.573 -0.921 -18.276 1.00 55.53 H new ATOM 0 HD2 TYR A 4 -9.177 2.531 -16.225 1.00 40.21 H new ATOM 0 HE1 TYR A 4 -10.449 0.288 -20.403 1.00 64.11 H new ATOM 0 HE2 TYR A 4 -9.052 3.741 -18.346 1.00 24.20 H new ATOM 0 HH TYR A 4 -9.346 3.682 -20.525 1.00 52.53 H new ATOM 89 N ILE A 5 -8.084 -0.883 -13.123 1.00 34.25 N ATOM 90 CA ILE A 5 -8.015 -1.437 -11.779 1.00 72.01 C ATOM 91 C ILE A 5 -8.617 -0.448 -10.769 1.00 53.51 C ATOM 92 O ILE A 5 -8.163 0.694 -10.654 1.00 22.41 O ATOM 93 CB ILE A 5 -6.529 -1.699 -11.281 1.00 45.23 C ATOM 94 CG1 ILE A 5 -5.654 -2.619 -12.172 1.00 73.43 C ATOM 95 CG2 ILE A 5 -6.541 -2.292 -9.875 1.00 61.02 C ATOM 96 CD1 ILE A 5 -5.404 -2.183 -13.608 1.00 73.25 C ATOM 0 H ILE A 5 -7.568 -0.011 -13.242 1.00 34.25 H new ATOM 0 HA ILE A 5 -8.559 -2.380 -11.831 1.00 72.01 H new ATOM 0 HB ILE A 5 -6.071 -0.711 -11.322 1.00 45.23 H new ATOM 0 HG12 ILE A 5 -4.686 -2.737 -11.684 1.00 73.43 H new ATOM 0 HG13 ILE A 5 -6.120 -3.604 -12.197 1.00 73.43 H new ATOM 0 HG21 ILE A 5 -5.517 -2.467 -9.545 1.00 61.02 H new ATOM 0 HG22 ILE A 5 -7.029 -1.597 -9.191 1.00 61.02 H new ATOM 0 HG23 ILE A 5 -7.086 -3.236 -9.883 1.00 61.02 H new ATOM 0 HD11 ILE A 5 -4.778 -2.922 -14.109 1.00 73.25 H new ATOM 0 HD12 ILE A 5 -6.355 -2.097 -14.133 1.00 73.25 H new ATOM 0 HD13 ILE A 5 -4.899 -1.217 -13.612 1.00 73.25 H new ATOM 108 N CYS A 6 -9.617 -0.883 -10.066 1.00 14.31 N ATOM 109 CA CYS A 6 -10.151 -0.154 -8.943 1.00 44.14 C ATOM 110 C CYS A 6 -10.150 -1.065 -7.734 1.00 62.51 C ATOM 111 O CYS A 6 -11.087 -1.848 -7.547 1.00 71.33 O ATOM 112 CB CYS A 6 -11.563 0.386 -9.182 1.00 72.44 C ATOM 113 SG CYS A 6 -11.693 1.622 -10.476 1.00 32.43 S ATOM 0 H CYS A 6 -10.095 -1.764 -10.253 1.00 14.31 H new ATOM 0 HA CYS A 6 -9.515 0.717 -8.785 1.00 44.14 H new ATOM 0 HB2 CYS A 6 -12.218 -0.449 -9.431 1.00 72.44 H new ATOM 0 HB3 CYS A 6 -11.934 0.816 -8.251 1.00 72.44 H new ATOM 0 HG CYS A 6 -10.845 1.349 -11.423 1.00 32.43 H new ATOM 119 N PRO A 7 -9.086 -1.011 -6.905 1.00 22.01 N ATOM 120 CA PRO A 7 -8.977 -1.847 -5.692 1.00 11.54 C ATOM 121 C PRO A 7 -10.119 -1.560 -4.716 1.00 3.30 C ATOM 122 O PRO A 7 -10.455 -2.380 -3.854 1.00 63.22 O ATOM 123 CB PRO A 7 -7.636 -1.417 -5.079 1.00 43.42 C ATOM 124 CG PRO A 7 -6.876 -0.805 -6.206 1.00 33.25 C ATOM 125 CD PRO A 7 -7.896 -0.151 -7.084 1.00 20.52 C ATOM 0 HA PRO A 7 -9.031 -2.913 -5.915 1.00 11.54 H new ATOM 0 HB2 PRO A 7 -7.783 -0.703 -4.268 1.00 43.42 H new ATOM 0 HB3 PRO A 7 -7.102 -2.270 -4.660 1.00 43.42 H new ATOM 0 HG2 PRO A 7 -6.153 -0.077 -5.839 1.00 33.25 H new ATOM 0 HG3 PRO A 7 -6.316 -1.562 -6.755 1.00 33.25 H new ATOM 0 HD2 PRO A 7 -8.091 0.877 -6.780 1.00 20.52 H new ATOM 0 HD3 PRO A 7 -7.573 -0.120 -8.125 1.00 20.52 H new ATOM 133 N GLU A 8 -10.706 -0.408 -4.897 1.00 4.20 N ATOM 134 CA GLU A 8 -11.785 0.078 -4.096 1.00 14.43 C ATOM 135 C GLU A 8 -13.149 -0.526 -4.469 1.00 14.12 C ATOM 136 O GLU A 8 -13.755 -1.242 -3.672 1.00 53.44 O ATOM 137 CB GLU A 8 -11.825 1.613 -4.169 1.00 51.42 C ATOM 138 CG GLU A 8 -11.806 2.190 -5.584 1.00 63.22 C ATOM 139 CD GLU A 8 -11.754 3.684 -5.600 1.00 32.10 C ATOM 140 OE1 GLU A 8 -10.650 4.230 -5.586 1.00 71.44 O ATOM 141 OE2 GLU A 8 -12.821 4.329 -5.639 1.00 62.12 O ATOM 0 H GLU A 8 -10.431 0.239 -5.636 1.00 4.20 H new ATOM 0 HA GLU A 8 -11.595 -0.242 -3.072 1.00 14.43 H new ATOM 0 HB2 GLU A 8 -12.724 1.963 -3.661 1.00 51.42 H new ATOM 0 HB3 GLU A 8 -10.973 2.011 -3.618 1.00 51.42 H new ATOM 0 HG2 GLU A 8 -10.943 1.795 -6.121 1.00 63.22 H new ATOM 0 HG3 GLU A 8 -12.695 1.856 -6.120 1.00 63.22 H new ATOM 148 N THR A 9 -13.614 -0.260 -5.670 1.00 22.52 N ATOM 149 CA THR A 9 -14.964 -0.599 -6.035 1.00 14.23 C ATOM 150 C THR A 9 -15.066 -1.687 -7.106 1.00 75.44 C ATOM 151 O THR A 9 -16.171 -2.057 -7.516 1.00 62.42 O ATOM 152 CB THR A 9 -15.690 0.665 -6.511 1.00 64.43 C ATOM 153 OG1 THR A 9 -14.945 1.245 -7.599 1.00 35.32 O ATOM 154 CG2 THR A 9 -15.795 1.683 -5.377 1.00 54.42 C ATOM 0 H THR A 9 -13.073 0.191 -6.408 1.00 22.52 H new ATOM 0 HA THR A 9 -15.434 -1.011 -5.142 1.00 14.23 H new ATOM 0 HB THR A 9 -16.696 0.398 -6.836 1.00 64.43 H new ATOM 0 HG1 THR A 9 -15.401 2.054 -7.913 1.00 35.32 H new ATOM 0 HG21 THR A 9 -16.313 2.573 -5.734 1.00 54.42 H new ATOM 0 HG22 THR A 9 -16.352 1.247 -4.547 1.00 54.42 H new ATOM 0 HG23 THR A 9 -14.795 1.956 -5.039 1.00 54.42 H new ATOM 162 N GLY A 10 -13.946 -2.195 -7.576 1.00 73.32 N ATOM 163 CA GLY A 10 -14.020 -3.253 -8.567 1.00 63.00 C ATOM 164 C GLY A 10 -13.789 -4.593 -7.931 1.00 71.43 C ATOM 165 O GLY A 10 -14.051 -4.765 -6.734 1.00 13.15 O ATOM 0 H GLY A 10 -13.006 -1.908 -7.303 1.00 73.32 H new ATOM 0 HA2 GLY A 10 -14.997 -3.238 -9.050 1.00 63.00 H new ATOM 0 HA3 GLY A 10 -13.277 -3.081 -9.346 1.00 63.00 H new ATOM 169 N ASP A 11 -13.281 -5.534 -8.686 1.00 53.41 N ATOM 170 CA ASP A 11 -13.107 -6.881 -8.183 1.00 73.21 C ATOM 171 C ASP A 11 -12.117 -7.652 -9.030 1.00 34.31 C ATOM 172 O ASP A 11 -12.061 -7.488 -10.244 1.00 40.42 O ATOM 173 CB ASP A 11 -14.449 -7.621 -8.132 1.00 33.13 C ATOM 174 CG ASP A 11 -14.332 -8.967 -7.471 1.00 64.12 C ATOM 175 OD1 ASP A 11 -14.398 -9.020 -6.229 1.00 71.12 O ATOM 176 OD2 ASP A 11 -14.156 -9.973 -8.167 1.00 71.23 O ATOM 0 H ASP A 11 -12.980 -5.397 -9.651 1.00 53.41 H new ATOM 0 HA ASP A 11 -12.711 -6.809 -7.170 1.00 73.21 H new ATOM 0 HB2 ASP A 11 -15.176 -7.015 -7.591 1.00 33.13 H new ATOM 0 HB3 ASP A 11 -14.831 -7.748 -9.145 1.00 33.13 H new ATOM 181 N ASP A 12 -11.327 -8.470 -8.370 1.00 12.14 N ATOM 182 CA ASP A 12 -10.283 -9.316 -8.992 1.00 10.41 C ATOM 183 C ASP A 12 -10.884 -10.315 -10.004 1.00 51.42 C ATOM 184 O ASP A 12 -10.209 -10.768 -10.924 1.00 23.12 O ATOM 185 CB ASP A 12 -9.534 -10.076 -7.877 1.00 3.44 C ATOM 186 CG ASP A 12 -8.342 -10.878 -8.349 1.00 42.31 C ATOM 187 OD1 ASP A 12 -7.255 -10.290 -8.505 1.00 11.13 O ATOM 188 OD2 ASP A 12 -8.464 -12.103 -8.529 1.00 61.53 O ATOM 0 H ASP A 12 -11.379 -8.582 -7.358 1.00 12.14 H new ATOM 0 HA ASP A 12 -9.595 -8.674 -9.542 1.00 10.41 H new ATOM 0 HB2 ASP A 12 -9.198 -9.358 -7.129 1.00 3.44 H new ATOM 0 HB3 ASP A 12 -10.234 -10.749 -7.381 1.00 3.44 H new ATOM 193 N GLY A 13 -12.156 -10.612 -9.851 1.00 0.03 N ATOM 194 CA GLY A 13 -12.806 -11.570 -10.705 1.00 62.51 C ATOM 195 C GLY A 13 -13.519 -10.945 -11.896 1.00 74.20 C ATOM 196 O GLY A 13 -14.259 -11.630 -12.594 1.00 52.10 O ATOM 0 H GLY A 13 -12.759 -10.200 -9.139 1.00 0.03 H new ATOM 0 HA2 GLY A 13 -12.064 -12.281 -11.069 1.00 62.51 H new ATOM 0 HA3 GLY A 13 -13.528 -12.136 -10.117 1.00 62.51 H new ATOM 200 N ASN A 14 -13.309 -9.650 -12.135 1.00 4.54 N ATOM 201 CA ASN A 14 -13.976 -8.961 -13.252 1.00 40.23 C ATOM 202 C ASN A 14 -13.210 -9.073 -14.560 1.00 11.41 C ATOM 203 O ASN A 14 -12.172 -9.722 -14.635 1.00 3.11 O ATOM 204 CB ASN A 14 -14.231 -7.490 -12.946 1.00 22.40 C ATOM 205 CG ASN A 14 -15.214 -7.271 -11.835 1.00 53.00 C ATOM 206 OD1 ASN A 14 -16.092 -8.093 -11.591 1.00 63.34 O ATOM 207 ND2 ASN A 14 -15.092 -6.163 -11.165 1.00 21.24 N ATOM 0 H ASN A 14 -12.691 -9.058 -11.580 1.00 4.54 H new ATOM 0 HA ASN A 14 -14.931 -9.473 -13.372 1.00 40.23 H new ATOM 0 HB2 ASN A 14 -13.287 -7.013 -12.684 1.00 22.40 H new ATOM 0 HB3 ASN A 14 -14.598 -6.998 -13.847 1.00 22.40 H new ATOM 0 HD21 ASN A 14 -15.740 -5.952 -10.406 1.00 21.24 H new ATOM 0 HD22 ASN A 14 -14.348 -5.505 -11.399 1.00 21.24 H new ATOM 214 N ASP A 15 -13.740 -8.429 -15.596 1.00 10.12 N ATOM 215 CA ASP A 15 -13.125 -8.426 -16.935 1.00 4.01 C ATOM 216 C ASP A 15 -12.070 -7.348 -17.055 1.00 14.34 C ATOM 217 O ASP A 15 -11.339 -7.291 -18.040 1.00 2.32 O ATOM 218 CB ASP A 15 -14.173 -8.218 -18.032 1.00 30.43 C ATOM 219 CG ASP A 15 -15.185 -9.324 -18.110 1.00 31.14 C ATOM 220 OD1 ASP A 15 -14.943 -10.321 -18.804 1.00 11.11 O ATOM 221 OD2 ASP A 15 -16.257 -9.212 -17.484 1.00 11.42 O ATOM 0 H ASP A 15 -14.606 -7.893 -15.539 1.00 10.12 H new ATOM 0 HA ASP A 15 -12.658 -9.402 -17.065 1.00 4.01 H new ATOM 0 HB2 ASP A 15 -14.690 -7.275 -17.856 1.00 30.43 H new ATOM 0 HB3 ASP A 15 -13.668 -8.130 -18.994 1.00 30.43 H new ATOM 226 N GLY A 16 -12.006 -6.495 -16.059 1.00 22.42 N ATOM 227 CA GLY A 16 -11.033 -5.431 -16.042 1.00 53.52 C ATOM 228 C GLY A 16 -11.298 -4.301 -17.019 1.00 65.15 C ATOM 229 O GLY A 16 -10.363 -3.747 -17.603 1.00 5.24 O ATOM 0 H GLY A 16 -12.621 -6.519 -15.246 1.00 22.42 H new ATOM 0 HA2 GLY A 16 -10.988 -5.017 -15.035 1.00 53.52 H new ATOM 0 HA3 GLY A 16 -10.052 -5.854 -16.257 1.00 53.52 H new ATOM 233 N SER A 17 -12.536 -3.947 -17.197 1.00 40.32 N ATOM 234 CA SER A 17 -12.877 -2.831 -18.040 1.00 22.52 C ATOM 235 C SER A 17 -13.056 -1.604 -17.161 1.00 61.34 C ATOM 236 O SER A 17 -12.902 -1.699 -15.945 1.00 52.43 O ATOM 237 CB SER A 17 -14.144 -3.140 -18.839 1.00 71.43 C ATOM 238 OG SER A 17 -15.234 -3.461 -17.983 1.00 10.14 O ATOM 0 H SER A 17 -13.334 -4.416 -16.768 1.00 40.32 H new ATOM 0 HA SER A 17 -12.081 -2.640 -18.760 1.00 22.52 H new ATOM 0 HB2 SER A 17 -14.405 -2.280 -19.456 1.00 71.43 H new ATOM 0 HB3 SER A 17 -13.954 -3.973 -19.516 1.00 71.43 H new ATOM 0 HG SER A 17 -16.029 -3.652 -18.523 1.00 10.14 H new ATOM 244 N GLU A 18 -13.361 -0.452 -17.741 1.00 34.12 N ATOM 245 CA GLU A 18 -13.583 0.721 -16.943 1.00 23.33 C ATOM 246 C GLU A 18 -14.881 0.554 -16.147 1.00 74.13 C ATOM 247 O GLU A 18 -15.049 1.118 -15.065 1.00 54.42 O ATOM 248 CB GLU A 18 -13.640 1.987 -17.818 1.00 3.33 C ATOM 249 CG GLU A 18 -13.842 3.244 -17.011 1.00 55.03 C ATOM 250 CD GLU A 18 -13.921 4.504 -17.829 1.00 64.14 C ATOM 251 OE1 GLU A 18 -14.915 4.702 -18.528 1.00 60.31 O ATOM 252 OE2 GLU A 18 -12.983 5.331 -17.757 1.00 23.53 O ATOM 0 H GLU A 18 -13.457 -0.316 -18.747 1.00 34.12 H new ATOM 0 HA GLU A 18 -12.748 0.840 -16.252 1.00 23.33 H new ATOM 0 HB2 GLU A 18 -12.715 2.071 -18.388 1.00 3.33 H new ATOM 0 HB3 GLU A 18 -14.451 1.889 -18.539 1.00 3.33 H new ATOM 0 HG2 GLU A 18 -14.759 3.145 -16.430 1.00 55.03 H new ATOM 0 HG3 GLU A 18 -13.023 3.339 -16.299 1.00 55.03 H new ATOM 259 N LEU A 19 -15.784 -0.247 -16.687 1.00 52.23 N ATOM 260 CA LEU A 19 -17.053 -0.486 -16.062 1.00 3.22 C ATOM 261 C LEU A 19 -16.951 -1.613 -15.042 1.00 74.04 C ATOM 262 O LEU A 19 -17.703 -1.646 -14.071 1.00 24.12 O ATOM 263 CB LEU A 19 -18.121 -0.829 -17.107 1.00 23.45 C ATOM 264 CG LEU A 19 -18.390 0.209 -18.207 1.00 61.23 C ATOM 265 CD1 LEU A 19 -18.644 1.596 -17.637 1.00 13.13 C ATOM 266 CD2 LEU A 19 -17.316 0.222 -19.296 1.00 5.45 C ATOM 0 H LEU A 19 -15.649 -0.743 -17.568 1.00 52.23 H new ATOM 0 HA LEU A 19 -17.346 0.429 -15.548 1.00 3.22 H new ATOM 0 HB2 LEU A 19 -17.834 -1.764 -17.588 1.00 23.45 H new ATOM 0 HB3 LEU A 19 -19.058 -1.015 -16.583 1.00 23.45 H new ATOM 0 HG LEU A 19 -19.310 -0.108 -18.698 1.00 61.23 H new ATOM 0 HD11 LEU A 19 -18.829 2.296 -18.452 1.00 13.13 H new ATOM 0 HD12 LEU A 19 -19.513 1.566 -16.980 1.00 13.13 H new ATOM 0 HD13 LEU A 19 -17.772 1.922 -17.070 1.00 13.13 H new ATOM 0 HD21 LEU A 19 -17.564 0.976 -20.043 1.00 5.45 H new ATOM 0 HD22 LEU A 19 -16.349 0.457 -18.851 1.00 5.45 H new ATOM 0 HD23 LEU A 19 -17.268 -0.758 -19.772 1.00 5.45 H new ATOM 278 N LYS A 20 -16.004 -2.520 -15.256 1.00 23.14 N ATOM 279 CA LYS A 20 -15.771 -3.658 -14.350 1.00 24.43 C ATOM 280 C LYS A 20 -14.302 -3.719 -14.040 1.00 53.11 C ATOM 281 O LYS A 20 -13.592 -4.572 -14.571 1.00 65.25 O ATOM 282 CB LYS A 20 -16.145 -4.979 -15.024 1.00 65.34 C ATOM 283 CG LYS A 20 -17.535 -5.028 -15.654 1.00 33.23 C ATOM 284 CD LYS A 20 -17.721 -6.327 -16.414 1.00 72.32 C ATOM 285 CE LYS A 20 -19.116 -6.477 -17.000 1.00 72.34 C ATOM 286 NZ LYS A 20 -20.166 -6.473 -15.954 1.00 63.10 N ATOM 0 H LYS A 20 -15.374 -2.495 -16.058 1.00 23.14 H new ATOM 0 HA LYS A 20 -16.377 -3.519 -13.455 1.00 24.43 H new ATOM 0 HB2 LYS A 20 -15.407 -5.193 -15.797 1.00 65.34 H new ATOM 0 HB3 LYS A 20 -16.072 -5.777 -14.285 1.00 65.34 H new ATOM 0 HG2 LYS A 20 -18.297 -4.939 -14.879 1.00 33.23 H new ATOM 0 HG3 LYS A 20 -17.666 -4.182 -16.328 1.00 33.23 H new ATOM 0 HD2 LYS A 20 -16.987 -6.379 -17.218 1.00 72.32 H new ATOM 0 HD3 LYS A 20 -17.522 -7.165 -15.746 1.00 72.32 H new ATOM 0 HE2 LYS A 20 -19.302 -5.665 -17.703 1.00 72.34 H new ATOM 0 HE3 LYS A 20 -19.173 -7.407 -17.566 1.00 72.34 H new ATOM 0 HZ1 LYS A 20 -21.066 -6.794 -16.364 1.00 63.10 H new ATOM 0 HZ2 LYS A 20 -19.889 -7.113 -15.182 1.00 63.10 H new ATOM 0 HZ3 LYS A 20 -20.280 -5.509 -15.581 1.00 63.10 H new ATOM 300 N PRO A 21 -13.809 -2.814 -13.229 1.00 62.44 N ATOM 301 CA PRO A 21 -12.408 -2.771 -12.918 1.00 50.21 C ATOM 302 C PRO A 21 -11.992 -3.913 -12.005 1.00 71.42 C ATOM 303 O PRO A 21 -12.809 -4.454 -11.231 1.00 61.14 O ATOM 304 CB PRO A 21 -12.230 -1.427 -12.231 1.00 72.54 C ATOM 305 CG PRO A 21 -13.566 -1.101 -11.663 1.00 21.35 C ATOM 306 CD PRO A 21 -14.572 -1.753 -12.546 1.00 4.00 C ATOM 0 HA PRO A 21 -11.786 -2.881 -13.807 1.00 50.21 H new ATOM 0 HB2 PRO A 21 -11.472 -1.481 -11.449 1.00 72.54 H new ATOM 0 HB3 PRO A 21 -11.905 -0.663 -12.938 1.00 72.54 H new ATOM 0 HG2 PRO A 21 -13.652 -1.467 -10.640 1.00 21.35 H new ATOM 0 HG3 PRO A 21 -13.720 -0.023 -11.629 1.00 21.35 H new ATOM 0 HD2 PRO A 21 -15.402 -2.164 -11.971 1.00 4.00 H new ATOM 0 HD3 PRO A 21 -14.997 -1.045 -13.258 1.00 4.00 H new ATOM 314 N LEU A 22 -10.752 -4.291 -12.105 1.00 4.44 N ATOM 315 CA LEU A 22 -10.198 -5.328 -11.272 1.00 72.12 C ATOM 316 C LEU A 22 -9.817 -4.734 -9.958 1.00 22.10 C ATOM 317 O LEU A 22 -9.840 -3.529 -9.810 1.00 61.01 O ATOM 318 CB LEU A 22 -8.978 -5.934 -11.936 1.00 41.00 C ATOM 319 CG LEU A 22 -9.233 -6.609 -13.266 1.00 11.23 C ATOM 320 CD1 LEU A 22 -7.948 -7.078 -13.868 1.00 54.43 C ATOM 321 CD2 LEU A 22 -10.184 -7.771 -13.096 1.00 4.52 C ATOM 0 H LEU A 22 -10.090 -3.889 -12.769 1.00 4.44 H new ATOM 0 HA LEU A 22 -10.938 -6.114 -11.124 1.00 72.12 H new ATOM 0 HB2 LEU A 22 -8.237 -5.148 -12.082 1.00 41.00 H new ATOM 0 HB3 LEU A 22 -8.539 -6.664 -11.255 1.00 41.00 H new ATOM 0 HG LEU A 22 -9.689 -5.882 -13.938 1.00 11.23 H new ATOM 0 HD11 LEU A 22 -8.149 -7.561 -14.824 1.00 54.43 H new ATOM 0 HD12 LEU A 22 -7.287 -6.226 -14.024 1.00 54.43 H new ATOM 0 HD13 LEU A 22 -7.469 -7.790 -13.195 1.00 54.43 H new ATOM 0 HD21 LEU A 22 -10.356 -8.245 -14.062 1.00 4.52 H new ATOM 0 HD22 LEU A 22 -9.752 -8.497 -12.408 1.00 4.52 H new ATOM 0 HD23 LEU A 22 -11.131 -7.410 -12.695 1.00 4.52 H new ATOM 333 N ARG A 23 -9.465 -5.541 -8.998 1.00 55.41 N ATOM 334 CA ARG A 23 -9.072 -4.979 -7.749 1.00 41.43 C ATOM 335 C ARG A 23 -7.624 -5.264 -7.488 1.00 24.23 C ATOM 336 O ARG A 23 -7.073 -4.920 -6.442 1.00 23.41 O ATOM 337 CB ARG A 23 -10.035 -5.367 -6.595 1.00 35.33 C ATOM 338 CG ARG A 23 -10.115 -6.797 -6.119 1.00 42.33 C ATOM 339 CD ARG A 23 -8.908 -7.260 -5.310 1.00 71.41 C ATOM 340 NE ARG A 23 -9.151 -8.576 -4.699 1.00 31.43 N ATOM 341 CZ ARG A 23 -8.215 -9.470 -4.360 1.00 43.24 C ATOM 342 NH1 ARG A 23 -6.942 -9.273 -4.689 1.00 72.44 N ATOM 343 NH2 ARG A 23 -8.568 -10.573 -3.707 1.00 21.21 N ATOM 0 H ARG A 23 -9.443 -6.559 -9.056 1.00 55.41 H new ATOM 0 HA ARG A 23 -9.163 -3.894 -7.802 1.00 41.43 H new ATOM 0 HB2 ARG A 23 -9.770 -4.754 -5.733 1.00 35.33 H new ATOM 0 HB3 ARG A 23 -11.039 -5.071 -6.899 1.00 35.33 H new ATOM 0 HG2 ARG A 23 -11.012 -6.915 -5.511 1.00 42.33 H new ATOM 0 HG3 ARG A 23 -10.229 -7.449 -6.985 1.00 42.33 H new ATOM 0 HD2 ARG A 23 -8.032 -7.312 -5.956 1.00 71.41 H new ATOM 0 HD3 ARG A 23 -8.687 -6.530 -4.532 1.00 71.41 H new ATOM 0 HE ARG A 23 -10.122 -8.830 -4.517 1.00 31.43 H new ATOM 0 HH11 ARG A 23 -6.672 -8.435 -5.204 1.00 72.44 H new ATOM 0 HH12 ARG A 23 -6.235 -9.960 -4.426 1.00 72.44 H new ATOM 0 HH21 ARG A 23 -9.547 -10.733 -3.468 1.00 21.21 H new ATOM 0 HH22 ARG A 23 -7.860 -11.259 -3.445 1.00 21.21 H new ATOM 357 N THR A 24 -6.996 -5.846 -8.489 1.00 24.11 N ATOM 358 CA THR A 24 -5.623 -6.219 -8.409 1.00 33.42 C ATOM 359 C THR A 24 -4.968 -5.973 -9.787 1.00 55.24 C ATOM 360 O THR A 24 -5.607 -6.184 -10.827 1.00 21.41 O ATOM 361 CB THR A 24 -5.531 -7.727 -8.119 1.00 4.43 C ATOM 362 OG1 THR A 24 -6.536 -8.107 -7.177 1.00 13.04 O ATOM 363 CG2 THR A 24 -4.194 -8.062 -7.524 1.00 42.32 C ATOM 0 H THR A 24 -7.438 -6.069 -9.381 1.00 24.11 H new ATOM 0 HA THR A 24 -5.129 -5.643 -7.627 1.00 33.42 H new ATOM 0 HB THR A 24 -5.669 -8.260 -9.060 1.00 4.43 H new ATOM 0 HG1 THR A 24 -6.775 -9.047 -7.315 1.00 13.04 H new ATOM 0 HG21 THR A 24 -4.143 -9.132 -7.324 1.00 42.32 H new ATOM 0 HG22 THR A 24 -3.405 -7.785 -8.223 1.00 42.32 H new ATOM 0 HG23 THR A 24 -4.062 -7.512 -6.592 1.00 42.32 H new ATOM 371 N LEU A 25 -3.717 -5.551 -9.788 1.00 1.32 N ATOM 372 CA LEU A 25 -2.955 -5.342 -11.018 1.00 54.41 C ATOM 373 C LEU A 25 -2.443 -6.685 -11.557 1.00 33.14 C ATOM 374 O LEU A 25 -2.202 -6.848 -12.754 1.00 73.44 O ATOM 375 CB LEU A 25 -1.810 -4.357 -10.757 1.00 22.44 C ATOM 376 CG LEU A 25 -0.909 -3.998 -11.945 1.00 72.35 C ATOM 377 CD1 LEU A 25 -1.720 -3.419 -13.098 1.00 23.02 C ATOM 378 CD2 LEU A 25 0.140 -3.005 -11.496 1.00 52.32 C ATOM 0 H LEU A 25 -3.194 -5.341 -8.937 1.00 1.32 H new ATOM 0 HA LEU A 25 -3.601 -4.908 -11.781 1.00 54.41 H new ATOM 0 HB2 LEU A 25 -2.241 -3.434 -10.369 1.00 22.44 H new ATOM 0 HB3 LEU A 25 -1.181 -4.771 -9.969 1.00 22.44 H new ATOM 0 HG LEU A 25 -0.426 -4.908 -12.302 1.00 72.35 H new ATOM 0 HD11 LEU A 25 -1.053 -3.174 -13.925 1.00 23.02 H new ATOM 0 HD12 LEU A 25 -2.456 -4.152 -13.429 1.00 23.02 H new ATOM 0 HD13 LEU A 25 -2.232 -2.516 -12.765 1.00 23.02 H new ATOM 0 HD21 LEU A 25 0.782 -2.748 -12.339 1.00 52.32 H new ATOM 0 HD22 LEU A 25 -0.348 -2.104 -11.123 1.00 52.32 H new ATOM 0 HD23 LEU A 25 0.743 -3.446 -10.702 1.00 52.32 H new ATOM 390 N TYR A 26 -2.318 -7.642 -10.652 1.00 33.24 N ATOM 391 CA TYR A 26 -1.919 -9.010 -10.963 1.00 5.24 C ATOM 392 C TYR A 26 -2.880 -9.635 -12.003 1.00 41.54 C ATOM 393 O TYR A 26 -2.442 -10.215 -12.988 1.00 35.41 O ATOM 394 CB TYR A 26 -1.971 -9.809 -9.646 1.00 52.43 C ATOM 395 CG TYR A 26 -1.563 -11.264 -9.708 1.00 24.22 C ATOM 396 CD1 TYR A 26 -0.251 -11.635 -9.514 1.00 40.33 C ATOM 397 CD2 TYR A 26 -2.498 -12.272 -9.929 1.00 33.21 C ATOM 398 CE1 TYR A 26 0.117 -12.952 -9.543 1.00 34.33 C ATOM 399 CE2 TYR A 26 -2.122 -13.599 -9.958 1.00 63.13 C ATOM 400 CZ TYR A 26 -0.811 -13.926 -9.764 1.00 2.11 C ATOM 401 OH TYR A 26 -0.420 -15.241 -9.783 1.00 43.22 O ATOM 0 H TYR A 26 -2.494 -7.489 -9.659 1.00 33.24 H new ATOM 0 HA TYR A 26 -0.916 -9.027 -11.390 1.00 5.24 H new ATOM 0 HB2 TYR A 26 -1.330 -9.308 -8.921 1.00 52.43 H new ATOM 0 HB3 TYR A 26 -2.989 -9.759 -9.260 1.00 52.43 H new ATOM 0 HD1 TYR A 26 0.497 -10.876 -9.337 1.00 40.33 H new ATOM 0 HD2 TYR A 26 -3.535 -12.011 -10.080 1.00 33.21 H new ATOM 0 HE1 TYR A 26 1.151 -13.223 -9.390 1.00 34.33 H new ATOM 0 HE2 TYR A 26 -2.857 -14.371 -10.132 1.00 63.13 H new ATOM 0 HH TYR A 26 -0.788 -15.703 -9.001 1.00 43.22 H new ATOM 411 N GLN A 27 -4.189 -9.470 -11.790 1.00 43.24 N ATOM 412 CA GLN A 27 -5.194 -10.031 -12.706 1.00 11.33 C ATOM 413 C GLN A 27 -5.169 -9.311 -14.069 1.00 62.30 C ATOM 414 O GLN A 27 -5.456 -9.914 -15.103 1.00 63.42 O ATOM 415 CB GLN A 27 -6.601 -10.005 -12.065 1.00 42.21 C ATOM 416 CG GLN A 27 -7.738 -10.548 -12.954 1.00 75.03 C ATOM 417 CD GLN A 27 -7.552 -12.008 -13.368 1.00 10.03 C ATOM 418 OE1 GLN A 27 -6.951 -12.808 -12.649 1.00 41.30 O ATOM 419 NE2 GLN A 27 -8.072 -12.356 -14.521 1.00 22.31 N ATOM 0 H GLN A 27 -4.578 -8.957 -10.999 1.00 43.24 H new ATOM 0 HA GLN A 27 -4.940 -11.075 -12.891 1.00 11.33 H new ATOM 0 HB2 GLN A 27 -6.573 -10.586 -11.143 1.00 42.21 H new ATOM 0 HB3 GLN A 27 -6.837 -8.978 -11.788 1.00 42.21 H new ATOM 0 HG2 GLN A 27 -8.683 -10.449 -12.420 1.00 75.03 H new ATOM 0 HG3 GLN A 27 -7.812 -9.932 -13.850 1.00 75.03 H new ATOM 0 HE21 GLN A 27 -8.563 -11.665 -15.089 1.00 22.31 H new ATOM 0 HE22 GLN A 27 -7.986 -13.318 -14.850 1.00 22.31 H new ATOM 428 N ALA A 28 -4.793 -8.027 -14.059 1.00 74.34 N ATOM 429 CA ALA A 28 -4.677 -7.242 -15.275 1.00 64.04 C ATOM 430 C ALA A 28 -3.618 -7.853 -16.172 1.00 64.14 C ATOM 431 O ALA A 28 -3.785 -7.944 -17.400 1.00 51.21 O ATOM 432 CB ALA A 28 -4.333 -5.796 -14.932 1.00 11.50 C ATOM 0 H ALA A 28 -4.564 -7.513 -13.208 1.00 74.34 H new ATOM 0 HA ALA A 28 -5.629 -7.247 -15.806 1.00 64.04 H new ATOM 0 HB1 ALA A 28 -4.248 -5.215 -15.850 1.00 11.50 H new ATOM 0 HB2 ALA A 28 -5.119 -5.373 -14.306 1.00 11.50 H new ATOM 0 HB3 ALA A 28 -3.386 -5.765 -14.394 1.00 11.50 H new ATOM 438 N MET A 29 -2.539 -8.295 -15.551 1.00 24.05 N ATOM 439 CA MET A 29 -1.488 -8.968 -16.241 1.00 30.23 C ATOM 440 C MET A 29 -1.905 -10.353 -16.704 1.00 72.44 C ATOM 441 O MET A 29 -1.453 -10.802 -17.718 1.00 15.12 O ATOM 442 CB MET A 29 -0.216 -9.029 -15.417 1.00 43.55 C ATOM 443 CG MET A 29 0.584 -7.736 -15.374 1.00 1.25 C ATOM 444 SD MET A 29 2.072 -7.917 -14.430 1.00 24.43 S ATOM 445 CE MET A 29 2.886 -6.421 -14.893 1.00 13.52 C ATOM 0 H MET A 29 -2.380 -8.190 -14.549 1.00 24.05 H new ATOM 0 HA MET A 29 -1.275 -8.376 -17.131 1.00 30.23 H new ATOM 0 HB2 MET A 29 -0.475 -9.313 -14.397 1.00 43.55 H new ATOM 0 HB3 MET A 29 0.420 -9.819 -15.816 1.00 43.55 H new ATOM 0 HG2 MET A 29 0.833 -7.428 -16.390 1.00 1.25 H new ATOM 0 HG3 MET A 29 -0.027 -6.944 -14.941 1.00 1.25 H new ATOM 0 HE1 MET A 29 3.965 -6.554 -14.814 1.00 13.52 H new ATOM 0 HE2 MET A 29 2.626 -6.168 -15.921 1.00 13.52 H new ATOM 0 HE3 MET A 29 2.570 -5.615 -14.230 1.00 13.52 H new ATOM 455 N ILE A 30 -2.769 -11.014 -15.954 1.00 64.25 N ATOM 456 CA ILE A 30 -3.250 -12.348 -16.337 1.00 3.01 C ATOM 457 C ILE A 30 -4.101 -12.294 -17.608 1.00 72.21 C ATOM 458 O ILE A 30 -3.843 -13.021 -18.559 1.00 1.02 O ATOM 459 CB ILE A 30 -4.079 -13.032 -15.207 1.00 41.34 C ATOM 460 CG1 ILE A 30 -3.229 -13.226 -13.952 1.00 30.44 C ATOM 461 CG2 ILE A 30 -4.642 -14.373 -15.681 1.00 32.01 C ATOM 462 CD1 ILE A 30 -3.957 -13.917 -12.823 1.00 44.32 C ATOM 0 H ILE A 30 -3.156 -10.659 -15.079 1.00 64.25 H new ATOM 0 HA ILE A 30 -2.355 -12.943 -16.519 1.00 3.01 H new ATOM 0 HB ILE A 30 -4.914 -12.377 -14.960 1.00 41.34 H new ATOM 0 HG12 ILE A 30 -2.344 -13.807 -14.210 1.00 30.44 H new ATOM 0 HG13 ILE A 30 -2.882 -12.253 -13.606 1.00 30.44 H new ATOM 0 HG21 ILE A 30 -5.216 -14.831 -14.876 1.00 32.01 H new ATOM 0 HG22 ILE A 30 -5.290 -14.212 -16.543 1.00 32.01 H new ATOM 0 HG23 ILE A 30 -3.821 -15.033 -15.963 1.00 32.01 H new ATOM 0 HD11 ILE A 30 -3.289 -14.019 -11.968 1.00 44.32 H new ATOM 0 HD12 ILE A 30 -4.827 -13.327 -12.536 1.00 44.32 H new ATOM 0 HD13 ILE A 30 -4.281 -14.905 -13.150 1.00 44.32 H new ATOM 474 N ILE A 31 -5.100 -11.423 -17.614 1.00 73.43 N ATOM 475 CA ILE A 31 -6.040 -11.330 -18.719 1.00 65.44 C ATOM 476 C ILE A 31 -5.345 -10.984 -20.049 1.00 14.14 C ATOM 477 O ILE A 31 -5.694 -11.524 -21.119 1.00 2.12 O ATOM 478 CB ILE A 31 -7.132 -10.274 -18.427 1.00 41.12 C ATOM 479 CG1 ILE A 31 -7.844 -10.610 -17.124 1.00 70.43 C ATOM 480 CG2 ILE A 31 -8.137 -10.238 -19.553 1.00 35.13 C ATOM 481 CD1 ILE A 31 -8.938 -9.642 -16.751 1.00 33.20 C ATOM 0 H ILE A 31 -5.280 -10.764 -16.856 1.00 73.43 H new ATOM 0 HA ILE A 31 -6.498 -12.314 -18.819 1.00 65.44 H new ATOM 0 HB ILE A 31 -6.657 -9.297 -18.340 1.00 41.12 H new ATOM 0 HG12 ILE A 31 -8.270 -11.610 -17.203 1.00 70.43 H new ATOM 0 HG13 ILE A 31 -7.110 -10.639 -16.319 1.00 70.43 H new ATOM 0 HG21 ILE A 31 -8.900 -9.491 -19.336 1.00 35.13 H new ATOM 0 HG22 ILE A 31 -7.632 -9.980 -20.484 1.00 35.13 H new ATOM 0 HG23 ILE A 31 -8.606 -11.217 -19.654 1.00 35.13 H new ATOM 0 HD11 ILE A 31 -9.394 -9.953 -15.811 1.00 33.20 H new ATOM 0 HD12 ILE A 31 -8.517 -8.643 -16.637 1.00 33.20 H new ATOM 0 HD13 ILE A 31 -9.695 -9.629 -17.535 1.00 33.20 H new ATOM 493 N THR A 32 -4.371 -10.119 -19.980 1.00 42.05 N ATOM 494 CA THR A 32 -3.716 -9.636 -21.166 1.00 74.43 C ATOM 495 C THR A 32 -2.405 -10.380 -21.446 1.00 42.15 C ATOM 496 O THR A 32 -2.093 -10.701 -22.596 1.00 50.23 O ATOM 497 CB THR A 32 -3.422 -8.125 -21.028 1.00 12.20 C ATOM 498 OG1 THR A 32 -2.569 -7.908 -19.879 1.00 43.41 O ATOM 499 CG2 THR A 32 -4.716 -7.339 -20.840 1.00 43.21 C ATOM 0 H THR A 32 -4.011 -9.731 -19.108 1.00 42.05 H new ATOM 0 HA THR A 32 -4.391 -9.815 -22.003 1.00 74.43 H new ATOM 0 HB THR A 32 -2.929 -7.782 -21.937 1.00 12.20 H new ATOM 0 HG1 THR A 32 -3.107 -7.941 -19.061 1.00 43.41 H new ATOM 0 HG21 THR A 32 -4.486 -6.278 -20.745 1.00 43.21 H new ATOM 0 HG22 THR A 32 -5.365 -7.494 -21.702 1.00 43.21 H new ATOM 0 HG23 THR A 32 -5.223 -7.683 -19.938 1.00 43.21 H new ATOM 507 N LYS A 33 -1.653 -10.647 -20.375 1.00 32.53 N ATOM 508 CA LYS A 33 -0.318 -11.203 -20.404 1.00 54.53 C ATOM 509 C LYS A 33 0.616 -10.270 -21.208 1.00 12.34 C ATOM 510 O LYS A 33 1.658 -10.668 -21.727 1.00 44.14 O ATOM 511 CB LYS A 33 -0.304 -12.655 -20.922 1.00 11.52 C ATOM 512 CG LYS A 33 1.040 -13.317 -20.688 1.00 50.23 C ATOM 513 CD LYS A 33 1.118 -14.750 -21.180 1.00 71.42 C ATOM 514 CE LYS A 33 0.175 -15.669 -20.426 1.00 12.22 C ATOM 515 NZ LYS A 33 0.362 -17.083 -20.819 1.00 33.44 N ATOM 0 H LYS A 33 -1.983 -10.470 -19.426 1.00 32.53 H new ATOM 0 HA LYS A 33 0.060 -11.259 -19.383 1.00 54.53 H new ATOM 0 HB2 LYS A 33 -1.085 -13.228 -20.422 1.00 11.52 H new ATOM 0 HB3 LYS A 33 -0.535 -12.664 -21.987 1.00 11.52 H new ATOM 0 HG2 LYS A 33 1.813 -12.731 -21.185 1.00 50.23 H new ATOM 0 HG3 LYS A 33 1.262 -13.298 -19.621 1.00 50.23 H new ATOM 0 HD2 LYS A 33 0.879 -14.780 -22.243 1.00 71.42 H new ATOM 0 HD3 LYS A 33 2.140 -15.114 -21.072 1.00 71.42 H new ATOM 0 HE2 LYS A 33 0.343 -15.563 -19.354 1.00 12.22 H new ATOM 0 HE3 LYS A 33 -0.856 -15.371 -20.618 1.00 12.22 H new ATOM 0 HZ1 LYS A 33 -0.299 -17.682 -20.284 1.00 33.44 H new ATOM 0 HZ2 LYS A 33 0.178 -17.188 -21.837 1.00 33.44 H new ATOM 0 HZ3 LYS A 33 1.339 -17.374 -20.612 1.00 33.44 H new ATOM 529 N SER A 34 0.249 -8.998 -21.266 1.00 4.12 N ATOM 530 CA SER A 34 1.037 -8.051 -22.003 1.00 4.41 C ATOM 531 C SER A 34 2.147 -7.456 -21.122 1.00 43.11 C ATOM 532 O SER A 34 3.159 -6.986 -21.645 1.00 35.24 O ATOM 533 CB SER A 34 0.128 -6.958 -22.559 1.00 33.10 C ATOM 534 OG SER A 34 -0.906 -7.535 -23.358 1.00 23.21 O ATOM 0 H SER A 34 -0.580 -8.612 -20.814 1.00 4.12 H new ATOM 0 HA SER A 34 1.523 -8.561 -22.834 1.00 4.41 H new ATOM 0 HB2 SER A 34 -0.311 -6.388 -21.740 1.00 33.10 H new ATOM 0 HB3 SER A 34 0.712 -6.258 -23.157 1.00 33.10 H new ATOM 0 HG SER A 34 -1.484 -6.825 -23.708 1.00 23.21 H new ATOM 540 N SER A 35 1.958 -7.548 -19.781 1.00 71.52 N ATOM 541 CA SER A 35 2.932 -7.104 -18.733 1.00 70.13 C ATOM 542 C SER A 35 3.295 -5.586 -18.782 1.00 55.54 C ATOM 543 O SER A 35 3.135 -4.859 -17.807 1.00 2.41 O ATOM 544 CB SER A 35 4.187 -7.969 -18.799 1.00 55.43 C ATOM 545 OG SER A 35 3.839 -9.338 -18.693 1.00 12.12 O ATOM 0 H SER A 35 1.106 -7.941 -19.382 1.00 71.52 H new ATOM 0 HA SER A 35 2.431 -7.239 -17.774 1.00 70.13 H new ATOM 0 HB2 SER A 35 4.712 -7.791 -19.737 1.00 55.43 H new ATOM 0 HB3 SER A 35 4.870 -7.696 -17.994 1.00 55.43 H new ATOM 0 HG SER A 35 3.670 -9.561 -17.754 1.00 12.12 H new ATOM 551 N LYS A 36 3.764 -5.147 -19.912 1.00 21.21 N ATOM 552 CA LYS A 36 4.194 -3.782 -20.151 1.00 13.22 C ATOM 553 C LYS A 36 3.122 -3.034 -20.924 1.00 75.22 C ATOM 554 O LYS A 36 3.349 -1.928 -21.425 1.00 21.12 O ATOM 555 CB LYS A 36 5.514 -3.800 -20.934 1.00 34.53 C ATOM 556 CG LYS A 36 5.433 -4.523 -22.275 1.00 31.45 C ATOM 557 CD LYS A 36 6.781 -4.588 -22.984 1.00 20.30 C ATOM 558 CE LYS A 36 7.819 -5.355 -22.167 1.00 75.43 C ATOM 559 NZ LYS A 36 9.089 -5.532 -22.902 1.00 12.14 N ATOM 0 H LYS A 36 3.866 -5.746 -20.731 1.00 21.21 H new ATOM 0 HA LYS A 36 4.352 -3.271 -19.201 1.00 13.22 H new ATOM 0 HB2 LYS A 36 5.836 -2.773 -21.106 1.00 34.53 H new ATOM 0 HB3 LYS A 36 6.280 -4.276 -20.322 1.00 34.53 H new ATOM 0 HG2 LYS A 36 5.060 -5.535 -22.117 1.00 31.45 H new ATOM 0 HG3 LYS A 36 4.713 -4.014 -22.916 1.00 31.45 H new ATOM 0 HD2 LYS A 36 6.657 -5.067 -23.955 1.00 20.30 H new ATOM 0 HD3 LYS A 36 7.142 -3.577 -23.171 1.00 20.30 H new ATOM 0 HE2 LYS A 36 8.012 -4.822 -21.236 1.00 75.43 H new ATOM 0 HE3 LYS A 36 7.418 -6.332 -21.898 1.00 75.43 H new ATOM 0 HZ1 LYS A 36 9.763 -6.057 -22.309 1.00 12.14 H new ATOM 0 HZ2 LYS A 36 8.912 -6.063 -23.778 1.00 12.14 H new ATOM 0 HZ3 LYS A 36 9.487 -4.600 -23.136 1.00 12.14 H new ATOM 573 N GLY A 37 1.953 -3.641 -20.988 1.00 30.11 N ATOM 574 CA GLY A 37 0.834 -3.058 -21.683 1.00 0.35 C ATOM 575 C GLY A 37 0.248 -1.888 -20.927 1.00 2.44 C ATOM 576 O GLY A 37 0.813 -1.431 -19.912 1.00 62.35 O ATOM 0 H GLY A 37 1.758 -4.546 -20.561 1.00 30.11 H new ATOM 0 HA2 GLY A 37 1.153 -2.728 -22.672 1.00 0.35 H new ATOM 0 HA3 GLY A 37 0.065 -3.816 -21.832 1.00 0.35 H new ATOM 580 N ASP A 38 -0.866 -1.413 -21.384 1.00 22.14 N ATOM 581 CA ASP A 38 -1.487 -0.267 -20.777 1.00 1.01 C ATOM 582 C ASP A 38 -2.457 -0.698 -19.707 1.00 12.15 C ATOM 583 O ASP A 38 -3.493 -1.319 -19.981 1.00 33.41 O ATOM 584 CB ASP A 38 -2.194 0.561 -21.836 1.00 13.20 C ATOM 585 CG ASP A 38 -2.808 1.821 -21.300 1.00 31.13 C ATOM 586 OD1 ASP A 38 -2.092 2.619 -20.661 1.00 12.25 O ATOM 587 OD2 ASP A 38 -4.015 2.046 -21.547 1.00 62.30 O ATOM 0 H ASP A 38 -1.372 -1.800 -22.181 1.00 22.14 H new ATOM 0 HA ASP A 38 -0.716 0.346 -20.311 1.00 1.01 H new ATOM 0 HB2 ASP A 38 -1.482 0.818 -22.620 1.00 13.20 H new ATOM 0 HB3 ASP A 38 -2.973 -0.045 -22.299 1.00 13.20 H new ATOM 592 N PHE A 39 -2.109 -0.391 -18.495 1.00 44.14 N ATOM 593 CA PHE A 39 -2.908 -0.725 -17.356 1.00 4.45 C ATOM 594 C PHE A 39 -3.183 0.544 -16.590 1.00 24.14 C ATOM 595 O PHE A 39 -2.242 1.258 -16.215 1.00 45.11 O ATOM 596 CB PHE A 39 -2.172 -1.748 -16.475 1.00 34.02 C ATOM 597 CG PHE A 39 -1.768 -3.007 -17.212 1.00 51.23 C ATOM 598 CD1 PHE A 39 -2.708 -3.941 -17.572 1.00 45.20 C ATOM 599 CD2 PHE A 39 -0.447 -3.245 -17.537 1.00 41.13 C ATOM 600 CE1 PHE A 39 -2.347 -5.089 -18.245 1.00 23.44 C ATOM 601 CE2 PHE A 39 -0.078 -4.392 -18.209 1.00 4.52 C ATOM 602 CZ PHE A 39 -1.027 -5.313 -18.563 1.00 24.34 C ATOM 0 H PHE A 39 -1.248 0.106 -18.266 1.00 44.14 H new ATOM 0 HA PHE A 39 -3.849 -1.176 -17.670 1.00 4.45 H new ATOM 0 HB2 PHE A 39 -1.280 -1.280 -16.058 1.00 34.02 H new ATOM 0 HB3 PHE A 39 -2.812 -2.019 -15.636 1.00 34.02 H new ATOM 0 HD1 PHE A 39 -3.746 -3.774 -17.324 1.00 45.20 H new ATOM 0 HD2 PHE A 39 0.308 -2.523 -17.261 1.00 41.13 H new ATOM 0 HE1 PHE A 39 -3.100 -5.812 -18.522 1.00 23.44 H new ATOM 0 HE2 PHE A 39 0.959 -4.563 -18.456 1.00 4.52 H new ATOM 0 HZ PHE A 39 -0.741 -6.211 -19.090 1.00 24.34 H new ATOM 612 N LEU A 40 -4.429 0.843 -16.355 1.00 53.25 N ATOM 613 CA LEU A 40 -4.763 2.079 -15.686 1.00 51.22 C ATOM 614 C LEU A 40 -5.444 1.796 -14.368 1.00 11.13 C ATOM 615 O LEU A 40 -6.435 1.066 -14.312 1.00 25.43 O ATOM 616 CB LEU A 40 -5.648 2.982 -16.554 1.00 2.10 C ATOM 617 CG LEU A 40 -5.122 3.347 -17.955 1.00 34.51 C ATOM 618 CD1 LEU A 40 -6.103 4.251 -18.666 1.00 24.41 C ATOM 619 CD2 LEU A 40 -3.759 4.005 -17.885 1.00 64.53 C ATOM 0 H LEU A 40 -5.225 0.259 -16.611 1.00 53.25 H new ATOM 0 HA LEU A 40 -3.830 2.611 -15.503 1.00 51.22 H new ATOM 0 HB2 LEU A 40 -6.615 2.493 -16.673 1.00 2.10 H new ATOM 0 HB3 LEU A 40 -5.824 3.908 -16.007 1.00 2.10 H new ATOM 0 HG LEU A 40 -5.016 2.421 -18.520 1.00 34.51 H new ATOM 0 HD11 LEU A 40 -5.717 4.500 -19.655 1.00 24.41 H new ATOM 0 HD12 LEU A 40 -7.060 3.740 -18.768 1.00 24.41 H new ATOM 0 HD13 LEU A 40 -6.239 5.165 -18.089 1.00 24.41 H new ATOM 0 HD21 LEU A 40 -3.420 4.248 -18.892 1.00 64.53 H new ATOM 0 HD22 LEU A 40 -3.826 4.919 -17.294 1.00 64.53 H new ATOM 0 HD23 LEU A 40 -3.049 3.322 -17.418 1.00 64.53 H new ATOM 631 N ILE A 41 -4.922 2.363 -13.318 1.00 71.15 N ATOM 632 CA ILE A 41 -5.458 2.151 -12.002 1.00 31.35 C ATOM 633 C ILE A 41 -6.041 3.445 -11.491 1.00 42.01 C ATOM 634 O ILE A 41 -5.428 4.509 -11.639 1.00 24.11 O ATOM 635 CB ILE A 41 -4.369 1.629 -11.029 1.00 51.22 C ATOM 636 CG1 ILE A 41 -3.737 0.360 -11.627 1.00 31.33 C ATOM 637 CG2 ILE A 41 -4.969 1.359 -9.646 1.00 21.53 C ATOM 638 CD1 ILE A 41 -2.788 -0.390 -10.734 1.00 12.14 C ATOM 0 H ILE A 41 -4.114 2.985 -13.349 1.00 71.15 H new ATOM 0 HA ILE A 41 -6.239 1.393 -12.059 1.00 31.35 H new ATOM 0 HB ILE A 41 -3.593 2.384 -10.901 1.00 51.22 H new ATOM 0 HG12 ILE A 41 -4.539 -0.317 -11.921 1.00 31.33 H new ATOM 0 HG13 ILE A 41 -3.205 0.638 -12.537 1.00 31.33 H new ATOM 0 HG21 ILE A 41 -4.190 0.993 -8.977 1.00 21.53 H new ATOM 0 HG22 ILE A 41 -5.388 2.282 -9.245 1.00 21.53 H new ATOM 0 HG23 ILE A 41 -5.756 0.610 -9.731 1.00 21.53 H new ATOM 0 HD11 ILE A 41 -2.406 -1.264 -11.261 1.00 12.14 H new ATOM 0 HD12 ILE A 41 -1.957 0.260 -10.459 1.00 12.14 H new ATOM 0 HD13 ILE A 41 -3.312 -0.710 -9.833 1.00 12.14 H new ATOM 650 N ARG A 42 -7.232 3.379 -10.930 1.00 61.44 N ATOM 651 CA ARG A 42 -7.877 4.530 -10.465 1.00 52.44 C ATOM 652 C ARG A 42 -7.308 4.981 -9.145 1.00 73.25 C ATOM 653 O ARG A 42 -7.234 4.216 -8.183 1.00 61.35 O ATOM 654 CB ARG A 42 -9.341 4.281 -10.350 1.00 13.24 C ATOM 655 CG ARG A 42 -10.106 5.543 -10.279 1.00 2.11 C ATOM 656 CD ARG A 42 -11.552 5.294 -10.439 1.00 40.50 C ATOM 657 NE ARG A 42 -12.218 4.793 -9.228 1.00 12.32 N ATOM 658 CZ ARG A 42 -13.546 4.588 -9.138 1.00 70.25 C ATOM 659 NH1 ARG A 42 -14.323 4.741 -10.213 1.00 53.35 N ATOM 660 NH2 ARG A 42 -14.087 4.243 -7.985 1.00 22.14 N ATOM 0 H ARG A 42 -7.756 2.514 -10.797 1.00 61.44 H new ATOM 0 HA ARG A 42 -7.710 5.331 -11.185 1.00 52.44 H new ATOM 0 HB2 ARG A 42 -9.679 3.698 -11.207 1.00 13.24 H new ATOM 0 HB3 ARG A 42 -9.540 3.684 -9.460 1.00 13.24 H new ATOM 0 HG2 ARG A 42 -9.921 6.031 -9.322 1.00 2.11 H new ATOM 0 HG3 ARG A 42 -9.762 6.225 -11.057 1.00 2.11 H new ATOM 0 HD2 ARG A 42 -12.036 6.220 -10.749 1.00 40.50 H new ATOM 0 HD3 ARG A 42 -11.698 4.574 -11.244 1.00 40.50 H new ATOM 0 HE ARG A 42 -11.643 4.589 -8.411 1.00 12.32 H new ATOM 0 HH11 ARG A 42 -13.911 5.014 -11.105 1.00 53.35 H new ATOM 0 HH12 ARG A 42 -15.328 4.585 -10.142 1.00 53.35 H new ATOM 0 HH21 ARG A 42 -13.499 4.131 -7.159 1.00 22.14 H new ATOM 0 HH22 ARG A 42 -15.093 4.088 -7.920 1.00 22.14 H new ATOM 674 N THR A 43 -6.924 6.202 -9.119 1.00 12.14 N ATOM 675 CA THR A 43 -6.356 6.828 -7.979 1.00 21.11 C ATOM 676 C THR A 43 -7.203 8.039 -7.667 1.00 24.25 C ATOM 677 O THR A 43 -7.878 8.559 -8.558 1.00 20.23 O ATOM 678 CB THR A 43 -4.883 7.265 -8.265 1.00 35.44 C ATOM 679 OG1 THR A 43 -4.254 7.772 -7.077 1.00 22.23 O ATOM 680 CG2 THR A 43 -4.808 8.337 -9.350 1.00 41.11 C ATOM 0 H THR A 43 -6.999 6.822 -9.925 1.00 12.14 H new ATOM 0 HA THR A 43 -6.336 6.136 -7.137 1.00 21.11 H new ATOM 0 HB THR A 43 -4.359 6.373 -8.609 1.00 35.44 H new ATOM 0 HG1 THR A 43 -3.333 8.037 -7.282 1.00 22.23 H new ATOM 0 HG21 THR A 43 -3.767 8.612 -9.518 1.00 41.11 H new ATOM 0 HG22 THR A 43 -5.235 7.949 -10.275 1.00 41.11 H new ATOM 0 HG23 THR A 43 -5.369 9.216 -9.033 1.00 41.11 H new ATOM 688 N LYS A 44 -7.215 8.476 -6.446 1.00 34.11 N ATOM 689 CA LYS A 44 -7.934 9.674 -6.146 1.00 3.22 C ATOM 690 C LYS A 44 -6.942 10.751 -5.930 1.00 3.25 C ATOM 691 O LYS A 44 -6.187 10.755 -4.962 1.00 3.01 O ATOM 692 CB LYS A 44 -8.905 9.565 -4.950 1.00 23.41 C ATOM 693 CG LYS A 44 -10.120 8.672 -5.167 1.00 62.44 C ATOM 694 CD LYS A 44 -9.761 7.211 -5.146 1.00 64.14 C ATOM 695 CE LYS A 44 -9.390 6.744 -3.745 1.00 11.20 C ATOM 696 NZ LYS A 44 -9.041 5.317 -3.723 1.00 13.32 N ATOM 0 H LYS A 44 -6.746 8.032 -5.656 1.00 34.11 H new ATOM 0 HA LYS A 44 -8.584 9.890 -6.994 1.00 3.22 H new ATOM 0 HB2 LYS A 44 -8.351 9.191 -4.089 1.00 23.41 H new ATOM 0 HB3 LYS A 44 -9.253 10.566 -4.695 1.00 23.41 H new ATOM 0 HG2 LYS A 44 -10.860 8.874 -4.393 1.00 62.44 H new ATOM 0 HG3 LYS A 44 -10.583 8.917 -6.123 1.00 62.44 H new ATOM 0 HD2 LYS A 44 -10.602 6.624 -5.515 1.00 64.14 H new ATOM 0 HD3 LYS A 44 -8.926 7.031 -5.823 1.00 64.14 H new ATOM 0 HE2 LYS A 44 -8.548 7.330 -3.377 1.00 11.20 H new ATOM 0 HE3 LYS A 44 -10.225 6.925 -3.068 1.00 11.20 H new ATOM 0 HZ1 LYS A 44 -9.519 4.855 -2.923 1.00 13.32 H new ATOM 0 HZ2 LYS A 44 -9.345 4.872 -4.612 1.00 13.32 H new ATOM 0 HZ3 LYS A 44 -8.012 5.213 -3.618 1.00 13.32 H new ATOM 710 N LYS A 45 -6.935 11.635 -6.857 1.00 12.43 N ATOM 711 CA LYS A 45 -6.003 12.684 -6.942 1.00 21.42 C ATOM 712 C LYS A 45 -6.762 13.983 -6.814 1.00 61.24 C ATOM 713 O LYS A 45 -7.675 14.263 -7.613 1.00 4.22 O ATOM 714 CB LYS A 45 -5.312 12.566 -8.300 1.00 11.31 C ATOM 715 CG LYS A 45 -4.172 13.506 -8.566 1.00 50.00 C ATOM 716 CD LYS A 45 -3.521 13.135 -9.893 1.00 5.54 C ATOM 717 CE LYS A 45 -2.804 11.781 -9.830 1.00 51.32 C ATOM 718 NZ LYS A 45 -2.200 11.400 -11.122 1.00 73.32 N ATOM 0 H LYS A 45 -7.618 11.642 -7.615 1.00 12.43 H new ATOM 0 HA LYS A 45 -5.249 12.645 -6.156 1.00 21.42 H new ATOM 0 HB2 LYS A 45 -4.942 11.546 -8.405 1.00 11.31 H new ATOM 0 HB3 LYS A 45 -6.062 12.714 -9.077 1.00 11.31 H new ATOM 0 HG2 LYS A 45 -4.532 14.534 -8.598 1.00 50.00 H new ATOM 0 HG3 LYS A 45 -3.441 13.449 -7.759 1.00 50.00 H new ATOM 0 HD2 LYS A 45 -4.282 13.105 -10.673 1.00 5.54 H new ATOM 0 HD3 LYS A 45 -2.807 13.909 -10.174 1.00 5.54 H new ATOM 0 HE2 LYS A 45 -2.027 11.820 -9.067 1.00 51.32 H new ATOM 0 HE3 LYS A 45 -3.513 11.012 -9.523 1.00 51.32 H new ATOM 0 HZ1 LYS A 45 -1.429 10.721 -10.958 1.00 73.32 H new ATOM 0 HZ2 LYS A 45 -2.923 10.963 -11.728 1.00 73.32 H new ATOM 0 HZ3 LYS A 45 -1.821 12.247 -11.591 1.00 73.32 H new ATOM 732 N ASP A 46 -6.440 14.722 -5.772 1.00 34.11 N ATOM 733 CA ASP A 46 -7.072 16.006 -5.443 1.00 32.22 C ATOM 734 C ASP A 46 -8.576 15.785 -5.164 1.00 72.53 C ATOM 735 O ASP A 46 -9.413 16.662 -5.342 1.00 32.32 O ATOM 736 CB ASP A 46 -6.821 17.039 -6.573 1.00 71.31 C ATOM 737 CG ASP A 46 -7.309 18.436 -6.235 1.00 64.20 C ATOM 738 OD1 ASP A 46 -6.790 19.036 -5.272 1.00 15.43 O ATOM 739 OD2 ASP A 46 -8.224 18.947 -6.910 1.00 54.34 O ATOM 0 H ASP A 46 -5.715 14.449 -5.108 1.00 34.11 H new ATOM 0 HA ASP A 46 -6.625 16.418 -4.538 1.00 32.22 H new ATOM 0 HB2 ASP A 46 -5.753 17.078 -6.788 1.00 71.31 H new ATOM 0 HB3 ASP A 46 -7.317 16.699 -7.482 1.00 71.31 H new ATOM 744 N GLY A 47 -8.878 14.610 -4.636 1.00 42.42 N ATOM 745 CA GLY A 47 -10.237 14.255 -4.281 1.00 24.24 C ATOM 746 C GLY A 47 -11.028 13.624 -5.420 1.00 63.41 C ATOM 747 O GLY A 47 -12.163 13.169 -5.212 1.00 32.11 O ATOM 0 H GLY A 47 -8.191 13.881 -4.443 1.00 42.42 H new ATOM 0 HA2 GLY A 47 -10.213 13.561 -3.440 1.00 24.24 H new ATOM 0 HA3 GLY A 47 -10.759 15.150 -3.941 1.00 24.24 H new ATOM 751 N LYS A 48 -10.451 13.574 -6.606 1.00 24.21 N ATOM 752 CA LYS A 48 -11.128 12.978 -7.748 1.00 13.11 C ATOM 753 C LYS A 48 -10.495 11.687 -8.163 1.00 70.12 C ATOM 754 O LYS A 48 -9.282 11.566 -8.182 1.00 14.34 O ATOM 755 CB LYS A 48 -11.141 13.906 -8.948 1.00 35.14 C ATOM 756 CG LYS A 48 -11.981 15.157 -8.798 1.00 40.05 C ATOM 757 CD LYS A 48 -11.940 15.981 -10.078 1.00 10.01 C ATOM 758 CE LYS A 48 -12.431 15.178 -11.284 1.00 52.22 C ATOM 759 NZ LYS A 48 -12.379 15.962 -12.529 1.00 52.01 N ATOM 0 H LYS A 48 -9.519 13.937 -6.806 1.00 24.21 H new ATOM 0 HA LYS A 48 -12.150 12.794 -7.418 1.00 13.11 H new ATOM 0 HB2 LYS A 48 -10.115 14.203 -9.167 1.00 35.14 H new ATOM 0 HB3 LYS A 48 -11.503 13.349 -9.812 1.00 35.14 H new ATOM 0 HG2 LYS A 48 -13.011 14.885 -8.566 1.00 40.05 H new ATOM 0 HG3 LYS A 48 -11.612 15.752 -7.963 1.00 40.05 H new ATOM 0 HD2 LYS A 48 -12.558 16.871 -9.958 1.00 10.01 H new ATOM 0 HD3 LYS A 48 -10.921 16.322 -10.259 1.00 10.01 H new ATOM 0 HE2 LYS A 48 -11.821 14.281 -11.395 1.00 52.22 H new ATOM 0 HE3 LYS A 48 -13.454 14.847 -11.107 1.00 52.22 H new ATOM 0 HZ1 LYS A 48 -12.720 15.380 -13.320 1.00 52.01 H new ATOM 0 HZ2 LYS A 48 -12.981 16.805 -12.434 1.00 52.01 H new ATOM 0 HZ3 LYS A 48 -11.399 16.256 -12.713 1.00 52.01 H new ATOM 773 N GLN A 49 -11.313 10.732 -8.493 1.00 70.01 N ATOM 774 CA GLN A 49 -10.849 9.465 -8.993 1.00 14.42 C ATOM 775 C GLN A 49 -10.506 9.583 -10.470 1.00 74.22 C ATOM 776 O GLN A 49 -11.346 9.955 -11.296 1.00 22.14 O ATOM 777 CB GLN A 49 -11.870 8.310 -8.750 1.00 41.24 C ATOM 778 CG GLN A 49 -13.267 8.492 -9.367 1.00 62.00 C ATOM 779 CD GLN A 49 -14.046 9.640 -8.766 1.00 52.33 C ATOM 780 OE1 GLN A 49 -13.883 9.970 -7.589 1.00 12.22 O ATOM 781 NE2 GLN A 49 -14.848 10.272 -9.553 1.00 34.04 N ATOM 0 H GLN A 49 -12.328 10.807 -8.424 1.00 70.01 H new ATOM 0 HA GLN A 49 -9.951 9.204 -8.433 1.00 14.42 H new ATOM 0 HB2 GLN A 49 -11.441 7.387 -9.141 1.00 41.24 H new ATOM 0 HB3 GLN A 49 -11.986 8.177 -7.674 1.00 41.24 H new ATOM 0 HG2 GLN A 49 -13.163 8.656 -10.440 1.00 62.00 H new ATOM 0 HG3 GLN A 49 -13.835 7.571 -9.238 1.00 62.00 H new ATOM 0 HE21 GLN A 49 -14.957 9.969 -10.521 1.00 34.04 H new ATOM 0 HE22 GLN A 49 -15.374 11.075 -9.208 1.00 34.04 H new ATOM 790 N VAL A 50 -9.282 9.297 -10.783 1.00 14.11 N ATOM 791 CA VAL A 50 -8.784 9.361 -12.134 1.00 52.13 C ATOM 792 C VAL A 50 -8.004 8.113 -12.423 1.00 62.23 C ATOM 793 O VAL A 50 -7.618 7.398 -11.503 1.00 3.33 O ATOM 794 CB VAL A 50 -7.865 10.598 -12.358 1.00 70.14 C ATOM 795 CG1 VAL A 50 -8.657 11.893 -12.244 1.00 0.30 C ATOM 796 CG2 VAL A 50 -6.709 10.599 -11.351 1.00 3.32 C ATOM 0 H VAL A 50 -8.583 9.007 -10.100 1.00 14.11 H new ATOM 0 HA VAL A 50 -9.638 9.453 -12.805 1.00 52.13 H new ATOM 0 HB VAL A 50 -7.455 10.532 -13.366 1.00 70.14 H new ATOM 0 HG11 VAL A 50 -7.992 12.742 -12.405 1.00 0.30 H new ATOM 0 HG12 VAL A 50 -9.447 11.904 -12.995 1.00 0.30 H new ATOM 0 HG13 VAL A 50 -9.100 11.962 -11.251 1.00 0.30 H new ATOM 0 HG21 VAL A 50 -6.077 11.471 -11.523 1.00 3.32 H new ATOM 0 HG22 VAL A 50 -7.109 10.635 -10.338 1.00 3.32 H new ATOM 0 HG23 VAL A 50 -6.117 9.692 -11.475 1.00 3.32 H new ATOM 806 N TRP A 51 -7.755 7.853 -13.664 1.00 50.03 N ATOM 807 CA TRP A 51 -6.990 6.710 -14.035 1.00 41.32 C ATOM 808 C TRP A 51 -5.553 7.116 -14.190 1.00 23.11 C ATOM 809 O TRP A 51 -5.233 8.068 -14.920 1.00 63.02 O ATOM 810 CB TRP A 51 -7.495 6.112 -15.348 1.00 65.34 C ATOM 811 CG TRP A 51 -8.875 5.591 -15.304 1.00 71.33 C ATOM 812 CD1 TRP A 51 -9.933 6.111 -15.926 1.00 70.20 C ATOM 813 CD2 TRP A 51 -9.341 4.448 -14.595 1.00 20.10 C ATOM 814 NE1 TRP A 51 -11.050 5.363 -15.676 1.00 34.32 N ATOM 815 CE2 TRP A 51 -10.712 4.335 -14.849 1.00 60.23 C ATOM 816 CE3 TRP A 51 -8.733 3.512 -13.779 1.00 33.02 C ATOM 817 CZ2 TRP A 51 -11.488 3.316 -14.311 1.00 63.43 C ATOM 818 CZ3 TRP A 51 -9.501 2.502 -13.245 1.00 44.03 C ATOM 819 CH2 TRP A 51 -10.865 2.414 -13.513 1.00 53.52 C ATOM 0 H TRP A 51 -8.075 8.424 -14.446 1.00 50.03 H new ATOM 0 HA TRP A 51 -7.090 5.954 -13.256 1.00 41.32 H new ATOM 0 HB2 TRP A 51 -7.435 6.875 -16.124 1.00 65.34 H new ATOM 0 HB3 TRP A 51 -6.826 5.303 -15.643 1.00 65.34 H new ATOM 0 HD1 TRP A 51 -9.911 6.998 -16.541 1.00 70.20 H new ATOM 0 HE1 TRP A 51 -11.982 5.545 -16.048 1.00 34.32 H new ATOM 0 HE3 TRP A 51 -7.676 3.572 -13.565 1.00 33.02 H new ATOM 0 HZ2 TRP A 51 -12.545 3.245 -14.520 1.00 63.43 H new ATOM 0 HZ3 TRP A 51 -9.037 1.764 -12.607 1.00 44.03 H new ATOM 0 HH2 TRP A 51 -11.439 1.610 -13.076 1.00 53.52 H new ATOM 830 N GLU A 52 -4.701 6.457 -13.492 1.00 64.22 N ATOM 831 CA GLU A 52 -3.310 6.716 -13.593 1.00 13.34 C ATOM 832 C GLU A 52 -2.649 5.480 -14.139 1.00 55.14 C ATOM 833 O GLU A 52 -3.027 4.360 -13.774 1.00 32.14 O ATOM 834 CB GLU A 52 -2.728 7.108 -12.234 1.00 53.35 C ATOM 835 CG GLU A 52 -1.272 7.520 -12.295 1.00 54.11 C ATOM 836 CD GLU A 52 -0.725 7.949 -10.965 1.00 50.34 C ATOM 837 OE1 GLU A 52 -0.828 9.154 -10.626 1.00 54.00 O ATOM 838 OE2 GLU A 52 -0.156 7.104 -10.247 1.00 25.43 O ATOM 0 H GLU A 52 -4.949 5.720 -12.832 1.00 64.22 H new ATOM 0 HA GLU A 52 -3.130 7.556 -14.263 1.00 13.34 H new ATOM 0 HB2 GLU A 52 -3.313 7.930 -11.821 1.00 53.35 H new ATOM 0 HB3 GLU A 52 -2.831 6.267 -11.548 1.00 53.35 H new ATOM 0 HG2 GLU A 52 -0.680 6.686 -12.673 1.00 54.11 H new ATOM 0 HG3 GLU A 52 -1.162 8.338 -13.007 1.00 54.11 H new ATOM 845 N ALA A 53 -1.716 5.665 -15.031 1.00 2.22 N ATOM 846 CA ALA A 53 -1.030 4.563 -15.638 1.00 54.32 C ATOM 847 C ALA A 53 -0.191 3.839 -14.617 1.00 52.03 C ATOM 848 O ALA A 53 0.527 4.475 -13.821 1.00 32.41 O ATOM 849 CB ALA A 53 -0.169 5.042 -16.794 1.00 74.21 C ATOM 0 H ALA A 53 -1.411 6.583 -15.356 1.00 2.22 H new ATOM 0 HA ALA A 53 -1.773 3.868 -16.030 1.00 54.32 H new ATOM 0 HB1 ALA A 53 0.344 4.191 -17.242 1.00 74.21 H new ATOM 0 HB2 ALA A 53 -0.799 5.521 -17.543 1.00 74.21 H new ATOM 0 HB3 ALA A 53 0.567 5.758 -16.427 1.00 74.21 H new ATOM 855 N ALA A 54 -0.309 2.522 -14.605 1.00 22.54 N ATOM 856 CA ALA A 54 0.485 1.694 -13.740 1.00 60.40 C ATOM 857 C ALA A 54 1.954 1.918 -14.052 1.00 21.23 C ATOM 858 O ALA A 54 2.324 2.189 -15.200 1.00 65.44 O ATOM 859 CB ALA A 54 0.112 0.233 -13.917 1.00 51.23 C ATOM 0 H ALA A 54 -0.960 2.006 -15.197 1.00 22.54 H new ATOM 0 HA ALA A 54 0.295 1.962 -12.701 1.00 60.40 H new ATOM 0 HB1 ALA A 54 0.722 -0.381 -13.255 1.00 51.23 H new ATOM 0 HB2 ALA A 54 -0.941 0.094 -13.672 1.00 51.23 H new ATOM 0 HB3 ALA A 54 0.287 -0.064 -14.951 1.00 51.23 H new ATOM 865 N SER A 55 2.773 1.810 -13.063 1.00 63.24 N ATOM 866 CA SER A 55 4.147 2.099 -13.221 1.00 51.32 C ATOM 867 C SER A 55 4.881 0.798 -13.290 1.00 32.04 C ATOM 868 O SER A 55 4.389 -0.211 -12.776 1.00 53.41 O ATOM 869 CB SER A 55 4.643 2.958 -12.046 1.00 11.22 C ATOM 870 OG SER A 55 6.000 3.341 -12.223 1.00 63.52 O ATOM 0 H SER A 55 2.504 1.518 -12.123 1.00 63.24 H new ATOM 0 HA SER A 55 4.322 2.667 -14.135 1.00 51.32 H new ATOM 0 HB2 SER A 55 4.021 3.848 -11.955 1.00 11.22 H new ATOM 0 HB3 SER A 55 4.539 2.400 -11.115 1.00 11.22 H new ATOM 0 HG SER A 55 6.288 3.887 -11.462 1.00 63.52 H new ATOM 876 N LYS A 56 6.044 0.810 -13.902 1.00 42.41 N ATOM 877 CA LYS A 56 6.841 -0.384 -14.078 1.00 61.13 C ATOM 878 C LYS A 56 7.196 -1.014 -12.748 1.00 52.53 C ATOM 879 O LYS A 56 7.319 -2.218 -12.642 1.00 33.33 O ATOM 880 CB LYS A 56 8.069 -0.055 -14.898 1.00 33.02 C ATOM 881 CG LYS A 56 7.682 0.433 -16.281 1.00 33.23 C ATOM 882 CD LYS A 56 8.859 0.889 -17.093 1.00 4.42 C ATOM 883 CE LYS A 56 9.845 -0.223 -17.401 1.00 13.14 C ATOM 884 NZ LYS A 56 10.959 0.266 -18.241 1.00 53.33 N ATOM 0 H LYS A 56 6.466 1.652 -14.294 1.00 42.41 H new ATOM 0 HA LYS A 56 6.255 -1.126 -14.620 1.00 61.13 H new ATOM 0 HB2 LYS A 56 8.657 0.709 -14.390 1.00 33.02 H new ATOM 0 HB3 LYS A 56 8.701 -0.939 -14.984 1.00 33.02 H new ATOM 0 HG2 LYS A 56 7.169 -0.369 -16.813 1.00 33.23 H new ATOM 0 HG3 LYS A 56 6.973 1.256 -16.185 1.00 33.23 H new ATOM 0 HD2 LYS A 56 8.501 1.317 -18.029 1.00 4.42 H new ATOM 0 HD3 LYS A 56 9.376 1.684 -16.556 1.00 4.42 H new ATOM 0 HE2 LYS A 56 10.240 -0.630 -16.470 1.00 13.14 H new ATOM 0 HE3 LYS A 56 9.331 -1.037 -17.912 1.00 13.14 H new ATOM 0 HZ1 LYS A 56 11.617 -0.516 -18.435 1.00 53.33 H new ATOM 0 HZ2 LYS A 56 10.582 0.632 -19.138 1.00 53.33 H new ATOM 0 HZ3 LYS A 56 11.463 1.026 -17.741 1.00 53.33 H new ATOM 898 N THR A 57 7.293 -0.186 -11.731 1.00 45.12 N ATOM 899 CA THR A 57 7.587 -0.632 -10.397 1.00 1.21 C ATOM 900 C THR A 57 6.424 -1.476 -9.837 1.00 71.33 C ATOM 901 O THR A 57 6.624 -2.576 -9.310 1.00 73.42 O ATOM 902 CB THR A 57 7.832 0.588 -9.501 1.00 3.50 C ATOM 903 OG1 THR A 57 6.707 1.474 -9.620 1.00 44.33 O ATOM 904 CG2 THR A 57 9.087 1.326 -9.937 1.00 54.23 C ATOM 0 H THR A 57 7.168 0.823 -11.813 1.00 45.12 H new ATOM 0 HA THR A 57 8.480 -1.257 -10.418 1.00 1.21 H new ATOM 0 HB THR A 57 7.958 0.257 -8.470 1.00 3.50 H new ATOM 0 HG1 THR A 57 6.848 2.260 -9.051 1.00 44.33 H new ATOM 0 HG21 THR A 57 9.245 2.189 -9.290 1.00 54.23 H new ATOM 0 HG22 THR A 57 9.945 0.658 -9.867 1.00 54.23 H new ATOM 0 HG23 THR A 57 8.972 1.662 -10.968 1.00 54.23 H new ATOM 912 N ALA A 58 5.213 -0.956 -9.986 1.00 70.45 N ATOM 913 CA ALA A 58 4.008 -1.618 -9.511 1.00 73.40 C ATOM 914 C ALA A 58 3.680 -2.822 -10.375 1.00 41.10 C ATOM 915 O ALA A 58 3.214 -3.856 -9.874 1.00 55.35 O ATOM 916 CB ALA A 58 2.843 -0.644 -9.480 1.00 2.40 C ATOM 0 H ALA A 58 5.039 -0.060 -10.441 1.00 70.45 H new ATOM 0 HA ALA A 58 4.188 -1.970 -8.495 1.00 73.40 H new ATOM 0 HB1 ALA A 58 1.950 -1.156 -9.122 1.00 2.40 H new ATOM 0 HB2 ALA A 58 3.079 0.184 -8.811 1.00 2.40 H new ATOM 0 HB3 ALA A 58 2.663 -0.260 -10.484 1.00 2.40 H new ATOM 922 N LEU A 59 3.925 -2.689 -11.668 1.00 70.34 N ATOM 923 CA LEU A 59 3.718 -3.763 -12.601 1.00 3.32 C ATOM 924 C LEU A 59 4.605 -4.956 -12.240 1.00 22.33 C ATOM 925 O LEU A 59 4.111 -6.062 -12.069 1.00 62.42 O ATOM 926 CB LEU A 59 3.981 -3.283 -14.041 1.00 13.20 C ATOM 927 CG LEU A 59 2.967 -2.305 -14.643 1.00 51.44 C ATOM 928 CD1 LEU A 59 3.516 -1.704 -15.928 1.00 12.31 C ATOM 929 CD2 LEU A 59 1.690 -3.039 -14.965 1.00 5.54 C ATOM 0 H LEU A 59 4.273 -1.829 -12.092 1.00 70.34 H new ATOM 0 HA LEU A 59 2.679 -4.087 -12.543 1.00 3.32 H new ATOM 0 HB2 LEU A 59 4.963 -2.811 -14.067 1.00 13.20 H new ATOM 0 HB3 LEU A 59 4.031 -4.160 -14.687 1.00 13.20 H new ATOM 0 HG LEU A 59 2.776 -1.512 -13.920 1.00 51.44 H new ATOM 0 HD11 LEU A 59 2.786 -1.011 -16.346 1.00 12.31 H new ATOM 0 HD12 LEU A 59 4.442 -1.170 -15.714 1.00 12.31 H new ATOM 0 HD13 LEU A 59 3.714 -2.500 -16.646 1.00 12.31 H new ATOM 0 HD21 LEU A 59 0.968 -2.343 -15.393 1.00 5.54 H new ATOM 0 HD22 LEU A 59 1.898 -3.833 -15.682 1.00 5.54 H new ATOM 0 HD23 LEU A 59 1.279 -3.472 -14.053 1.00 5.54 H new ATOM 941 N LYS A 60 5.897 -4.722 -12.067 1.00 24.02 N ATOM 942 CA LYS A 60 6.817 -5.803 -11.704 1.00 54.42 C ATOM 943 C LYS A 60 6.480 -6.381 -10.332 1.00 43.33 C ATOM 944 O LYS A 60 6.653 -7.561 -10.096 1.00 54.32 O ATOM 945 CB LYS A 60 8.252 -5.331 -11.736 1.00 71.22 C ATOM 946 CG LYS A 60 8.722 -4.890 -13.106 1.00 63.33 C ATOM 947 CD LYS A 60 10.138 -4.396 -13.034 1.00 62.24 C ATOM 948 CE LYS A 60 10.637 -3.907 -14.376 1.00 61.34 C ATOM 949 NZ LYS A 60 12.021 -3.405 -14.284 1.00 63.01 N ATOM 0 H LYS A 60 6.334 -3.806 -12.169 1.00 24.02 H new ATOM 0 HA LYS A 60 6.698 -6.593 -12.445 1.00 54.42 H new ATOM 0 HB2 LYS A 60 8.367 -4.501 -11.039 1.00 71.22 H new ATOM 0 HB3 LYS A 60 8.897 -6.136 -11.383 1.00 71.22 H new ATOM 0 HG2 LYS A 60 8.655 -5.722 -13.807 1.00 63.33 H new ATOM 0 HG3 LYS A 60 8.073 -4.101 -13.485 1.00 63.33 H new ATOM 0 HD2 LYS A 60 10.203 -3.587 -12.306 1.00 62.24 H new ATOM 0 HD3 LYS A 60 10.784 -5.198 -12.677 1.00 62.24 H new ATOM 0 HE2 LYS A 60 10.590 -4.719 -15.101 1.00 61.34 H new ATOM 0 HE3 LYS A 60 9.984 -3.115 -14.742 1.00 61.34 H new ATOM 0 HZ1 LYS A 60 12.334 -3.077 -15.220 1.00 63.01 H new ATOM 0 HZ2 LYS A 60 12.059 -2.614 -13.609 1.00 63.01 H new ATOM 0 HZ3 LYS A 60 12.646 -4.169 -13.958 1.00 63.01 H new ATOM 963 N LYS A 61 5.973 -5.537 -9.449 1.00 53.13 N ATOM 964 CA LYS A 61 5.545 -5.953 -8.124 1.00 1.54 C ATOM 965 C LYS A 61 4.369 -6.938 -8.212 1.00 41.11 C ATOM 966 O LYS A 61 4.266 -7.875 -7.413 1.00 63.43 O ATOM 967 CB LYS A 61 5.275 -4.683 -7.263 1.00 0.34 C ATOM 968 CG LYS A 61 4.553 -4.833 -5.920 1.00 64.23 C ATOM 969 CD LYS A 61 3.037 -4.867 -6.102 1.00 51.32 C ATOM 970 CE LYS A 61 2.315 -4.851 -4.762 1.00 72.51 C ATOM 971 NZ LYS A 61 0.846 -4.739 -4.922 1.00 21.51 N ATOM 0 H LYS A 61 5.846 -4.541 -9.631 1.00 53.13 H new ATOM 0 HA LYS A 61 6.330 -6.514 -7.617 1.00 1.54 H new ATOM 0 HB2 LYS A 61 6.236 -4.208 -7.068 1.00 0.34 H new ATOM 0 HB3 LYS A 61 4.695 -3.990 -7.872 1.00 0.34 H new ATOM 0 HG2 LYS A 61 4.882 -5.748 -5.429 1.00 64.23 H new ATOM 0 HG3 LYS A 61 4.824 -4.005 -5.265 1.00 64.23 H new ATOM 0 HD2 LYS A 61 2.721 -4.010 -6.697 1.00 51.32 H new ATOM 0 HD3 LYS A 61 2.756 -5.762 -6.658 1.00 51.32 H new ATOM 0 HE2 LYS A 61 2.551 -5.762 -4.213 1.00 72.51 H new ATOM 0 HE3 LYS A 61 2.679 -4.015 -4.164 1.00 72.51 H new ATOM 0 HZ1 LYS A 61 0.394 -4.732 -3.985 1.00 21.51 H new ATOM 0 HZ2 LYS A 61 0.618 -3.857 -5.423 1.00 21.51 H new ATOM 0 HZ3 LYS A 61 0.494 -5.550 -5.470 1.00 21.51 H new ATOM 985 N SER A 62 3.531 -6.739 -9.200 1.00 62.12 N ATOM 986 CA SER A 62 2.408 -7.606 -9.460 1.00 31.40 C ATOM 987 C SER A 62 2.874 -8.877 -10.204 1.00 24.51 C ATOM 988 O SER A 62 2.459 -9.992 -9.881 1.00 33.13 O ATOM 989 CB SER A 62 1.391 -6.829 -10.287 1.00 23.42 C ATOM 990 OG SER A 62 1.009 -5.641 -9.589 1.00 34.25 O ATOM 0 H SER A 62 3.611 -5.961 -9.854 1.00 62.12 H new ATOM 0 HA SER A 62 1.950 -7.926 -8.524 1.00 31.40 H new ATOM 0 HB2 SER A 62 1.817 -6.572 -11.257 1.00 23.42 H new ATOM 0 HB3 SER A 62 0.514 -7.448 -10.478 1.00 23.42 H new ATOM 0 HG SER A 62 1.737 -4.987 -9.634 1.00 34.25 H new ATOM 996 N TRP A 63 3.778 -8.696 -11.166 1.00 60.33 N ATOM 997 CA TRP A 63 4.271 -9.781 -11.987 1.00 4.02 C ATOM 998 C TRP A 63 5.186 -10.718 -11.188 1.00 44.44 C ATOM 999 O TRP A 63 5.291 -11.898 -11.488 1.00 45.34 O ATOM 1000 CB TRP A 63 4.980 -9.223 -13.229 1.00 51.42 C ATOM 1001 CG TRP A 63 5.432 -10.271 -14.186 1.00 20.44 C ATOM 1002 CD1 TRP A 63 6.671 -10.800 -14.267 1.00 74.41 C ATOM 1003 CD2 TRP A 63 4.643 -10.929 -15.191 1.00 4.44 C ATOM 1004 NE1 TRP A 63 6.719 -11.740 -15.264 1.00 31.05 N ATOM 1005 CE2 TRP A 63 5.482 -11.841 -15.843 1.00 14.22 C ATOM 1006 CE3 TRP A 63 3.307 -10.832 -15.597 1.00 21.54 C ATOM 1007 CZ2 TRP A 63 5.032 -12.657 -16.885 1.00 74.23 C ATOM 1008 CZ3 TRP A 63 2.862 -11.639 -16.627 1.00 73.22 C ATOM 1009 CH2 TRP A 63 3.724 -12.542 -17.258 1.00 11.35 C ATOM 0 H TRP A 63 4.185 -7.788 -11.392 1.00 60.33 H new ATOM 0 HA TRP A 63 3.420 -10.377 -12.318 1.00 4.02 H new ATOM 0 HB2 TRP A 63 4.305 -8.540 -13.745 1.00 51.42 H new ATOM 0 HB3 TRP A 63 5.843 -8.638 -12.911 1.00 51.42 H new ATOM 0 HD1 TRP A 63 7.504 -10.523 -13.638 1.00 74.41 H new ATOM 0 HE1 TRP A 63 7.543 -12.278 -15.531 1.00 31.05 H new ATOM 0 HE3 TRP A 63 2.635 -10.138 -15.114 1.00 21.54 H new ATOM 0 HZ2 TRP A 63 5.695 -13.353 -17.377 1.00 74.23 H new ATOM 0 HZ3 TRP A 63 1.833 -11.571 -16.949 1.00 73.22 H new ATOM 0 HH2 TRP A 63 3.346 -13.162 -18.058 1.00 11.35 H new ATOM 1020 N LYS A 64 5.845 -10.186 -10.176 1.00 11.11 N ATOM 1021 CA LYS A 64 6.715 -10.985 -9.315 1.00 62.52 C ATOM 1022 C LYS A 64 5.900 -12.141 -8.697 1.00 40.11 C ATOM 1023 O LYS A 64 6.379 -13.269 -8.584 1.00 21.51 O ATOM 1024 CB LYS A 64 7.346 -10.058 -8.235 1.00 64.03 C ATOM 1025 CG LYS A 64 8.456 -10.653 -7.341 1.00 32.20 C ATOM 1026 CD LYS A 64 7.958 -11.683 -6.340 1.00 52.11 C ATOM 1027 CE LYS A 64 9.091 -12.167 -5.455 1.00 53.22 C ATOM 1028 NZ LYS A 64 8.629 -13.130 -4.435 1.00 42.11 N ATOM 0 H LYS A 64 5.798 -9.199 -9.924 1.00 11.11 H new ATOM 0 HA LYS A 64 7.529 -11.431 -9.887 1.00 62.52 H new ATOM 0 HB2 LYS A 64 7.755 -9.183 -8.741 1.00 64.03 H new ATOM 0 HB3 LYS A 64 6.545 -9.705 -7.586 1.00 64.03 H new ATOM 0 HG2 LYS A 64 9.212 -11.115 -7.977 1.00 32.20 H new ATOM 0 HG3 LYS A 64 8.946 -9.843 -6.800 1.00 32.20 H new ATOM 0 HD2 LYS A 64 7.171 -11.247 -5.725 1.00 52.11 H new ATOM 0 HD3 LYS A 64 7.518 -12.528 -6.870 1.00 52.11 H new ATOM 0 HE2 LYS A 64 9.858 -12.634 -6.073 1.00 53.22 H new ATOM 0 HE3 LYS A 64 9.555 -11.313 -4.962 1.00 53.22 H new ATOM 0 HZ1 LYS A 64 9.314 -13.164 -3.654 1.00 42.11 H new ATOM 0 HZ2 LYS A 64 7.702 -12.831 -4.070 1.00 42.11 H new ATOM 0 HZ3 LYS A 64 8.545 -14.074 -4.862 1.00 42.11 H new ATOM 1042 N ARG A 65 4.663 -11.851 -8.328 1.00 3.14 N ATOM 1043 CA ARG A 65 3.782 -12.859 -7.767 1.00 2.53 C ATOM 1044 C ARG A 65 3.302 -13.819 -8.865 1.00 1.31 C ATOM 1045 O ARG A 65 3.063 -15.007 -8.615 1.00 61.43 O ATOM 1046 CB ARG A 65 2.601 -12.204 -7.077 1.00 41.34 C ATOM 1047 CG ARG A 65 1.740 -13.176 -6.301 1.00 70.11 C ATOM 1048 CD ARG A 65 0.647 -12.466 -5.546 1.00 73.00 C ATOM 1049 NE ARG A 65 1.183 -11.514 -4.566 1.00 60.03 N ATOM 1050 CZ ARG A 65 0.568 -11.144 -3.444 1.00 32.43 C ATOM 1051 NH1 ARG A 65 -0.609 -11.676 -3.108 1.00 62.53 N ATOM 1052 NH2 ARG A 65 1.136 -10.244 -2.653 1.00 63.10 N ATOM 0 H ARG A 65 4.247 -10.923 -8.408 1.00 3.14 H new ATOM 0 HA ARG A 65 4.337 -13.434 -7.026 1.00 2.53 H new ATOM 0 HB2 ARG A 65 2.968 -11.434 -6.398 1.00 41.34 H new ATOM 0 HB3 ARG A 65 1.986 -11.703 -7.824 1.00 41.34 H new ATOM 0 HG2 ARG A 65 1.299 -13.900 -6.986 1.00 70.11 H new ATOM 0 HG3 ARG A 65 2.361 -13.736 -5.602 1.00 70.11 H new ATOM 0 HD2 ARG A 65 0.004 -11.938 -6.250 1.00 73.00 H new ATOM 0 HD3 ARG A 65 0.024 -13.200 -5.035 1.00 73.00 H new ATOM 0 HE ARG A 65 2.097 -11.104 -4.759 1.00 60.03 H new ATOM 0 HH11 ARG A 65 -1.045 -12.372 -3.712 1.00 62.53 H new ATOM 0 HH12 ARG A 65 -1.072 -11.386 -2.247 1.00 62.53 H new ATOM 0 HH21 ARG A 65 2.038 -9.840 -2.905 1.00 63.10 H new ATOM 0 HH22 ARG A 65 0.671 -9.956 -1.792 1.00 63.10 H new ATOM 1066 N TYR A 66 3.166 -13.278 -10.083 1.00 13.21 N ATOM 1067 CA TYR A 66 2.741 -14.039 -11.266 1.00 21.14 C ATOM 1068 C TYR A 66 3.740 -15.155 -11.480 1.00 72.22 C ATOM 1069 O TYR A 66 3.377 -16.289 -11.782 1.00 3.45 O ATOM 1070 CB TYR A 66 2.722 -13.105 -12.486 1.00 34.24 C ATOM 1071 CG TYR A 66 2.020 -13.648 -13.706 1.00 10.10 C ATOM 1072 CD1 TYR A 66 2.556 -14.681 -14.453 1.00 11.24 C ATOM 1073 CD2 TYR A 66 0.824 -13.103 -14.120 1.00 55.14 C ATOM 1074 CE1 TYR A 66 1.919 -15.159 -15.573 1.00 52.42 C ATOM 1075 CE2 TYR A 66 0.178 -13.572 -15.235 1.00 61.35 C ATOM 1076 CZ TYR A 66 0.726 -14.602 -15.965 1.00 11.45 C ATOM 1077 OH TYR A 66 0.074 -15.076 -17.092 1.00 23.51 O ATOM 0 H TYR A 66 3.349 -12.293 -10.277 1.00 13.21 H new ATOM 0 HA TYR A 66 1.742 -14.453 -11.127 1.00 21.14 H new ATOM 0 HB2 TYR A 66 2.243 -12.169 -12.198 1.00 34.24 H new ATOM 0 HB3 TYR A 66 3.751 -12.867 -12.756 1.00 34.24 H new ATOM 0 HD1 TYR A 66 3.495 -15.121 -14.150 1.00 11.24 H new ATOM 0 HD2 TYR A 66 0.388 -12.292 -13.556 1.00 55.14 H new ATOM 0 HE1 TYR A 66 2.354 -15.968 -16.142 1.00 52.42 H new ATOM 0 HE2 TYR A 66 -0.760 -13.133 -15.540 1.00 61.35 H new ATOM 0 HH TYR A 66 -0.756 -14.572 -17.226 1.00 23.51 H new ATOM 1087 N GLU A 67 5.005 -14.818 -11.304 1.00 62.31 N ATOM 1088 CA GLU A 67 6.087 -15.779 -11.367 1.00 14.41 C ATOM 1089 C GLU A 67 5.876 -16.845 -10.331 1.00 12.34 C ATOM 1090 O GLU A 67 5.898 -18.017 -10.629 1.00 12.32 O ATOM 1091 CB GLU A 67 7.415 -15.087 -11.080 1.00 1.30 C ATOM 1092 CG GLU A 67 7.746 -13.990 -12.045 1.00 31.54 C ATOM 1093 CD GLU A 67 8.011 -14.505 -13.443 1.00 64.44 C ATOM 1094 OE1 GLU A 67 7.070 -14.681 -14.226 1.00 43.14 O ATOM 1095 OE2 GLU A 67 9.192 -14.752 -13.774 1.00 21.00 O ATOM 0 H GLU A 67 5.310 -13.864 -11.112 1.00 62.31 H new ATOM 0 HA GLU A 67 6.105 -16.219 -12.364 1.00 14.41 H new ATOM 0 HB2 GLU A 67 7.389 -14.675 -10.071 1.00 1.30 H new ATOM 0 HB3 GLU A 67 8.213 -15.829 -11.101 1.00 1.30 H new ATOM 0 HG2 GLU A 67 6.922 -13.277 -12.075 1.00 31.54 H new ATOM 0 HG3 GLU A 67 8.623 -13.450 -11.688 1.00 31.54 H new ATOM 1102 N GLN A 68 5.629 -16.423 -9.126 1.00 71.14 N ATOM 1103 CA GLN A 68 5.512 -17.362 -8.013 1.00 11.24 C ATOM 1104 C GLN A 68 4.430 -18.421 -8.237 1.00 61.01 C ATOM 1105 O GLN A 68 4.695 -19.624 -8.108 1.00 31.53 O ATOM 1106 CB GLN A 68 5.235 -16.636 -6.702 1.00 64.03 C ATOM 1107 CG GLN A 68 6.293 -15.649 -6.306 1.00 61.34 C ATOM 1108 CD GLN A 68 6.014 -15.018 -4.967 1.00 55.44 C ATOM 1109 OE1 GLN A 68 5.357 -13.983 -4.869 1.00 24.30 O ATOM 1110 NE2 GLN A 68 6.519 -15.621 -3.926 1.00 52.34 N ATOM 0 H GLN A 68 5.503 -15.443 -8.874 1.00 71.14 H new ATOM 0 HA GLN A 68 6.474 -17.870 -7.956 1.00 11.24 H new ATOM 0 HB2 GLN A 68 4.281 -16.115 -6.784 1.00 64.03 H new ATOM 0 HB3 GLN A 68 5.128 -17.374 -5.907 1.00 64.03 H new ATOM 0 HG2 GLN A 68 7.261 -16.150 -6.274 1.00 61.34 H new ATOM 0 HG3 GLN A 68 6.362 -14.870 -7.065 1.00 61.34 H new ATOM 0 HE21 GLN A 68 7.059 -16.478 -4.045 1.00 52.34 H new ATOM 0 HE22 GLN A 68 6.374 -15.235 -2.993 1.00 52.34 H new ATOM 1119 N GLU A 69 3.238 -18.001 -8.568 1.00 71.44 N ATOM 1120 CA GLU A 69 2.181 -18.957 -8.785 1.00 52.13 C ATOM 1121 C GLU A 69 2.283 -19.668 -10.141 1.00 32.32 C ATOM 1122 O GLU A 69 2.191 -20.881 -10.213 1.00 42.14 O ATOM 1123 CB GLU A 69 0.780 -18.380 -8.528 1.00 42.54 C ATOM 1124 CG GLU A 69 0.623 -17.792 -7.127 1.00 61.15 C ATOM 1125 CD GLU A 69 -0.815 -17.516 -6.730 1.00 11.50 C ATOM 1126 OE1 GLU A 69 -1.491 -16.681 -7.374 1.00 10.52 O ATOM 1127 OE2 GLU A 69 -1.280 -18.119 -5.730 1.00 32.20 O ATOM 0 H GLU A 69 2.976 -17.023 -8.692 1.00 71.44 H new ATOM 0 HA GLU A 69 2.331 -19.727 -8.028 1.00 52.13 H new ATOM 0 HB2 GLU A 69 0.571 -17.606 -9.266 1.00 42.54 H new ATOM 0 HB3 GLU A 69 0.038 -19.165 -8.671 1.00 42.54 H new ATOM 0 HG2 GLU A 69 1.063 -18.479 -6.404 1.00 61.15 H new ATOM 0 HG3 GLU A 69 1.190 -16.863 -7.069 1.00 61.15 H new