USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 863 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 96 SER OG : rot 180:sc= 0.119 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -135:sc= 0.44 (180deg=-1.76!) USER MOD Set 2.1: A 97 CYS SG : rot 176:sc= -1.78 USER MOD Set 2.2: A 102 CYS SG : rot 166:sc= 1.78! USER MOD Set 2.3: A 104 LYS NZ :NH3+ 125:sc= 1.43 (180deg=-0.237) USER MOD Set 2.4: A 115 HIS : no HE2:sc= -1.37 K(o=-1.1,f=-4.6) USER MOD Set 2.5: A 116 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-3.5!) USER MOD Set 2.6: A 119 HIS : no HE2:sc= -0.0971 K(o=-1.1,f=-3.9) USER MOD Set 3.1: A 69 CYS SG : rot 100:sc= 2.61 USER MOD Set 3.2: A 71 THR OG1 : rot 78:sc= 0.845 USER MOD Set 3.3: A 72 CYS SG : rot -43:sc= 0.591 USER MOD Set 3.4: A 85 HIS : no HD1:sc= -1.38 K(o=2.5,f=1.6) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -0.185 K(o=2.5,f=1.3) USER MOD Set 4.1: A 68 GLN : amide:sc= 1.19 K(o=1.2,f=-0.27) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 160:sc= 0.0178 (180deg=0) USER MOD Set 5.1: A 39 CYS SG : rot -150:sc= 0.623 USER MOD Set 5.2: A 57 HIS : no HD1:sc= -2.02 X(o=-0.3,f=-0.083) USER MOD Set 5.3: A 58 GLN : amide:sc= 1.18 X(o=-0.3,f=0.011) USER MOD Set 5.4: A 61 HIS : no HE2:sc= -0.0855 X(o=-0.3,f=0.011) USER MOD Set 6.1: A 9 CYS SG : rot 164:sc= 0.755 USER MOD Set 6.2: A 14 CYS SG : rot -153:sc= 0.828 USER MOD Set 6.3: A 16 LYS NZ :NH3+ 147:sc= 1.36 (180deg=-0.226) USER MOD Set 6.4: A 18 TYR OH : rot 180:sc= -0.284 USER MOD Set 6.5: A 27 HIS : no HE2:sc= -1.18 K(o=0.43,f=-1.5) USER MOD Set 6.6: A 31 HIS : no HE2:sc= -1.05 K(o=0.43,f=-3.9!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.36 K(o=1.4,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 23 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-8!) USER MOD Single : A 25 GLN : amide:sc= -0.0901 K(o=-0.09,f=-3.1!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -43:sc= 1.13 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -54:sc= 1.2 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 38 GLN : amide:sc=-0.00382 K(o=-0.0038,f=-2.3) USER MOD Single : A 49 SER OG : rot -29:sc= 0.831 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.517 F(o=-1.3,f=-0.52) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -73:sc= 0.438 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0786) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0047) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.52) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00427) USER MOD Single : A 84 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 86 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 88 THR OG1 : rot -103:sc= 1.18 USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.67 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0352) USER MOD Single : A 101 SER OG : rot -4:sc= 1.15 USER MOD Single : A 103 GLN : amide:sc= 0.273 X(o=0.27,f=-0.023) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.994 K(o=0.99,f=-0.03) USER MOD Single : A 118 MET CE :methyl 164:sc= 0 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 3.751 20.457 -7.315 1.00 0.00 N ATOM 98 CA PHE A 7 3.811 19.644 -6.089 1.00 0.00 C ATOM 99 C PHE A 7 5.242 19.589 -5.539 1.00 0.00 C ATOM 100 O PHE A 7 6.186 19.719 -6.280 1.00 0.00 O ATOM 101 CB PHE A 7 3.321 18.211 -6.396 1.00 0.00 C ATOM 102 CG PHE A 7 1.925 18.125 -6.997 1.00 0.00 C ATOM 103 CD1 PHE A 7 0.800 18.047 -6.161 1.00 0.00 C ATOM 104 CD2 PHE A 7 1.738 18.180 -8.391 1.00 0.00 C ATOM 105 CE1 PHE A 7 -0.499 18.106 -6.697 1.00 0.00 C ATOM 106 CE2 PHE A 7 0.439 18.192 -8.935 1.00 0.00 C ATOM 107 CZ PHE A 7 -0.679 18.190 -8.087 1.00 0.00 C ATOM 0 HA PHE A 7 3.169 20.103 -5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.026 17.741 -7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 7 3.340 17.631 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.933 17.941 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.595 18.213 -9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.356 18.087 -6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.303 18.203 -10.006 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.674 18.253 -8.502 1.00 0.00 H new ATOM 117 N MET A 8 5.383 19.510 -4.216 1.00 0.00 N ATOM 118 CA MET A 8 6.699 19.224 -3.591 1.00 0.00 C ATOM 119 C MET A 8 6.556 18.217 -2.473 1.00 0.00 C ATOM 120 O MET A 8 5.528 18.167 -1.790 1.00 0.00 O ATOM 121 CB MET A 8 7.350 20.512 -3.057 1.00 0.00 C ATOM 122 CG MET A 8 6.699 21.123 -1.802 1.00 0.00 C ATOM 123 SD MET A 8 4.987 21.704 -1.979 1.00 0.00 S ATOM 124 CE MET A 8 4.588 22.008 -0.240 1.00 0.00 C ATOM 0 H MET A 8 4.619 19.637 -3.552 1.00 0.00 H new ATOM 0 HA MET A 8 7.345 18.803 -4.362 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.396 20.302 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.336 21.259 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.726 20.378 -1.007 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.312 21.962 -1.474 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.564 22.373 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.688 21.080 0.324 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.272 22.754 0.165 1.00 0.00 H new ATOM 134 N CYS A 9 7.626 17.474 -2.233 1.00 0.00 N ATOM 135 CA CYS A 9 7.722 16.618 -1.069 1.00 0.00 C ATOM 136 C CYS A 9 7.734 17.467 0.221 1.00 0.00 C ATOM 137 O CYS A 9 8.279 18.578 0.245 1.00 0.00 O ATOM 138 CB CYS A 9 8.999 15.777 -1.153 1.00 0.00 C ATOM 139 SG CYS A 9 9.171 14.747 0.318 1.00 0.00 S ATOM 0 H CYS A 9 8.446 17.450 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 9 6.856 15.957 -1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.971 15.149 -2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.866 16.430 -1.251 1.00 0.00 H new ATOM 0 HG CYS A 9 10.038 13.806 0.090 1.00 0.00 H new ATOM 144 N ALA A 10 7.133 16.930 1.284 1.00 0.00 N ATOM 145 CA ALA A 10 7.122 17.593 2.589 1.00 0.00 C ATOM 146 C ALA A 10 7.544 16.620 3.702 1.00 0.00 C ATOM 147 O ALA A 10 7.383 16.918 4.886 1.00 0.00 O ATOM 148 CB ALA A 10 5.728 18.155 2.878 1.00 0.00 C ATOM 0 H ALA A 10 6.646 16.034 1.266 1.00 0.00 H new ATOM 0 HA ALA A 10 7.840 18.413 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.728 18.647 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.460 18.877 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.002 17.342 2.883 1.00 0.00 H new ATOM 154 N TYR A 11 8.153 15.488 3.317 1.00 0.00 N ATOM 155 CA TYR A 11 8.783 14.609 4.287 1.00 0.00 C ATOM 156 C TYR A 11 10.078 15.264 4.809 1.00 0.00 C ATOM 157 O TYR A 11 10.994 15.518 4.035 1.00 0.00 O ATOM 158 CB TYR A 11 9.105 13.252 3.649 1.00 0.00 C ATOM 159 CG TYR A 11 9.726 12.341 4.689 1.00 0.00 C ATOM 160 CD1 TYR A 11 8.906 11.738 5.660 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.126 12.283 4.819 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.485 11.164 6.805 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.709 11.676 5.942 1.00 0.00 C ATOM 164 CZ TYR A 11 10.889 11.160 6.964 1.00 0.00 C ATOM 165 OH TYR A 11 11.452 10.706 8.116 1.00 0.00 O ATOM 0 H TYR A 11 8.217 15.171 2.350 1.00 0.00 H new ATOM 0 HA TYR A 11 8.096 14.447 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.197 12.801 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.789 13.385 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.835 11.716 5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.755 12.708 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.855 10.725 7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.784 11.605 6.022 1.00 0.00 H new ATOM 0 HH TYR A 11 12.428 10.774 8.052 1.00 0.00 H new ATOM 175 N PRO A 12 10.150 15.592 6.125 1.00 0.00 N ATOM 176 CA PRO A 12 11.315 16.271 6.700 1.00 0.00 C ATOM 177 C PRO A 12 12.586 15.437 6.535 1.00 0.00 C ATOM 178 O PRO A 12 12.833 14.507 7.303 1.00 0.00 O ATOM 179 CB PRO A 12 10.950 16.451 8.185 1.00 0.00 C ATOM 180 CG PRO A 12 9.885 15.393 8.465 1.00 0.00 C ATOM 181 CD PRO A 12 9.144 15.286 7.135 1.00 0.00 C ATOM 0 HA PRO A 12 11.528 17.219 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.822 16.312 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.570 17.454 8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.329 14.441 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.220 15.695 9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.730 14.288 6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.310 15.987 7.089 1.00 0.00 H new ATOM 189 N GLY A 13 13.349 15.725 5.471 1.00 0.00 N ATOM 190 CA GLY A 13 14.457 14.872 5.059 1.00 0.00 C ATOM 191 C GLY A 13 14.620 14.941 3.517 1.00 0.00 C ATOM 192 O GLY A 13 15.718 14.788 2.988 1.00 0.00 O ATOM 0 H GLY A 13 13.213 16.547 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.377 15.193 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.273 13.844 5.370 1.00 0.00 H new ATOM 196 N CYS A 14 13.503 15.296 2.840 1.00 0.00 N ATOM 197 CA CYS A 14 13.467 15.633 1.411 1.00 0.00 C ATOM 198 C CYS A 14 12.615 16.927 1.203 1.00 0.00 C ATOM 199 O CYS A 14 12.063 17.472 2.162 1.00 0.00 O ATOM 200 CB CYS A 14 12.847 14.464 0.629 1.00 0.00 C ATOM 201 SG CYS A 14 12.605 14.664 -1.169 1.00 0.00 S ATOM 0 H CYS A 14 12.588 15.355 3.287 1.00 0.00 H new ATOM 0 HA CYS A 14 14.479 15.811 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.476 13.588 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.877 14.243 1.073 1.00 0.00 H new ATOM 0 HG CYS A 14 11.622 13.909 -1.561 1.00 0.00 H new ATOM 206 N ASN A 15 12.504 17.386 -0.054 1.00 0.00 N ATOM 207 CA ASN A 15 11.617 18.528 -0.397 1.00 0.00 C ATOM 208 C ASN A 15 11.543 18.741 -1.936 1.00 0.00 C ATOM 209 O ASN A 15 11.453 19.878 -2.412 1.00 0.00 O ATOM 210 CB ASN A 15 12.129 19.827 0.283 1.00 0.00 C ATOM 211 CG ASN A 15 11.177 21.015 0.151 1.00 0.00 C ATOM 212 OD1 ASN A 15 11.594 22.133 -0.118 1.00 0.00 O ATOM 213 ND2 ASN A 15 9.877 20.847 0.302 1.00 0.00 N ATOM 0 H ASN A 15 13.009 16.993 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 15 10.617 18.295 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.300 19.628 1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.092 20.096 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.244 21.640 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.505 19.924 0.527 1.00 0.00 H new ATOM 220 N LYS A 16 11.662 17.651 -2.705 1.00 0.00 N ATOM 221 CA LYS A 16 11.795 17.746 -4.158 1.00 0.00 C ATOM 222 C LYS A 16 10.496 18.142 -4.790 1.00 0.00 C ATOM 223 O LYS A 16 9.429 17.822 -4.281 1.00 0.00 O ATOM 224 CB LYS A 16 12.252 16.389 -4.725 1.00 0.00 C ATOM 225 CG LYS A 16 13.692 16.037 -4.317 1.00 0.00 C ATOM 226 CD LYS A 16 13.951 14.532 -4.490 1.00 0.00 C ATOM 227 CE LYS A 16 15.315 14.094 -3.943 1.00 0.00 C ATOM 228 NZ LYS A 16 15.430 14.342 -2.490 1.00 0.00 N ATOM 0 H LYS A 16 11.669 16.697 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 16 12.537 18.511 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.577 15.607 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.180 16.410 -5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.397 16.605 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.862 16.324 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.165 13.973 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.891 14.277 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.463 13.033 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.106 14.631 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.023 13.605 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.864 15.274 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.484 14.322 -2.058 1.00 0.00 H new ATOM 242 N ARG A 17 10.580 18.844 -5.920 1.00 0.00 N ATOM 243 CA ARG A 17 9.404 19.374 -6.568 1.00 0.00 C ATOM 244 C ARG A 17 8.971 18.480 -7.733 1.00 0.00 C ATOM 245 O ARG A 17 9.758 18.168 -8.625 1.00 0.00 O ATOM 246 CB ARG A 17 9.682 20.805 -7.077 1.00 0.00 C ATOM 247 CG ARG A 17 9.857 21.815 -5.924 1.00 0.00 C ATOM 248 CD ARG A 17 11.282 21.910 -5.347 1.00 0.00 C ATOM 249 NE ARG A 17 11.288 22.391 -3.954 1.00 0.00 N ATOM 250 CZ ARG A 17 11.247 23.651 -3.533 1.00 0.00 C ATOM 251 NH1 ARG A 17 11.140 24.665 -4.366 1.00 0.00 N ATOM 252 NH2 ARG A 17 11.314 23.931 -2.252 1.00 0.00 N ATOM 0 H ARG A 17 11.456 19.053 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 17 8.595 19.402 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.582 20.801 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.860 21.126 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.559 22.802 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.173 21.545 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.757 20.930 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.878 22.582 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 17 11.328 21.674 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.086 24.496 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.111 25.619 -4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.398 23.178 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.282 24.901 -1.940 1.00 0.00 H new ATOM 266 N TYR A 18 7.704 18.093 -7.703 1.00 0.00 N ATOM 267 CA TYR A 18 7.094 17.241 -8.690 1.00 0.00 C ATOM 268 C TYR A 18 6.053 18.025 -9.508 1.00 0.00 C ATOM 269 O TYR A 18 5.683 19.152 -9.155 1.00 0.00 O ATOM 270 CB TYR A 18 6.409 16.078 -7.965 1.00 0.00 C ATOM 271 CG TYR A 18 7.384 15.151 -7.274 1.00 0.00 C ATOM 272 CD1 TYR A 18 7.952 15.515 -6.038 1.00 0.00 C ATOM 273 CD2 TYR A 18 7.793 13.972 -7.912 1.00 0.00 C ATOM 274 CE1 TYR A 18 8.996 14.751 -5.490 1.00 0.00 C ATOM 275 CE2 TYR A 18 8.881 13.244 -7.403 1.00 0.00 C ATOM 276 CZ TYR A 18 9.519 13.663 -6.217 1.00 0.00 C ATOM 277 OH TYR A 18 10.636 13.029 -5.772 1.00 0.00 O ATOM 0 H TYR A 18 7.060 18.377 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 18 7.857 16.868 -9.374 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.712 16.477 -7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.821 15.507 -8.683 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.585 16.383 -5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.273 13.624 -8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.395 14.996 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.229 12.362 -7.920 1.00 0.00 H new ATOM 0 HH TYR A 18 10.865 12.300 -6.386 1.00 0.00 H new ATOM 287 N PHE A 19 5.564 17.409 -10.588 1.00 0.00 N ATOM 288 CA PHE A 19 4.612 18.063 -11.488 1.00 0.00 C ATOM 289 C PHE A 19 3.263 17.318 -11.516 1.00 0.00 C ATOM 290 O PHE A 19 2.221 17.929 -11.737 1.00 0.00 O ATOM 291 CB PHE A 19 5.197 18.119 -12.901 1.00 0.00 C ATOM 292 CG PHE A 19 6.511 18.879 -12.978 1.00 0.00 C ATOM 293 CD1 PHE A 19 6.507 20.277 -13.146 1.00 0.00 C ATOM 294 CD2 PHE A 19 7.735 18.196 -12.841 1.00 0.00 C ATOM 295 CE1 PHE A 19 7.721 20.988 -13.179 1.00 0.00 C ATOM 296 CE2 PHE A 19 8.948 18.908 -12.867 1.00 0.00 C ATOM 297 CZ PHE A 19 8.941 20.303 -13.038 1.00 0.00 C ATOM 0 H PHE A 19 5.812 16.458 -10.860 1.00 0.00 H new ATOM 0 HA PHE A 19 4.434 19.073 -11.119 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.351 17.103 -13.263 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.474 18.589 -13.568 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.570 20.805 -13.250 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.742 17.123 -12.716 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.716 22.060 -13.313 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.885 18.382 -12.756 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.873 20.849 -13.061 1.00 0.00 H new ATOM 307 N LYS A 20 3.295 15.994 -11.284 1.00 0.00 N ATOM 308 CA LYS A 20 2.073 15.174 -11.249 1.00 0.00 C ATOM 309 C LYS A 20 1.736 14.772 -9.811 1.00 0.00 C ATOM 310 O LYS A 20 2.589 14.280 -9.083 1.00 0.00 O ATOM 311 CB LYS A 20 2.268 13.907 -12.110 1.00 0.00 C ATOM 312 CG LYS A 20 2.082 14.149 -13.617 1.00 0.00 C ATOM 313 CD LYS A 20 0.642 14.524 -13.991 1.00 0.00 C ATOM 314 CE LYS A 20 0.432 14.482 -15.506 1.00 0.00 C ATOM 315 NZ LYS A 20 -0.923 14.950 -15.858 1.00 0.00 N ATOM 0 H LYS A 20 4.154 15.470 -11.118 1.00 0.00 H new ATOM 0 HA LYS A 20 1.248 15.763 -11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.268 13.510 -11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.561 13.144 -11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.754 14.946 -13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.371 13.250 -14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.052 13.838 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.415 15.523 -13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.177 15.106 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.577 13.465 -15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.046 14.914 -16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.631 14.338 -15.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.049 15.928 -15.529 1.00 0.00 H new ATOM 329 N LEU A 21 0.467 14.913 -9.435 1.00 0.00 N ATOM 330 CA LEU A 21 0.008 14.518 -8.102 1.00 0.00 C ATOM 331 C LEU A 21 0.342 13.040 -7.830 1.00 0.00 C ATOM 332 O LEU A 21 0.940 12.711 -6.817 1.00 0.00 O ATOM 333 CB LEU A 21 -1.512 14.744 -7.985 1.00 0.00 C ATOM 334 CG LEU A 21 -2.151 14.216 -6.682 1.00 0.00 C ATOM 335 CD1 LEU A 21 -1.536 14.809 -5.410 1.00 0.00 C ATOM 336 CD2 LEU A 21 -3.649 14.527 -6.686 1.00 0.00 C ATOM 0 H LEU A 21 -0.264 15.298 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 21 0.522 15.130 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.713 15.813 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.002 14.265 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.962 13.143 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.035 14.392 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.474 14.566 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.660 15.892 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.100 14.154 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.797 15.605 -6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.119 14.043 -7.543 1.00 0.00 H new ATOM 348 N SER A 22 -0.045 12.167 -8.760 1.00 0.00 N ATOM 349 CA SER A 22 0.147 10.716 -8.613 1.00 0.00 C ATOM 350 C SER A 22 1.627 10.323 -8.661 1.00 0.00 C ATOM 351 O SER A 22 2.051 9.412 -7.962 1.00 0.00 O ATOM 352 CB SER A 22 -0.608 9.982 -9.719 1.00 0.00 C ATOM 353 OG SER A 22 -0.277 10.511 -10.992 1.00 0.00 O ATOM 0 H SER A 22 -0.498 12.439 -9.633 1.00 0.00 H new ATOM 0 HA SER A 22 -0.243 10.431 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.366 8.920 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.682 10.069 -9.552 1.00 0.00 H new ATOM 0 HG SER A 22 -0.770 10.026 -11.686 1.00 0.00 H new ATOM 359 N HIS A 23 2.407 11.022 -9.486 1.00 0.00 N ATOM 360 CA HIS A 23 3.839 10.720 -9.602 1.00 0.00 C ATOM 361 C HIS A 23 4.594 11.210 -8.339 1.00 0.00 C ATOM 362 O HIS A 23 5.520 10.546 -7.856 1.00 0.00 O ATOM 363 CB HIS A 23 4.417 11.354 -10.900 1.00 0.00 C ATOM 364 CG HIS A 23 5.411 12.494 -11.001 1.00 0.00 C ATOM 365 ND1 HIS A 23 6.367 12.584 -11.989 1.00 0.00 N ATOM 366 CD2 HIS A 23 5.358 13.718 -10.404 1.00 0.00 C ATOM 367 CE1 HIS A 23 6.866 13.832 -11.981 1.00 0.00 C ATOM 368 NE2 HIS A 23 6.262 14.571 -11.043 1.00 0.00 N ATOM 0 H HIS A 23 2.082 11.788 -10.075 1.00 0.00 H new ATOM 0 HA HIS A 23 3.975 9.641 -9.671 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.870 10.527 -11.447 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.549 11.678 -11.474 1.00 0.00 H new ATOM 0 HD1 HIS A 23 6.648 11.832 -12.619 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.722 13.985 -9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.645 14.188 -12.639 1.00 0.00 H new ATOM 376 N LEU A 24 4.066 12.270 -7.720 1.00 0.00 N ATOM 377 CA LEU A 24 4.530 12.695 -6.408 1.00 0.00 C ATOM 378 C LEU A 24 4.035 11.722 -5.301 1.00 0.00 C ATOM 379 O LEU A 24 4.786 11.369 -4.399 1.00 0.00 O ATOM 380 CB LEU A 24 4.056 14.122 -6.119 1.00 0.00 C ATOM 381 CG LEU A 24 4.521 14.808 -4.806 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.371 14.884 -3.799 1.00 0.00 C ATOM 383 CD2 LEU A 24 5.743 14.222 -4.080 1.00 0.00 C ATOM 0 H LEU A 24 3.319 12.845 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 24 5.620 12.679 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.373 14.751 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.966 14.116 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 24 4.844 15.785 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.718 15.368 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.551 15.461 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.024 13.877 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.947 14.805 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.540 13.188 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.610 14.257 -4.740 1.00 0.00 H new ATOM 395 N GLN A 25 2.785 11.262 -5.416 1.00 0.00 N ATOM 396 CA GLN A 25 2.240 10.266 -4.482 1.00 0.00 C ATOM 397 C GLN A 25 3.073 8.975 -4.522 1.00 0.00 C ATOM 398 O GLN A 25 3.392 8.405 -3.475 1.00 0.00 O ATOM 399 CB GLN A 25 0.775 9.955 -4.830 1.00 0.00 C ATOM 400 CG GLN A 25 -0.146 11.049 -4.259 1.00 0.00 C ATOM 401 CD GLN A 25 -1.595 10.937 -4.726 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.910 10.472 -5.811 1.00 0.00 O ATOM 403 NE2 GLN A 25 -2.540 11.389 -3.924 1.00 0.00 N ATOM 0 H GLN A 25 2.133 11.560 -6.142 1.00 0.00 H new ATOM 0 HA GLN A 25 2.286 10.680 -3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.655 9.895 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.494 8.983 -4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.120 11.002 -3.170 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.244 12.026 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.293 11.780 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.517 11.347 -4.213 1.00 0.00 H new ATOM 412 N MET A 26 3.506 8.573 -5.730 1.00 0.00 N ATOM 413 CA MET A 26 4.447 7.462 -5.882 1.00 0.00 C ATOM 414 C MET A 26 5.761 7.765 -5.147 1.00 0.00 C ATOM 415 O MET A 26 6.227 6.952 -4.346 1.00 0.00 O ATOM 416 CB MET A 26 4.734 7.195 -7.373 1.00 0.00 C ATOM 417 CG MET A 26 3.596 6.538 -8.169 1.00 0.00 C ATOM 418 SD MET A 26 2.765 5.122 -7.397 1.00 0.00 S ATOM 419 CE MET A 26 1.154 5.870 -7.013 1.00 0.00 C ATOM 0 H MET A 26 3.217 9.003 -6.609 1.00 0.00 H new ATOM 0 HA MET A 26 3.994 6.572 -5.445 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.985 8.142 -7.850 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.616 6.559 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.845 7.300 -8.378 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.997 6.214 -9.129 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.515 5.130 -6.531 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.297 6.718 -6.343 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.682 6.211 -7.935 1.00 0.00 H new ATOM 429 N HIS A 27 6.296 8.993 -5.328 1.00 0.00 N ATOM 430 CA HIS A 27 7.531 9.402 -4.630 1.00 0.00 C ATOM 431 C HIS A 27 7.347 9.295 -3.105 1.00 0.00 C ATOM 432 O HIS A 27 8.213 8.757 -2.410 1.00 0.00 O ATOM 433 CB HIS A 27 7.915 10.852 -5.004 1.00 0.00 C ATOM 434 CG HIS A 27 8.936 11.398 -4.028 1.00 0.00 C ATOM 435 ND1 HIS A 27 10.181 10.858 -3.761 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.733 12.418 -3.138 1.00 0.00 C ATOM 437 CE1 HIS A 27 10.708 11.538 -2.726 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.874 12.512 -2.348 1.00 0.00 N ATOM 0 H HIS A 27 5.899 9.706 -5.941 1.00 0.00 H new ATOM 0 HA HIS A 27 8.332 8.732 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.320 10.878 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.026 11.483 -5.000 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.621 10.084 -4.259 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.850 13.036 -3.063 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.663 11.328 -2.268 1.00 0.00 H new ATOM 446 N SER A 28 6.163 9.688 -2.609 1.00 0.00 N ATOM 447 CA SER A 28 5.876 9.655 -1.175 1.00 0.00 C ATOM 448 C SER A 28 6.017 8.241 -0.615 1.00 0.00 C ATOM 449 O SER A 28 6.439 8.065 0.524 1.00 0.00 O ATOM 450 CB SER A 28 4.456 10.185 -0.905 1.00 0.00 C ATOM 451 OG SER A 28 3.424 9.236 -1.104 1.00 0.00 O ATOM 0 H SER A 28 5.393 10.031 -3.183 1.00 0.00 H new ATOM 0 HA SER A 28 6.602 10.295 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.406 10.546 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.273 11.042 -1.553 1.00 0.00 H new ATOM 0 HG SER A 28 3.594 8.736 -1.930 1.00 0.00 H new ATOM 457 N ARG A 29 5.670 7.222 -1.425 1.00 0.00 N ATOM 458 CA ARG A 29 5.759 5.825 -0.982 1.00 0.00 C ATOM 459 C ARG A 29 7.181 5.502 -0.501 1.00 0.00 C ATOM 460 O ARG A 29 7.356 4.835 0.523 1.00 0.00 O ATOM 461 CB ARG A 29 5.369 4.879 -2.130 1.00 0.00 C ATOM 462 CG ARG A 29 5.198 3.431 -1.631 1.00 0.00 C ATOM 463 CD ARG A 29 4.676 2.497 -2.729 1.00 0.00 C ATOM 464 NE ARG A 29 3.309 2.867 -3.130 1.00 0.00 N ATOM 465 CZ ARG A 29 2.788 2.806 -4.348 1.00 0.00 C ATOM 466 NH1 ARG A 29 3.402 2.254 -5.369 1.00 0.00 N ATOM 467 NH2 ARG A 29 1.598 3.313 -4.565 1.00 0.00 N ATOM 0 H ARG A 29 5.329 7.342 -2.379 1.00 0.00 H new ATOM 0 HA ARG A 29 5.068 5.683 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.440 5.221 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.134 4.910 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.155 3.059 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.508 3.418 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.337 2.542 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.688 1.467 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 29 2.695 3.208 -2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.328 1.844 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.953 2.235 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.082 3.749 -3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.188 3.271 -5.498 1.00 0.00 H new ATOM 481 N LYS A 30 8.195 6.051 -1.200 1.00 0.00 N ATOM 482 CA LYS A 30 9.613 5.858 -0.814 1.00 0.00 C ATOM 483 C LYS A 30 9.881 6.374 0.618 1.00 0.00 C ATOM 484 O LYS A 30 10.763 5.869 1.306 1.00 0.00 O ATOM 485 CB LYS A 30 10.534 6.598 -1.807 1.00 0.00 C ATOM 486 CG LYS A 30 10.332 6.235 -3.292 1.00 0.00 C ATOM 487 CD LYS A 30 10.566 4.755 -3.634 1.00 0.00 C ATOM 488 CE LYS A 30 12.014 4.327 -3.372 1.00 0.00 C ATOM 489 NZ LYS A 30 12.228 2.911 -3.735 1.00 0.00 N ATOM 0 H LYS A 30 8.063 6.629 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 30 9.824 4.789 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.381 7.671 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.570 6.392 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.316 6.504 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.007 6.843 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.892 4.135 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.321 4.582 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.692 4.959 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.255 4.475 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.217 2.650 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.597 2.308 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.021 2.776 -4.745 1.00 0.00 H new ATOM 503 N HIS A 31 9.099 7.370 1.055 1.00 0.00 N ATOM 504 CA HIS A 31 9.257 7.965 2.387 1.00 0.00 C ATOM 505 C HIS A 31 8.409 7.236 3.441 1.00 0.00 C ATOM 506 O HIS A 31 8.679 7.353 4.622 1.00 0.00 O ATOM 507 CB HIS A 31 8.872 9.450 2.364 1.00 0.00 C ATOM 508 CG HIS A 31 9.962 10.331 1.810 1.00 0.00 C ATOM 509 ND1 HIS A 31 11.237 10.422 2.326 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.845 11.276 0.824 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.861 11.420 1.681 1.00 0.00 C ATOM 512 NE2 HIS A 31 11.066 11.949 0.747 1.00 0.00 N ATOM 0 H HIS A 31 8.347 7.782 0.502 1.00 0.00 H new ATOM 0 HA HIS A 31 10.307 7.863 2.660 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.970 9.577 1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.630 9.773 3.377 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.633 9.838 3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.971 11.465 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.868 11.750 1.889 1.00 0.00 H new ATOM 520 N THR A 32 7.365 6.500 3.018 1.00 0.00 N ATOM 521 CA THR A 32 6.497 5.790 3.995 1.00 0.00 C ATOM 522 C THR A 32 7.311 4.763 4.807 1.00 0.00 C ATOM 523 O THR A 32 6.962 4.444 5.940 1.00 0.00 O ATOM 524 CB THR A 32 5.342 5.053 3.291 1.00 0.00 C ATOM 525 OG1 THR A 32 5.779 4.063 2.383 1.00 0.00 O ATOM 526 CG2 THR A 32 4.359 5.997 2.601 1.00 0.00 C ATOM 0 H THR A 32 7.101 6.378 2.040 1.00 0.00 H new ATOM 0 HA THR A 32 6.086 6.548 4.662 1.00 0.00 H new ATOM 0 HB THR A 32 4.814 4.550 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.411 4.459 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.570 5.416 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.920 6.668 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.885 6.582 1.846 1.00 0.00 H new ATOM 592 N TYR A 37 7.271 -0.539 10.987 1.00 0.00 N ATOM 593 CA TYR A 37 6.784 -1.143 12.230 1.00 0.00 C ATOM 594 C TYR A 37 7.462 -2.495 12.476 1.00 0.00 C ATOM 595 O TYR A 37 8.005 -3.097 11.557 1.00 0.00 O ATOM 596 CB TYR A 37 5.265 -1.344 12.156 1.00 0.00 C ATOM 597 CG TYR A 37 4.412 -0.140 11.811 1.00 0.00 C ATOM 598 CD1 TYR A 37 3.958 0.701 12.845 1.00 0.00 C ATOM 599 CD2 TYR A 37 3.995 0.083 10.483 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.064 1.749 12.564 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.109 1.138 10.196 1.00 0.00 C ATOM 602 CZ TYR A 37 2.625 1.955 11.240 1.00 0.00 C ATOM 603 OH TYR A 37 1.711 2.922 10.974 1.00 0.00 O ATOM 0 HA TYR A 37 7.025 -0.471 13.053 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.065 -2.120 11.417 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.930 -1.728 13.120 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.298 0.540 13.858 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.354 -0.554 9.688 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.715 2.393 13.358 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.800 1.322 9.178 1.00 0.00 H new ATOM 0 HH TYR A 37 1.517 2.933 10.013 1.00 0.00 H new ATOM 613 N GLN A 38 7.370 -2.990 13.715 1.00 0.00 N ATOM 614 CA GLN A 38 7.793 -4.361 14.046 1.00 0.00 C ATOM 615 C GLN A 38 6.721 -5.062 14.883 1.00 0.00 C ATOM 616 O GLN A 38 5.955 -4.410 15.597 1.00 0.00 O ATOM 617 CB GLN A 38 9.123 -4.329 14.814 1.00 0.00 C ATOM 618 CG GLN A 38 9.104 -3.558 16.146 1.00 0.00 C ATOM 619 CD GLN A 38 10.503 -3.107 16.556 1.00 0.00 C ATOM 620 OE1 GLN A 38 10.844 -1.932 16.500 1.00 0.00 O ATOM 621 NE2 GLN A 38 11.401 -4.012 16.884 1.00 0.00 N ATOM 0 H GLN A 38 7.006 -2.463 14.509 1.00 0.00 H new ATOM 0 HA GLN A 38 7.931 -4.918 13.119 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.431 -5.355 15.013 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.883 -3.887 14.170 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.453 -2.688 16.054 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.682 -4.191 16.927 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.138 -4.996 16.936 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.360 -3.729 17.086 1.00 0.00 H new ATOM 630 N CYS A 39 6.699 -6.396 14.816 1.00 0.00 N ATOM 631 CA CYS A 39 5.830 -7.203 15.685 1.00 0.00 C ATOM 632 C CYS A 39 6.228 -7.022 17.172 1.00 0.00 C ATOM 633 O CYS A 39 7.334 -6.566 17.481 1.00 0.00 O ATOM 634 CB CYS A 39 5.922 -8.688 15.297 1.00 0.00 C ATOM 635 SG CYS A 39 4.550 -9.609 16.063 1.00 0.00 S ATOM 0 H CYS A 39 7.271 -6.942 14.171 1.00 0.00 H new ATOM 0 HA CYS A 39 4.803 -6.863 15.554 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.883 -8.794 14.213 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.877 -9.101 15.623 1.00 0.00 H new ATOM 0 HG CYS A 39 4.924 -10.833 16.292 1.00 0.00 H new ATOM 731 N ARG A 46 9.569 -9.576 13.320 1.00 0.00 N ATOM 732 CA ARG A 46 9.353 -9.230 11.911 1.00 0.00 C ATOM 733 C ARG A 46 8.934 -7.776 11.785 1.00 0.00 C ATOM 734 O ARG A 46 8.272 -7.234 12.669 1.00 0.00 O ATOM 735 CB ARG A 46 8.265 -10.139 11.298 1.00 0.00 C ATOM 736 CG ARG A 46 8.820 -11.330 10.494 1.00 0.00 C ATOM 737 CD ARG A 46 9.661 -12.337 11.287 1.00 0.00 C ATOM 738 NE ARG A 46 8.876 -12.969 12.354 1.00 0.00 N ATOM 739 CZ ARG A 46 8.852 -14.232 12.757 1.00 0.00 C ATOM 740 NH1 ARG A 46 9.519 -15.190 12.150 1.00 0.00 N ATOM 741 NH2 ARG A 46 8.142 -14.542 13.813 1.00 0.00 N ATOM 0 HA ARG A 46 10.288 -9.380 11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.631 -10.519 12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.630 -9.539 10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.982 -11.861 10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.428 -10.941 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.045 -13.103 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.524 -11.831 11.719 1.00 0.00 H new ATOM 0 HE ARG A 46 8.254 -12.341 12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.087 -14.976 11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.468 -16.147 12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.621 -13.818 14.308 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.110 -15.508 14.140 1.00 0.00 H new ATOM 755 N ARG A 47 9.299 -7.150 10.662 1.00 0.00 N ATOM 756 CA ARG A 47 8.968 -5.747 10.414 1.00 0.00 C ATOM 757 C ARG A 47 8.073 -5.609 9.187 1.00 0.00 C ATOM 758 O ARG A 47 8.142 -6.415 8.261 1.00 0.00 O ATOM 759 CB ARG A 47 10.257 -4.928 10.207 1.00 0.00 C ATOM 760 CG ARG A 47 11.223 -4.977 11.402 1.00 0.00 C ATOM 761 CD ARG A 47 12.169 -3.766 11.399 1.00 0.00 C ATOM 762 NE ARG A 47 11.516 -2.562 11.951 1.00 0.00 N ATOM 763 CZ ARG A 47 11.606 -2.123 13.204 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.391 -2.680 14.096 1.00 0.00 N ATOM 765 NH2 ARG A 47 10.868 -1.127 13.632 1.00 0.00 N ATOM 0 H ARG A 47 9.825 -7.595 9.910 1.00 0.00 H new ATOM 0 HA ARG A 47 8.431 -5.366 11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.772 -5.297 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.989 -3.890 10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.655 -4.996 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.806 -5.898 11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.059 -3.998 11.984 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.500 -3.566 10.380 1.00 0.00 H new ATOM 0 HE ARG A 47 10.941 -2.015 11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.965 -3.484 13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.428 -2.309 15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.209 -0.673 13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.953 -0.807 14.597 1.00 0.00 H new ATOM 779 N PHE A 48 7.262 -4.550 9.178 1.00 0.00 N ATOM 780 CA PHE A 48 6.345 -4.273 8.069 1.00 0.00 C ATOM 781 C PHE A 48 6.337 -2.781 7.746 1.00 0.00 C ATOM 782 O PHE A 48 6.330 -1.943 8.645 1.00 0.00 O ATOM 783 CB PHE A 48 4.925 -4.725 8.444 1.00 0.00 C ATOM 784 CG PHE A 48 4.862 -6.177 8.878 1.00 0.00 C ATOM 785 CD1 PHE A 48 4.660 -7.185 7.918 1.00 0.00 C ATOM 786 CD2 PHE A 48 5.137 -6.528 10.216 1.00 0.00 C ATOM 787 CE1 PHE A 48 4.790 -8.533 8.288 1.00 0.00 C ATOM 788 CE2 PHE A 48 5.274 -7.877 10.585 1.00 0.00 C ATOM 789 CZ PHE A 48 5.141 -8.873 9.604 1.00 0.00 C ATOM 0 H PHE A 48 7.221 -3.865 9.932 1.00 0.00 H new ATOM 0 HA PHE A 48 6.683 -4.823 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.549 -4.094 9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.265 -4.578 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.406 -6.923 6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.243 -5.755 10.962 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.619 -9.311 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.479 -8.145 11.611 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.310 -9.908 9.864 1.00 0.00 H new ATOM 799 N SER A 49 6.310 -2.452 6.452 1.00 0.00 N ATOM 800 CA SER A 49 6.329 -1.049 6.010 1.00 0.00 C ATOM 801 C SER A 49 4.903 -0.472 5.909 1.00 0.00 C ATOM 802 O SER A 49 4.725 0.673 5.491 1.00 0.00 O ATOM 803 CB SER A 49 7.021 -0.940 4.647 1.00 0.00 C ATOM 804 OG SER A 49 7.119 0.424 4.293 1.00 0.00 O ATOM 0 H SER A 49 6.275 -3.132 5.693 1.00 0.00 H new ATOM 0 HA SER A 49 6.881 -0.472 6.752 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.013 -1.391 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.455 -1.486 3.892 1.00 0.00 H new ATOM 0 HG SER A 49 6.378 0.921 4.699 1.00 0.00 H new ATOM 810 N ARG A 50 3.894 -1.272 6.299 1.00 0.00 N ATOM 811 CA ARG A 50 2.505 -0.816 6.311 1.00 0.00 C ATOM 812 C ARG A 50 1.768 -1.362 7.538 1.00 0.00 C ATOM 813 O ARG A 50 1.940 -2.527 7.924 1.00 0.00 O ATOM 814 CB ARG A 50 1.791 -1.262 5.018 1.00 0.00 C ATOM 815 CG ARG A 50 0.646 -0.304 4.628 1.00 0.00 C ATOM 816 CD ARG A 50 0.332 -0.326 3.123 1.00 0.00 C ATOM 817 NE ARG A 50 -0.127 -1.643 2.636 1.00 0.00 N ATOM 818 CZ ARG A 50 0.048 -2.145 1.416 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.757 -1.515 0.516 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.419 -3.328 1.117 1.00 0.00 N ATOM 0 H ARG A 50 4.021 -2.236 6.609 1.00 0.00 H new ATOM 0 HA ARG A 50 2.498 0.273 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.514 -1.313 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.392 -2.267 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.251 -0.573 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.912 0.711 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.434 0.419 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.224 -0.034 2.569 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.630 -2.228 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.190 -0.620 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.878 -1.919 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.920 -3.871 1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.282 -3.708 0.181 1.00 0.00 H new ATOM 834 N SER A 51 0.963 -0.504 8.158 1.00 0.00 N ATOM 835 CA SER A 51 0.257 -0.842 9.393 1.00 0.00 C ATOM 836 C SER A 51 -0.666 -2.043 9.192 1.00 0.00 C ATOM 837 O SER A 51 -0.717 -2.930 10.030 1.00 0.00 O ATOM 838 CB SER A 51 -0.566 0.357 9.856 1.00 0.00 C ATOM 839 OG SER A 51 -1.245 0.876 8.729 1.00 0.00 O ATOM 0 H SER A 51 0.781 0.442 7.821 1.00 0.00 H new ATOM 0 HA SER A 51 0.999 -1.101 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.277 0.058 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.080 1.117 10.296 1.00 0.00 H new ATOM 0 HG SER A 51 -1.784 1.648 8.999 1.00 0.00 H new ATOM 845 N ASP A 52 -1.415 -2.050 8.083 1.00 0.00 N ATOM 846 CA ASP A 52 -2.378 -3.124 7.811 1.00 0.00 C ATOM 847 C ASP A 52 -1.658 -4.475 7.613 1.00 0.00 C ATOM 848 O ASP A 52 -2.155 -5.513 8.043 1.00 0.00 O ATOM 849 CB ASP A 52 -3.225 -2.780 6.570 1.00 0.00 C ATOM 850 CG ASP A 52 -2.695 -3.189 5.193 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.630 -2.660 4.809 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.377 -3.992 4.516 1.00 0.00 O ATOM 0 H ASP A 52 -1.374 -1.329 7.363 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.038 -3.216 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.205 -3.239 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.377 -1.701 6.560 1.00 0.00 H new ATOM 857 N GLN A 53 -0.448 -4.435 7.027 1.00 0.00 N ATOM 858 CA GLN A 53 0.385 -5.636 6.889 1.00 0.00 C ATOM 859 C GLN A 53 0.807 -6.163 8.270 1.00 0.00 C ATOM 860 O GLN A 53 0.663 -7.351 8.555 1.00 0.00 O ATOM 861 CB GLN A 53 1.634 -5.323 6.047 1.00 0.00 C ATOM 862 CG GLN A 53 1.301 -5.064 4.566 1.00 0.00 C ATOM 863 CD GLN A 53 2.486 -4.497 3.781 1.00 0.00 C ATOM 864 OE1 GLN A 53 2.273 -4.088 2.545 1.00 0.00 O flip ATOM 865 NE2 GLN A 53 3.607 -4.391 4.258 1.00 0.00 N flip ATOM 0 H GLN A 53 -0.030 -3.587 6.644 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.202 -6.404 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.137 -4.449 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.333 -6.156 6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.977 -5.996 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.464 -4.369 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.787 -4.703 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.362 -3.991 3.702 1.00 0.00 H new ATOM 874 N LEU A 54 1.265 -5.253 9.153 1.00 0.00 N ATOM 875 CA LEU A 54 1.599 -5.623 10.543 1.00 0.00 C ATOM 876 C LEU A 54 0.353 -6.155 11.282 1.00 0.00 C ATOM 877 O LEU A 54 0.421 -7.175 11.948 1.00 0.00 O ATOM 878 CB LEU A 54 2.173 -4.404 11.300 1.00 0.00 C ATOM 879 CG LEU A 54 2.319 -4.625 12.826 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.197 -5.820 13.214 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.957 -3.411 13.492 1.00 0.00 C ATOM 0 H LEU A 54 1.411 -4.268 8.932 1.00 0.00 H new ATOM 0 HA LEU A 54 2.351 -6.412 10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.149 -4.157 10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.526 -3.544 11.128 1.00 0.00 H new ATOM 0 HG LEU A 54 1.298 -4.806 13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.244 -5.900 14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.771 -6.734 12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.202 -5.677 12.817 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.049 -3.590 14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.946 -3.240 13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.333 -2.533 13.323 1.00 0.00 H new ATOM 893 N LYS A 55 -0.780 -5.444 11.160 1.00 0.00 N ATOM 894 CA LYS A 55 -2.041 -5.864 11.805 1.00 0.00 C ATOM 895 C LYS A 55 -2.448 -7.267 11.341 1.00 0.00 C ATOM 896 O LYS A 55 -2.838 -8.105 12.151 1.00 0.00 O ATOM 897 CB LYS A 55 -3.162 -4.864 11.474 1.00 0.00 C ATOM 898 CG LYS A 55 -3.074 -3.550 12.267 1.00 0.00 C ATOM 899 CD LYS A 55 -4.134 -2.558 11.766 1.00 0.00 C ATOM 900 CE LYS A 55 -4.116 -1.258 12.574 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.173 -0.336 12.112 1.00 0.00 N ATOM 0 H LYS A 55 -0.852 -4.579 10.624 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.882 -5.886 12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.131 -4.637 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.125 -5.334 11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.222 -3.747 13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.080 -3.117 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.956 -2.336 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.121 -3.015 11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.258 -1.480 13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.142 -0.779 12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.141 0.538 12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.021 -0.108 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.103 -0.788 12.227 1.00 0.00 H new ATOM 915 N ARG A 56 -2.317 -7.526 10.032 1.00 0.00 N ATOM 916 CA ARG A 56 -2.570 -8.861 9.473 1.00 0.00 C ATOM 917 C ARG A 56 -1.598 -9.888 10.070 1.00 0.00 C ATOM 918 O ARG A 56 -2.013 -10.934 10.551 1.00 0.00 O ATOM 919 CB ARG A 56 -2.418 -8.824 7.945 1.00 0.00 C ATOM 920 CG ARG A 56 -2.856 -10.134 7.274 1.00 0.00 C ATOM 921 CD ARG A 56 -2.492 -10.139 5.788 1.00 0.00 C ATOM 922 NE ARG A 56 -3.141 -9.048 5.043 1.00 0.00 N ATOM 923 CZ ARG A 56 -3.157 -8.916 3.723 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.603 -9.820 2.952 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.740 -7.863 3.192 1.00 0.00 N ATOM 0 H ARG A 56 -2.038 -6.829 9.342 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.588 -9.158 9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.009 -8.000 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.377 -8.621 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.379 -10.978 7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.932 -10.263 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.411 -10.053 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.780 -11.095 5.350 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.620 -8.332 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.153 -10.637 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.622 -9.707 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.172 -7.162 3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.760 -7.748 2.179 1.00 0.00 H new ATOM 939 N HIS A 57 -0.313 -9.539 10.105 1.00 0.00 N ATOM 940 CA HIS A 57 0.720 -10.426 10.638 1.00 0.00 C ATOM 941 C HIS A 57 0.447 -10.754 12.127 1.00 0.00 C ATOM 942 O HIS A 57 0.361 -11.922 12.507 1.00 0.00 O ATOM 943 CB HIS A 57 2.092 -9.756 10.490 1.00 0.00 C ATOM 944 CG HIS A 57 3.148 -10.500 11.246 1.00 0.00 C ATOM 945 ND1 HIS A 57 3.669 -11.738 10.929 1.00 0.00 N ATOM 946 CD2 HIS A 57 3.617 -10.137 12.477 1.00 0.00 C ATOM 947 CE1 HIS A 57 4.407 -12.135 11.979 1.00 0.00 C ATOM 948 NE2 HIS A 57 4.384 -11.196 12.929 1.00 0.00 N ATOM 0 H HIS A 57 0.039 -8.643 9.768 1.00 0.00 H new ATOM 0 HA HIS A 57 0.707 -11.360 10.076 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.363 -9.708 9.435 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.038 -8.729 10.852 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.427 -9.208 12.994 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.939 -13.073 12.045 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.852 -11.251 13.834 1.00 0.00 H new ATOM 956 N GLN A 58 0.158 -9.714 12.911 1.00 0.00 N ATOM 957 CA GLN A 58 -0.280 -9.863 14.304 1.00 0.00 C ATOM 958 C GLN A 58 -1.486 -10.814 14.403 1.00 0.00 C ATOM 959 O GLN A 58 -1.611 -11.572 15.368 1.00 0.00 O ATOM 960 CB GLN A 58 -0.646 -8.491 14.884 1.00 0.00 C ATOM 961 CG GLN A 58 0.606 -7.635 15.157 1.00 0.00 C ATOM 962 CD GLN A 58 0.974 -7.619 16.635 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.256 -7.050 17.444 1.00 0.00 O ATOM 964 NE2 GLN A 58 2.069 -8.224 17.051 1.00 0.00 N ATOM 0 H GLN A 58 0.220 -8.744 12.600 1.00 0.00 H new ATOM 0 HA GLN A 58 0.541 -10.292 14.879 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.302 -7.966 14.190 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.204 -8.625 15.810 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.444 -8.024 14.579 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.429 -6.615 14.816 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.674 -8.701 16.382 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.312 -8.215 18.042 1.00 0.00 H new ATOM 973 N ARG A 59 -2.400 -10.733 13.421 1.00 0.00 N ATOM 974 CA ARG A 59 -3.616 -11.552 13.418 1.00 0.00 C ATOM 975 C ARG A 59 -3.273 -13.052 13.525 1.00 0.00 C ATOM 976 O ARG A 59 -3.995 -13.811 14.163 1.00 0.00 O ATOM 977 CB ARG A 59 -4.416 -11.287 12.132 1.00 0.00 C ATOM 978 CG ARG A 59 -5.926 -11.405 12.331 1.00 0.00 C ATOM 979 CD ARG A 59 -6.697 -10.714 11.197 1.00 0.00 C ATOM 980 NE ARG A 59 -6.486 -9.253 11.197 1.00 0.00 N ATOM 981 CZ ARG A 59 -6.449 -8.448 10.138 1.00 0.00 C ATOM 982 NH1 ARG A 59 -6.769 -8.841 8.925 1.00 0.00 N ATOM 983 NH2 ARG A 59 -6.070 -7.199 10.286 1.00 0.00 N ATOM 0 H ARG A 59 -2.316 -10.107 12.620 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.218 -11.278 14.285 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.181 -10.288 11.764 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.101 -11.992 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.207 -12.457 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.204 -10.960 13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.380 -11.126 10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.761 -10.927 11.299 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.354 -8.813 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.063 -9.804 8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.723 -8.183 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.806 -6.852 11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.039 -6.576 9.479 1.00 0.00 H new ATOM 997 N ARG A 60 -2.127 -13.457 12.941 1.00 0.00 N ATOM 998 CA ARG A 60 -1.643 -14.850 13.051 1.00 0.00 C ATOM 999 C ARG A 60 -1.287 -15.202 14.511 1.00 0.00 C ATOM 1000 O ARG A 60 -1.529 -16.317 14.959 1.00 0.00 O ATOM 1001 CB ARG A 60 -0.405 -15.047 12.161 1.00 0.00 C ATOM 1002 CG ARG A 60 0.130 -16.485 12.242 1.00 0.00 C ATOM 1003 CD ARG A 60 1.229 -16.715 11.202 1.00 0.00 C ATOM 1004 NE ARG A 60 1.435 -18.151 10.954 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.175 -18.682 9.989 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.847 -17.942 9.132 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.255 -19.989 9.867 1.00 0.00 N ATOM 0 H ARG A 60 -1.523 -12.845 12.392 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.444 -15.512 12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.658 -14.811 11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.376 -14.350 12.465 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.522 -16.676 13.241 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.685 -17.191 12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.961 -16.217 10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.160 -16.266 11.547 1.00 0.00 H new ATOM 0 HE ARG A 60 0.964 -18.800 11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.809 -16.925 9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.405 -18.386 8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.748 -20.594 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.824 -20.398 9.126 1.00 0.00 H new ATOM 1021 N HIS A 61 -0.701 -14.240 15.236 1.00 0.00 N ATOM 1022 CA HIS A 61 -0.257 -14.466 16.622 1.00 0.00 C ATOM 1023 C HIS A 61 -1.432 -14.341 17.617 1.00 0.00 C ATOM 1024 O HIS A 61 -1.290 -14.670 18.793 1.00 0.00 O ATOM 1025 CB HIS A 61 0.832 -13.446 16.992 1.00 0.00 C ATOM 1026 CG HIS A 61 2.167 -13.638 16.313 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.889 -14.811 16.256 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.961 -12.640 15.811 1.00 0.00 C ATOM 1029 CE1 HIS A 61 4.095 -14.518 15.735 1.00 0.00 C ATOM 1030 NE2 HIS A 61 4.187 -13.210 15.467 1.00 0.00 N ATOM 0 H HIS A 61 -0.523 -13.298 14.888 1.00 0.00 H new ATOM 0 HA HIS A 61 0.142 -15.478 16.685 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.465 -12.448 16.754 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.985 -13.481 18.071 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.568 -15.732 16.554 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.687 -11.601 15.702 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.880 -15.239 15.558 1.00 0.00 H new ATOM 1038 N THR A 62 -2.566 -13.803 17.143 1.00 0.00 N ATOM 1039 CA THR A 62 -3.694 -13.445 18.030 1.00 0.00 C ATOM 1040 C THR A 62 -4.973 -14.243 17.679 1.00 0.00 C ATOM 1041 O THR A 62 -5.938 -14.233 18.439 1.00 0.00 O ATOM 1042 CB THR A 62 -4.003 -11.944 17.926 1.00 0.00 C ATOM 1043 OG1 THR A 62 -4.157 -11.574 16.584 1.00 0.00 O ATOM 1044 CG2 THR A 62 -2.860 -11.068 18.438 1.00 0.00 C ATOM 0 H THR A 62 -2.730 -13.605 16.156 1.00 0.00 H new ATOM 0 HA THR A 62 -3.393 -13.695 19.047 1.00 0.00 H new ATOM 0 HB THR A 62 -4.903 -11.794 18.522 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.281 -11.566 16.144 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.135 -10.018 18.340 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.668 -11.297 19.486 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.961 -11.264 17.853 1.00 0.00 H new ATOM 1052 N GLY A 63 -4.935 -14.992 16.560 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.035 -15.922 16.214 1.00 0.00 C ATOM 1054 C GLY A 63 -7.380 -15.205 15.924 1.00 0.00 C ATOM 1055 O GLY A 63 -8.424 -15.853 15.839 1.00 0.00 O ATOM 0 H GLY A 63 -4.168 -14.975 15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.746 -16.505 15.339 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.177 -16.626 17.034 1.00 0.00 H new ATOM 1059 N VAL A 64 -7.346 -13.873 15.791 1.00 0.00 N ATOM 1060 CA VAL A 64 -8.575 -13.077 15.611 1.00 0.00 C ATOM 1061 C VAL A 64 -9.105 -13.204 14.172 1.00 0.00 C ATOM 1062 O VAL A 64 -8.404 -12.891 13.212 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.297 -11.590 15.934 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.564 -10.729 15.803 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -7.813 -11.416 17.381 1.00 0.00 C ATOM 0 H VAL A 64 -6.487 -13.323 15.804 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.332 -13.461 16.295 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.538 -11.272 15.219 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.325 -9.692 16.038 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.943 -10.792 14.783 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.324 -11.092 16.495 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.626 -10.360 17.578 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.577 -11.783 18.067 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.892 -11.981 17.527 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.380 -13.602 14.043 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.066 -13.639 12.737 1.00 0.00 C ATOM 1077 C LYS A 65 -12.275 -12.681 12.745 1.00 0.00 C ATOM 1078 O LYS A 65 -13.371 -13.061 13.159 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.532 -15.075 12.424 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.343 -16.001 12.126 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.799 -17.415 11.743 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.611 -18.315 11.380 1.00 0.00 C ATOM 1083 NZ LYS A 65 -8.955 -17.890 10.124 1.00 0.00 N ATOM 0 H LYS A 65 -10.959 -13.903 14.826 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.367 -13.318 11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.097 -15.468 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.207 -15.061 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.749 -15.579 11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.696 -16.053 13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.350 -17.857 12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.485 -17.360 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.884 -18.300 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.954 -19.345 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.260 -18.608 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.671 -17.782 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.472 -16.981 10.275 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.053 -11.392 12.387 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.057 -10.347 12.552 1.00 0.00 C ATOM 1099 C PRO A 66 -14.053 -10.270 11.380 1.00 0.00 C ATOM 1100 O PRO A 66 -15.101 -9.641 11.500 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.226 -9.061 12.641 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.012 -9.343 11.756 1.00 0.00 C ATOM 1103 CD PRO A 66 -10.783 -10.845 11.923 1.00 0.00 C ATOM 0 HA PRO A 66 -13.682 -10.531 13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.788 -8.197 12.285 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.930 -8.847 13.668 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.205 -9.081 10.716 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.142 -8.768 12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.482 -11.302 10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.987 -11.042 12.641 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.733 -10.934 10.254 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.646 -10.966 9.098 1.00 0.00 C ATOM 1113 C PHE A 67 -15.588 -12.174 9.205 1.00 0.00 C ATOM 1114 O PHE A 67 -15.160 -13.255 9.557 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.835 -11.035 7.796 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.868 -9.874 7.631 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.315 -8.656 7.084 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.537 -9.990 8.066 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.435 -7.564 6.974 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.652 -8.901 7.949 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.101 -7.688 7.400 1.00 0.00 C ATOM 0 H PHE A 67 -12.862 -11.448 10.121 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.246 -10.056 9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.277 -11.971 7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.521 -11.052 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.337 -8.560 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.191 -10.920 8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.785 -6.629 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.629 -8.998 8.281 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.423 -6.853 7.306 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.889 -11.958 8.971 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.873 -13.065 9.004 1.00 0.00 C ATOM 1133 C GLN A 68 -18.660 -13.146 7.688 1.00 0.00 C ATOM 1134 O GLN A 68 -19.122 -12.127 7.168 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.836 -12.877 10.186 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.661 -14.155 10.436 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.188 -14.270 11.864 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.347 -13.298 12.586 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -20.443 -15.474 12.339 1.00 0.00 N ATOM 0 H GLN A 68 -17.287 -11.043 8.759 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.329 -14.001 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.271 -12.623 11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.506 -12.041 9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.503 -14.176 9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.044 -15.026 10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.314 -16.294 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.769 -15.585 13.299 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.886 -14.379 7.209 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.737 -14.619 6.038 1.00 0.00 C ATOM 1150 C CYS A 69 -21.188 -14.210 6.336 1.00 0.00 C ATOM 1151 O CYS A 69 -21.645 -14.284 7.477 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.688 -16.101 5.635 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.713 -16.379 4.146 1.00 0.00 S ATOM 0 H CYS A 69 -18.489 -15.226 7.617 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.361 -14.014 5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.658 -16.399 5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.048 -16.722 6.456 1.00 0.00 H new ATOM 0 HG CYS A 69 -19.948 -16.428 3.096 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.897 -13.757 5.302 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.321 -13.400 5.440 1.00 0.00 C ATOM 1160 C LYS A 70 -24.225 -14.593 5.068 1.00 0.00 C ATOM 1161 O LYS A 70 -25.443 -14.524 5.218 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.649 -12.197 4.539 1.00 0.00 C ATOM 1163 CG LYS A 70 -22.828 -10.923 4.825 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.979 -10.349 6.247 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.971 -10.948 7.237 1.00 0.00 C ATOM 1166 NZ LYS A 70 -22.123 -10.374 8.588 1.00 0.00 N ATOM 0 H LYS A 70 -21.518 -13.627 4.364 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.509 -13.136 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.491 -12.487 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.708 -11.960 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.775 -11.142 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.118 -10.155 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.850 -9.267 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.991 -10.539 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.106 -12.029 7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.958 -10.768 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.425 -10.803 9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.970 -9.346 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.082 -10.567 8.941 1.00 0.00 H new ATOM 1180 N THR A 71 -23.604 -15.689 4.608 1.00 0.00 N ATOM 1181 CA THR A 71 -24.336 -16.871 4.125 1.00 0.00 C ATOM 1182 C THR A 71 -24.232 -18.029 5.133 1.00 0.00 C ATOM 1183 O THR A 71 -25.201 -18.339 5.827 1.00 0.00 O ATOM 1184 CB THR A 71 -23.783 -17.342 2.750 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.815 -16.458 2.216 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.904 -17.436 1.717 1.00 0.00 C ATOM 0 H THR A 71 -22.589 -15.782 4.560 1.00 0.00 H new ATOM 0 HA THR A 71 -25.382 -16.584 4.013 1.00 0.00 H new ATOM 0 HB THR A 71 -23.328 -18.314 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.958 -16.598 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.493 -17.767 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.653 -18.151 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.367 -16.457 1.592 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.034 -18.633 5.243 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.802 -19.742 6.181 1.00 0.00 C ATOM 1196 C CYS A 72 -22.371 -19.216 7.570 1.00 0.00 C ATOM 1197 O CYS A 72 -22.240 -19.991 8.521 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.720 -20.670 5.626 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.163 -19.768 5.464 1.00 0.00 S ATOM 0 H CYS A 72 -22.215 -18.371 4.694 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.736 -20.292 6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.588 -21.526 6.288 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.027 -21.062 4.656 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.393 -18.594 4.956 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.197 -17.884 7.678 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.817 -17.232 8.944 1.00 0.00 C ATOM 1206 C GLN A 73 -20.439 -17.738 9.448 1.00 0.00 C ATOM 1207 O GLN A 73 -20.131 -17.638 10.641 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.901 -17.480 10.025 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.370 -17.386 9.563 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.727 -16.099 8.816 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -24.559 -14.996 9.313 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -25.252 -16.206 7.609 1.00 0.00 N ATOM 0 H GLN A 73 -22.315 -17.237 6.898 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.737 -16.161 8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.740 -18.471 10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.750 -16.761 10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.588 -18.237 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -25.017 -17.474 10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.392 -17.127 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.517 -15.368 7.092 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.584 -18.201 8.512 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.223 -18.632 8.850 1.00 0.00 C ATOM 1223 C ARG A 74 -17.293 -17.429 8.982 1.00 0.00 C ATOM 1224 O ARG A 74 -17.394 -16.470 8.223 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.688 -19.586 7.763 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.267 -20.078 8.086 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.814 -21.246 7.209 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.408 -21.576 7.508 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.862 -22.780 7.635 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.526 -23.891 7.400 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.602 -22.884 7.995 1.00 0.00 N ATOM 0 H ARG A 74 -19.816 -18.283 7.522 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.255 -19.154 9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.357 -20.442 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.686 -19.076 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.568 -19.250 7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.225 -20.381 9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.447 -22.115 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.920 -20.985 6.156 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.778 -20.783 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.502 -23.849 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.065 -24.794 7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.052 -22.044 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.174 -23.805 8.095 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.392 -17.482 9.969 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.476 -16.374 10.238 1.00 0.00 C ATOM 1247 C LYS A 75 -14.136 -16.563 9.500 1.00 0.00 C ATOM 1248 O LYS A 75 -13.622 -17.677 9.391 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.225 -16.257 11.753 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.168 -15.219 12.379 1.00 0.00 C ATOM 1251 CD LYS A 75 -15.896 -15.045 13.881 1.00 0.00 C ATOM 1252 CE LYS A 75 -16.388 -13.684 14.389 1.00 0.00 C ATOM 1253 NZ LYS A 75 -17.860 -13.563 14.334 1.00 0.00 N ATOM 0 H LYS A 75 -16.279 -18.281 10.593 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.939 -15.457 9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.376 -17.226 12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.189 -15.971 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.045 -14.262 11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.202 -15.528 12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.391 -15.842 14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.827 -15.141 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.052 -13.539 15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.938 -12.891 13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.170 -12.806 14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.154 -13.335 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.293 -14.463 14.625 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.553 -15.440 9.071 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.238 -15.413 8.436 1.00 0.00 C ATOM 1269 C PHE A 76 -11.412 -14.223 8.962 1.00 0.00 C ATOM 1270 O PHE A 76 -11.954 -13.288 9.572 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.394 -15.294 6.907 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.224 -16.384 6.264 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.632 -17.621 5.938 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.597 -16.175 6.026 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.413 -18.654 5.391 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.379 -17.215 5.498 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.788 -18.451 5.185 1.00 0.00 C ATOM 0 H PHE A 76 -13.985 -14.520 9.156 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.718 -16.340 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.846 -14.329 6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.403 -15.297 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.577 -17.775 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.046 -15.218 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.959 -19.598 5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.436 -17.065 5.332 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.394 -19.250 4.784 1.00 0.00 H new ATOM 1287 N SER A 77 -10.096 -14.273 8.733 1.00 0.00 N ATOM 1288 CA SER A 77 -9.175 -13.269 9.273 1.00 0.00 C ATOM 1289 C SER A 77 -8.867 -12.165 8.247 1.00 0.00 C ATOM 1290 O SER A 77 -8.278 -11.145 8.595 1.00 0.00 O ATOM 1291 CB SER A 77 -7.862 -13.948 9.698 1.00 0.00 C ATOM 1292 OG SER A 77 -7.418 -14.827 8.673 1.00 0.00 O ATOM 0 H SER A 77 -9.645 -14.999 8.177 1.00 0.00 H new ATOM 0 HA SER A 77 -9.657 -12.805 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.101 -13.194 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.012 -14.502 10.624 1.00 0.00 H new ATOM 0 HG SER A 77 -6.581 -15.255 8.949 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.275 -12.373 6.984 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.989 -11.413 5.902 1.00 0.00 C ATOM 1300 C ARG A 78 -10.197 -11.257 4.976 1.00 0.00 C ATOM 1301 O ARG A 78 -10.806 -12.245 4.563 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.778 -11.897 5.087 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.432 -11.723 5.811 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.405 -12.777 5.393 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.182 -12.791 3.940 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.050 -13.064 3.311 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.932 -13.262 3.966 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.046 -13.118 2.000 1.00 0.00 N ATOM 0 H ARG A 78 -9.802 -13.194 6.687 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.769 -10.445 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.914 -12.950 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.746 -11.352 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.035 -10.730 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.591 -11.782 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.461 -12.583 5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.745 -13.761 5.716 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.986 -12.566 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.921 -13.207 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.073 -13.471 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.907 -12.951 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.181 -13.327 1.501 1.00 0.00 H new ATOM 1322 N SER A 79 -10.512 -10.005 4.621 1.00 0.00 N ATOM 1323 CA SER A 79 -11.608 -9.707 3.685 1.00 0.00 C ATOM 1324 C SER A 79 -11.363 -10.365 2.316 1.00 0.00 C ATOM 1325 O SER A 79 -12.302 -10.785 1.653 1.00 0.00 O ATOM 1326 CB SER A 79 -11.743 -8.190 3.506 1.00 0.00 C ATOM 1327 OG SER A 79 -10.484 -7.597 3.249 1.00 0.00 O ATOM 0 H SER A 79 -10.023 -9.179 4.968 1.00 0.00 H new ATOM 0 HA SER A 79 -12.529 -10.112 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.425 -7.976 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.179 -7.751 4.403 1.00 0.00 H new ATOM 0 HG SER A 79 -10.595 -6.630 3.137 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.089 -10.453 1.906 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.730 -11.085 0.625 1.00 0.00 C ATOM 1335 C ASP A 80 -10.073 -12.610 0.642 1.00 0.00 C ATOM 1336 O ASP A 80 -10.661 -13.128 -0.314 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.237 -10.862 0.315 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.190 -11.221 1.368 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.033 -12.425 1.670 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.499 -10.278 1.811 1.00 0.00 O ATOM 0 H ASP A 80 -9.294 -10.098 2.438 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.318 -10.618 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.002 -11.428 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.108 -9.807 0.071 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.798 -13.288 1.780 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.237 -14.686 1.984 1.00 0.00 C ATOM 1347 C HIS A 81 -11.760 -14.779 2.002 1.00 0.00 C ATOM 1348 O HIS A 81 -12.329 -15.688 1.423 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.694 -15.233 3.317 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.231 -15.498 3.454 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.288 -15.493 2.465 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.610 -15.831 4.623 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.120 -15.815 3.039 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.259 -15.968 4.362 1.00 0.00 N ATOM 0 H HIS A 81 -9.279 -12.893 2.564 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.847 -15.278 1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.974 -14.528 4.099 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.217 -16.166 3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.089 -15.964 5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.189 -15.935 2.505 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.519 -16.149 5.040 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.413 -13.854 2.721 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.875 -13.872 2.859 1.00 0.00 C ATOM 1364 C LEU A 82 -14.555 -13.676 1.492 1.00 0.00 C ATOM 1365 O LEU A 82 -15.449 -14.433 1.126 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.324 -12.770 3.834 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.841 -12.798 4.122 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.112 -12.256 5.521 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.671 -11.922 3.172 1.00 0.00 C ATOM 0 H LEU A 82 -11.954 -13.088 3.213 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.172 -14.843 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.780 -12.879 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.056 -11.797 3.422 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.133 -13.841 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.184 -12.278 5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.595 -12.872 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.752 -11.230 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.726 -11.995 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.346 -10.885 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.531 -12.264 2.146 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.092 -12.673 0.730 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.595 -12.420 -0.634 1.00 0.00 C ATOM 1383 C LYS A 83 -14.292 -13.612 -1.555 1.00 0.00 C ATOM 1384 O LYS A 83 -15.080 -13.940 -2.433 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.943 -11.144 -1.197 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.510 -10.706 -2.557 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.934 -9.342 -2.971 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.523 -8.843 -4.296 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.086 -9.670 -5.439 1.00 0.00 N ATOM 0 H LYS A 83 -13.369 -12.021 1.034 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.676 -12.287 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.075 -10.333 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.870 -11.309 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.270 -11.453 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.597 -10.646 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.136 -8.611 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.851 -9.420 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.611 -8.853 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.222 -7.808 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.478 -9.280 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.047 -9.668 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.424 -10.645 -5.311 1.00 0.00 H new ATOM 1403 N THR A 84 -13.152 -14.267 -1.326 1.00 0.00 N ATOM 1404 CA THR A 84 -12.785 -15.472 -2.078 1.00 0.00 C ATOM 1405 C THR A 84 -13.733 -16.642 -1.731 1.00 0.00 C ATOM 1406 O THR A 84 -14.395 -17.195 -2.612 1.00 0.00 O ATOM 1407 CB THR A 84 -11.341 -15.885 -1.734 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.467 -14.895 -2.221 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.857 -17.249 -2.194 1.00 0.00 C ATOM 0 H THR A 84 -12.466 -13.984 -0.626 1.00 0.00 H new ATOM 0 HA THR A 84 -12.866 -15.246 -3.141 1.00 0.00 H new ATOM 0 HB THR A 84 -11.344 -15.976 -0.648 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.150 -14.343 -1.476 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.824 -17.394 -1.878 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.484 -18.025 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.915 -17.308 -3.281 1.00 0.00 H new ATOM 1417 N HIS A 85 -13.923 -16.877 -0.425 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.841 -17.909 0.067 1.00 0.00 C ATOM 1419 C HIS A 85 -16.284 -17.601 -0.355 1.00 0.00 C ATOM 1420 O HIS A 85 -17.050 -18.505 -0.679 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.752 -17.985 1.603 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.017 -18.478 2.236 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.470 -19.780 2.276 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.018 -17.659 2.675 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.741 -19.736 2.713 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.096 -18.471 2.980 1.00 0.00 N ATOM 0 H HIS A 85 -13.447 -16.360 0.314 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.554 -18.867 -0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.931 -18.645 1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.515 -16.997 1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.976 -16.584 2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.383 -20.596 2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.998 -18.163 3.343 1.00 0.00 H new ATOM 1434 N THR A 86 -16.607 -16.313 -0.440 1.00 0.00 N ATOM 1435 CA THR A 86 -17.928 -15.859 -0.866 1.00 0.00 C ATOM 1436 C THR A 86 -18.294 -16.474 -2.211 1.00 0.00 C ATOM 1437 O THR A 86 -19.441 -16.864 -2.427 1.00 0.00 O ATOM 1438 CB THR A 86 -17.973 -14.326 -0.983 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.768 -13.756 0.287 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.272 -13.712 -1.482 1.00 0.00 C ATOM 0 H THR A 86 -15.961 -15.556 -0.216 1.00 0.00 H new ATOM 0 HA THR A 86 -18.647 -16.178 -0.111 1.00 0.00 H new ATOM 0 HB THR A 86 -17.201 -14.112 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.812 -13.773 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.171 -12.627 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.493 -14.089 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.084 -13.979 -0.806 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.315 -16.546 -3.133 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.575 -17.035 -4.489 1.00 0.00 C ATOM 1450 C ARG A 87 -18.057 -18.498 -4.480 1.00 0.00 C ATOM 1451 O ARG A 87 -18.737 -18.928 -5.405 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.317 -16.920 -5.345 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.902 -15.471 -5.626 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.725 -15.440 -6.606 1.00 0.00 C ATOM 1455 NE ARG A 87 -14.570 -14.110 -7.199 1.00 0.00 N ATOM 1456 CZ ARG A 87 -13.481 -13.581 -7.733 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -12.309 -14.176 -7.725 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -13.583 -12.406 -8.311 1.00 0.00 N ATOM 0 H ARG A 87 -16.347 -16.273 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.365 -16.415 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.497 -17.434 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.483 -17.433 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.745 -14.917 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.623 -14.978 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.808 -15.720 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.883 -16.177 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.402 -13.520 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.206 -15.093 -7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.503 -13.720 -8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.484 -11.928 -8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.762 -11.972 -8.732 1.00 0.00 H new ATOM 1472 N THR A 88 -17.734 -19.251 -3.410 1.00 0.00 N ATOM 1473 CA THR A 88 -18.238 -20.637 -3.256 1.00 0.00 C ATOM 1474 C THR A 88 -19.778 -20.656 -3.218 1.00 0.00 C ATOM 1475 O THR A 88 -20.401 -21.608 -3.680 1.00 0.00 O ATOM 1476 CB THR A 88 -17.706 -21.294 -1.961 1.00 0.00 C ATOM 1477 OG1 THR A 88 -18.223 -20.698 -0.798 1.00 0.00 O ATOM 1478 CG2 THR A 88 -16.181 -21.335 -1.842 1.00 0.00 C ATOM 0 H THR A 88 -17.136 -18.932 -2.648 1.00 0.00 H new ATOM 0 HA THR A 88 -17.880 -21.202 -4.117 1.00 0.00 H new ATOM 0 HB THR A 88 -18.062 -22.321 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.545 -20.112 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.902 -21.813 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.766 -21.902 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.787 -20.319 -1.863 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.380 -19.570 -2.704 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.838 -19.447 -2.630 1.00 0.00 C ATOM 1488 C HIS A 89 -22.411 -18.812 -3.919 1.00 0.00 C ATOM 1489 O HIS A 89 -23.584 -18.995 -4.232 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.227 -18.584 -1.418 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.842 -19.162 -0.075 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.245 -20.379 0.430 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.121 -18.528 0.904 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.780 -20.467 1.690 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.111 -19.359 2.027 1.00 0.00 N ATOM 0 H HIS A 89 -19.874 -18.765 -2.334 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.257 -20.447 -2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.760 -17.605 -1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.305 -18.426 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.647 -17.561 0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.927 -21.317 2.340 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.678 -19.160 2.929 1.00 0.00 H new ATOM 1503 N THR A 90 -21.576 -18.043 -4.642 1.00 0.00 N ATOM 1504 CA THR A 90 -22.029 -17.308 -5.848 1.00 0.00 C ATOM 1505 C THR A 90 -21.706 -18.084 -7.143 1.00 0.00 C ATOM 1506 O THR A 90 -22.067 -17.649 -8.235 1.00 0.00 O ATOM 1507 CB THR A 90 -21.350 -15.925 -5.934 1.00 0.00 C ATOM 1508 OG1 THR A 90 -20.007 -16.003 -6.289 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.500 -15.064 -4.680 1.00 0.00 C ATOM 0 H THR A 90 -20.590 -17.912 -4.418 1.00 0.00 H new ATOM 0 HA THR A 90 -23.109 -17.193 -5.756 1.00 0.00 H new ATOM 0 HB THR A 90 -21.899 -15.425 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 90 -19.627 -15.101 -6.330 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.992 -14.111 -4.830 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.558 -14.885 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 90 -21.057 -15.581 -3.829 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.018 -19.229 -7.004 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.583 -20.020 -8.174 1.00 0.00 C ATOM 1519 C GLY A 91 -19.705 -19.199 -9.154 1.00 0.00 C ATOM 1520 O GLY A 91 -19.577 -19.555 -10.326 1.00 0.00 O ATOM 0 H GLY A 91 -20.752 -19.627 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.023 -20.890 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.460 -20.393 -8.703 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.144 -18.080 -8.668 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.434 -17.122 -9.527 1.00 0.00 C ATOM 1526 C GLU A 92 -17.048 -17.660 -9.933 1.00 0.00 C ATOM 1527 O GLU A 92 -16.036 -17.338 -9.310 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.286 -15.785 -8.788 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.624 -14.592 -9.492 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.549 -13.386 -8.538 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.439 -13.270 -7.661 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.569 -12.613 -8.655 1.00 0.00 O ATOM 0 H GLU A 92 -19.169 -17.817 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.015 -16.975 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.284 -15.470 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.721 -15.979 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.622 -14.866 -9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.192 -14.325 -10.383 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.035 -18.521 -10.959 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.785 -19.113 -11.469 1.00 0.00 C ATOM 1541 C LYS A 93 -15.426 -18.531 -12.864 1.00 0.00 C ATOM 1542 O LYS A 93 -15.749 -19.125 -13.892 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.936 -20.646 -11.564 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.051 -21.314 -10.186 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.341 -22.815 -10.313 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.406 -23.499 -8.942 1.00 0.00 C ATOM 1547 NZ LYS A 93 -17.566 -23.041 -8.150 1.00 0.00 N ATOM 0 H LYS A 93 -17.874 -18.825 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.979 -18.868 -10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.821 -20.884 -12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.078 -21.060 -12.094 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.125 -21.167 -9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.846 -20.836 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.286 -22.960 -10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.566 -23.285 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.463 -24.579 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.488 -23.295 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.631 -23.599 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.448 -22.036 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.436 -23.165 -8.706 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.764 -17.346 -12.903 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.393 -16.696 -14.153 1.00 0.00 C ATOM 1563 C PRO A 94 -13.058 -17.217 -14.732 1.00 0.00 C ATOM 1564 O PRO A 94 -12.831 -17.136 -15.940 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.265 -15.219 -13.760 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.736 -15.282 -12.322 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.437 -16.516 -11.752 1.00 0.00 C ATOM 0 HA PRO A 94 -15.127 -16.886 -14.936 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.579 -14.685 -14.418 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.224 -14.704 -13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.651 -15.385 -12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.984 -14.381 -11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.789 -17.049 -11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.336 -16.237 -11.201 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.164 -17.725 -13.856 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.801 -18.117 -14.276 1.00 0.00 C ATOM 1577 C PHE A 95 -10.829 -19.438 -15.066 1.00 0.00 C ATOM 1578 O PHE A 95 -10.589 -20.507 -14.516 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.891 -18.266 -13.048 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.678 -17.006 -12.246 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.758 -16.030 -12.676 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.388 -16.824 -11.051 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.551 -14.869 -11.908 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.199 -15.653 -10.296 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.280 -14.676 -10.721 1.00 0.00 C ATOM 0 H PHE A 95 -12.358 -17.872 -12.865 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.407 -17.334 -14.923 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.315 -19.027 -12.393 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.920 -18.635 -13.379 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.211 -16.173 -13.596 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.079 -17.582 -10.711 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.834 -14.128 -12.229 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.761 -15.503 -9.386 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.135 -13.779 -10.137 1.00 0.00 H new ATOM 1595 N SER A 96 -11.137 -19.344 -16.360 1.00 0.00 N ATOM 1596 CA SER A 96 -11.257 -20.528 -17.225 1.00 0.00 C ATOM 1597 C SER A 96 -9.898 -20.903 -17.832 1.00 0.00 C ATOM 1598 O SER A 96 -9.087 -20.029 -18.149 1.00 0.00 O ATOM 1599 CB SER A 96 -12.265 -20.249 -18.344 1.00 0.00 C ATOM 1600 OG SER A 96 -13.487 -19.781 -17.785 1.00 0.00 O ATOM 0 H SER A 96 -11.309 -18.459 -16.837 1.00 0.00 H new ATOM 0 HA SER A 96 -11.605 -21.364 -16.619 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.862 -19.507 -19.033 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.442 -21.157 -18.921 1.00 0.00 H new ATOM 0 HG SER A 96 -14.128 -19.602 -18.504 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.664 -22.215 -17.999 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.417 -22.715 -18.583 1.00 0.00 C ATOM 1608 C CYS A 97 -8.345 -22.397 -20.081 1.00 0.00 C ATOM 1609 O CYS A 97 -9.357 -22.083 -20.718 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.301 -24.235 -18.361 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.651 -24.886 -18.690 1.00 0.00 S ATOM 0 H CYS A 97 -10.325 -22.946 -17.736 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.585 -22.215 -18.087 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.576 -24.466 -17.332 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.019 -24.744 -19.004 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.617 -26.151 -18.393 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.128 -22.449 -20.620 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.859 -22.068 -22.013 1.00 0.00 C ATOM 1618 C ARG A 98 -6.119 -23.191 -22.758 1.00 0.00 C ATOM 1619 O ARG A 98 -5.643 -22.995 -23.875 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.014 -20.768 -22.043 1.00 0.00 C ATOM 1621 CG ARG A 98 -4.839 -20.671 -21.043 1.00 0.00 C ATOM 1622 CD ARG A 98 -3.706 -21.679 -21.277 1.00 0.00 C ATOM 1623 NE ARG A 98 -2.732 -21.662 -20.177 1.00 0.00 N ATOM 1624 CZ ARG A 98 -1.511 -22.182 -20.199 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -0.997 -22.739 -21.275 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -0.776 -22.165 -19.111 1.00 0.00 N ATOM 0 H ARG A 98 -6.300 -22.755 -20.108 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.811 -21.897 -22.515 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.613 -20.648 -23.049 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.682 -19.926 -21.863 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.425 -19.664 -21.088 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.227 -20.811 -20.034 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.124 -22.680 -21.378 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.201 -21.448 -22.215 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.023 -21.206 -19.312 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.542 -22.783 -22.136 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.054 -23.127 -21.248 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.144 -21.753 -18.253 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.163 -22.564 -19.123 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.987 -24.353 -22.107 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.262 -25.481 -22.679 1.00 0.00 C ATOM 1642 C TRP A 99 -6.029 -26.071 -23.887 1.00 0.00 C ATOM 1643 O TRP A 99 -7.262 -26.069 -23.912 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.053 -26.559 -21.607 1.00 0.00 C ATOM 1645 CG TRP A 99 -3.800 -26.322 -20.815 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -3.614 -25.310 -19.939 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -2.521 -27.028 -20.874 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.341 -25.365 -19.413 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.615 -26.396 -19.967 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.024 -28.127 -21.610 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.295 -26.837 -19.789 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -0.698 -28.573 -21.446 1.00 0.00 C ATOM 1653 CH2 TRP A 99 0.164 -27.936 -20.535 1.00 0.00 C ATOM 0 H TRP A 99 -6.376 -24.531 -21.181 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.292 -25.130 -23.031 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.911 -26.574 -20.935 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.003 -27.539 -22.082 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.355 -24.566 -19.687 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.983 -24.725 -18.705 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.672 -28.634 -22.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.359 -26.339 -19.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.340 -29.412 -22.025 1.00 0.00 H new ATOM 0 HH2 TRP A 99 1.176 -28.291 -20.409 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.294 -26.597 -24.898 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.889 -27.104 -26.149 1.00 0.00 C ATOM 1666 C PRO A 100 -6.611 -28.465 -25.966 1.00 0.00 C ATOM 1667 O PRO A 100 -6.730 -29.249 -26.910 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.679 -27.245 -27.089 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.512 -27.534 -26.144 1.00 0.00 C ATOM 1670 CD PRO A 100 -3.839 -26.664 -24.932 1.00 0.00 C ATOM 0 HA PRO A 100 -6.663 -26.436 -26.528 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.822 -28.053 -27.806 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.511 -26.334 -27.664 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.456 -28.590 -25.881 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.554 -27.265 -26.589 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.442 -27.100 -24.015 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.400 -25.671 -25.029 1.00 0.00 H new ATOM 1678 N SER A 101 -7.082 -28.730 -24.747 1.00 0.00 N ATOM 1679 CA SER A 101 -7.839 -29.955 -24.444 1.00 0.00 C ATOM 1680 C SER A 101 -8.612 -29.801 -23.120 1.00 0.00 C ATOM 1681 O SER A 101 -8.865 -30.785 -22.424 1.00 0.00 O ATOM 1682 CB SER A 101 -6.878 -31.155 -24.350 1.00 0.00 C ATOM 1683 OG SER A 101 -6.353 -31.457 -25.628 1.00 0.00 O ATOM 0 H SER A 101 -6.954 -28.112 -23.946 1.00 0.00 H new ATOM 0 HA SER A 101 -8.555 -30.127 -25.247 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.066 -30.928 -23.659 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.404 -32.022 -23.950 1.00 0.00 H new ATOM 0 HG SER A 101 -6.765 -30.872 -26.297 1.00 0.00 H new ATOM 1689 N CYS A 102 -8.963 -28.548 -22.774 1.00 0.00 N ATOM 1690 CA CYS A 102 -9.645 -28.250 -21.514 1.00 0.00 C ATOM 1691 C CYS A 102 -10.773 -27.218 -21.722 1.00 0.00 C ATOM 1692 O CYS A 102 -11.008 -26.745 -22.838 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.631 -27.714 -20.492 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.356 -27.707 -18.828 1.00 0.00 S ATOM 0 H CYS A 102 -8.782 -27.729 -23.355 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.092 -29.171 -21.140 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.733 -28.332 -20.502 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.326 -26.704 -20.767 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.415 -27.548 -17.945 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.484 -26.920 -20.634 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.574 -25.927 -20.623 1.00 0.00 C ATOM 1701 C GLN A 103 -13.112 -25.744 -19.179 1.00 0.00 C ATOM 1702 O GLN A 103 -14.285 -25.426 -18.975 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.725 -26.377 -21.565 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.182 -27.848 -21.440 1.00 0.00 C ATOM 1705 CD GLN A 103 -14.119 -28.640 -22.751 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.998 -29.429 -23.057 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -13.093 -28.483 -23.570 1.00 0.00 N ATOM 0 H GLN A 103 -11.324 -27.360 -19.728 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.182 -24.975 -20.980 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.587 -25.735 -21.382 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.411 -26.203 -22.594 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.561 -28.348 -20.697 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.205 -27.868 -21.065 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.347 -27.829 -23.334 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.047 -29.016 -24.438 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.237 -25.984 -18.184 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.620 -25.918 -16.768 1.00 0.00 C ATOM 1718 C LYS A 104 -12.433 -24.505 -16.239 1.00 0.00 C ATOM 1719 O LYS A 104 -11.613 -23.748 -16.750 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.758 -26.895 -15.952 1.00 0.00 C ATOM 1721 CG LYS A 104 -11.986 -28.359 -16.380 1.00 0.00 C ATOM 1722 CD LYS A 104 -10.832 -29.248 -15.900 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.817 -30.630 -16.563 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.544 -30.531 -18.013 1.00 0.00 N ATOM 0 H LYS A 104 -11.258 -26.226 -18.339 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.670 -26.195 -16.673 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.705 -26.640 -16.075 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.990 -26.786 -14.893 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.927 -28.722 -15.967 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.070 -28.417 -17.465 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.886 -28.745 -16.102 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.903 -29.372 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.058 -31.254 -16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.777 -31.121 -16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.727 -31.128 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.377 -30.853 -18.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.336 -29.543 -18.260 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.219 -24.142 -15.218 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.192 -22.786 -14.665 1.00 0.00 C ATOM 1740 C LYS A 105 -13.015 -22.802 -13.149 1.00 0.00 C ATOM 1741 O LYS A 105 -13.485 -23.711 -12.465 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.483 -22.043 -15.038 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.802 -22.801 -14.798 1.00 0.00 C ATOM 1744 CD LYS A 105 -17.075 -21.984 -15.082 1.00 0.00 C ATOM 1745 CE LYS A 105 -17.194 -21.384 -16.493 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.389 -20.154 -16.654 1.00 0.00 N ATOM 0 H LYS A 105 -13.880 -24.769 -14.760 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.336 -22.265 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.517 -21.111 -14.473 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.430 -21.774 -16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.812 -23.693 -15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.827 -23.139 -13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.940 -22.625 -14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -17.129 -21.171 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.873 -22.123 -17.227 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -18.240 -21.160 -16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.955 -19.430 -17.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.105 -19.800 -15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.540 -20.366 -17.216 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.344 -21.767 -12.637 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.051 -21.641 -11.205 1.00 0.00 C ATOM 1762 C PHE A 106 -12.457 -20.265 -10.692 1.00 0.00 C ATOM 1763 O PHE A 106 -12.671 -19.337 -11.473 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.549 -21.863 -10.961 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.097 -23.201 -11.504 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.300 -24.366 -10.744 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.651 -23.298 -12.836 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.109 -25.624 -11.337 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.492 -24.556 -13.439 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.742 -25.719 -12.690 1.00 0.00 C ATOM 0 H PHE A 106 -11.989 -20.994 -13.201 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.624 -22.396 -10.666 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.979 -21.064 -11.435 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.340 -21.812 -9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.601 -24.294 -9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.430 -22.401 -13.396 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.245 -26.521 -10.752 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.180 -24.630 -14.470 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.652 -26.689 -13.156 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.558 -20.136 -9.366 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.965 -18.879 -8.739 1.00 0.00 C ATOM 1782 C ALA A 107 -11.752 -18.128 -8.160 1.00 0.00 C ATOM 1783 O ALA A 107 -11.894 -17.026 -7.624 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.982 -19.168 -7.627 1.00 0.00 C ATOM 0 H ALA A 107 -12.363 -20.889 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.421 -18.245 -9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.286 -18.231 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.856 -19.661 -8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.528 -19.817 -6.878 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.552 -18.715 -8.317 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.313 -18.078 -7.881 1.00 0.00 C ATOM 1792 C ARG A 108 -8.245 -18.165 -8.974 1.00 0.00 C ATOM 1793 O ARG A 108 -8.079 -19.206 -9.628 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.800 -18.748 -6.606 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.682 -18.595 -5.362 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.425 -19.695 -4.320 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.998 -19.882 -3.997 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.520 -20.461 -2.900 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.294 -20.674 -1.866 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.271 -20.847 -2.864 1.00 0.00 N ATOM 0 H ARG A 108 -10.422 -19.632 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.521 -17.027 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.670 -19.812 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.814 -18.344 -6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.500 -17.620 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.731 -18.618 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.967 -19.451 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.831 -20.636 -4.690 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.318 -19.537 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.275 -20.395 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.917 -21.119 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.669 -20.703 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.899 -21.292 -2.025 1.00 0.00 H new ATOM 1814 N SER A 109 -7.498 -17.075 -9.142 1.00 0.00 N ATOM 1815 CA SER A 109 -6.437 -17.011 -10.135 1.00 0.00 C ATOM 1816 C SER A 109 -5.376 -18.089 -9.872 1.00 0.00 C ATOM 1817 O SER A 109 -4.944 -18.776 -10.791 1.00 0.00 O ATOM 1818 CB SER A 109 -5.784 -15.620 -10.107 1.00 0.00 C ATOM 1819 OG SER A 109 -4.706 -15.529 -11.015 1.00 0.00 O ATOM 0 H SER A 109 -7.613 -16.221 -8.597 1.00 0.00 H new ATOM 0 HA SER A 109 -6.873 -17.190 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.530 -14.863 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.429 -15.405 -9.099 1.00 0.00 H new ATOM 0 HG SER A 109 -4.316 -14.631 -10.971 1.00 0.00 H new ATOM 1825 N ASP A 110 -5.017 -18.283 -8.593 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.043 -19.314 -8.220 1.00 0.00 C ATOM 1827 C ASP A 110 -4.605 -20.741 -8.459 1.00 0.00 C ATOM 1828 O ASP A 110 -3.857 -21.646 -8.790 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.626 -19.150 -6.759 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.634 -19.658 -5.734 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.799 -19.222 -5.798 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.227 -20.456 -4.862 1.00 0.00 O ATOM 0 H ASP A 110 -5.384 -17.744 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.167 -19.187 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.682 -19.673 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.439 -18.093 -6.568 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.928 -20.930 -8.269 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.565 -22.231 -8.564 1.00 0.00 C ATOM 1839 C GLU A 111 -6.392 -22.575 -10.037 1.00 0.00 C ATOM 1840 O GLU A 111 -6.030 -23.697 -10.376 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.069 -22.208 -8.216 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.393 -22.613 -6.769 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.910 -22.692 -6.492 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.678 -21.991 -7.199 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.285 -23.416 -5.544 1.00 0.00 O ATOM 0 H GLU A 111 -6.565 -20.214 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.078 -22.989 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.455 -21.205 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.597 -22.878 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.939 -23.581 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.941 -21.894 -6.086 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.575 -21.577 -10.914 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.324 -21.764 -12.345 1.00 0.00 C ATOM 1854 C LEU A 112 -4.821 -22.061 -12.610 1.00 0.00 C ATOM 1855 O LEU A 112 -4.490 -22.986 -13.353 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.764 -20.520 -13.128 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.473 -20.636 -14.638 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.173 -21.835 -15.283 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.906 -19.371 -15.381 1.00 0.00 C ATOM 0 H LEU A 112 -6.893 -20.642 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.907 -22.620 -12.684 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.832 -20.360 -12.979 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.252 -19.644 -12.729 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.395 -20.774 -14.722 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.933 -21.868 -16.346 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.834 -22.754 -14.806 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.251 -21.738 -15.157 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.689 -19.481 -16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.976 -19.216 -15.243 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.362 -18.513 -14.986 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.924 -21.322 -11.930 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.462 -21.585 -12.021 1.00 0.00 C ATOM 1873 C VAL A 113 -2.146 -23.027 -11.587 1.00 0.00 C ATOM 1874 O VAL A 113 -1.382 -23.733 -12.247 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.679 -20.591 -11.120 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.175 -20.905 -11.071 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.804 -19.124 -11.551 1.00 0.00 C ATOM 0 H VAL A 113 -4.174 -20.546 -11.317 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.155 -21.450 -13.058 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.142 -20.723 -10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.327 -20.182 -10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.026 -21.909 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.242 -20.847 -12.077 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.229 -18.495 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.420 -19.009 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.852 -18.825 -11.523 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.777 -23.466 -10.492 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.611 -24.823 -9.972 1.00 0.00 C ATOM 1889 C ARG A 114 -3.252 -25.856 -10.904 1.00 0.00 C ATOM 1890 O ARG A 114 -2.700 -26.929 -11.116 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.262 -24.911 -8.578 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.184 -26.234 -7.803 1.00 0.00 C ATOM 1893 CD ARG A 114 -4.112 -26.091 -6.581 1.00 0.00 C ATOM 1894 NE ARG A 114 -3.899 -27.113 -5.548 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.940 -27.115 -4.627 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -1.944 -26.253 -4.626 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.970 -28.005 -3.668 1.00 0.00 N ATOM 0 H ARG A 114 -3.416 -22.890 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.545 -25.042 -9.906 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.812 -24.138 -7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.316 -24.657 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.497 -27.068 -8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.160 -26.438 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -3.965 -25.106 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.148 -26.138 -6.917 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.550 -27.898 -5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.884 -25.542 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -1.233 -26.296 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.725 -28.690 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.238 -28.014 -2.957 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.359 -25.474 -11.547 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.042 -26.376 -12.471 1.00 0.00 C ATOM 1913 C HIS A 115 -4.176 -26.637 -13.701 1.00 0.00 C ATOM 1914 O HIS A 115 -4.009 -27.778 -14.117 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.379 -25.777 -12.898 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.952 -26.584 -14.024 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.278 -27.922 -13.955 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -6.969 -26.205 -15.339 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.491 -28.334 -15.213 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.351 -27.314 -16.064 1.00 0.00 N ATOM 0 H HIS A 115 -4.795 -24.558 -11.445 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.221 -27.322 -11.960 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.070 -25.767 -12.055 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.242 -24.742 -13.211 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.344 -28.489 -13.110 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.730 -25.228 -15.732 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.740 -29.346 -15.497 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.546 -25.581 -14.216 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.576 -25.715 -15.290 1.00 0.00 C ATOM 1930 C HIS A 116 -1.438 -26.686 -14.884 1.00 0.00 C ATOM 1931 O HIS A 116 -0.925 -27.428 -15.720 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.997 -24.341 -15.649 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.966 -23.405 -16.349 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.117 -23.727 -17.049 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.797 -22.051 -16.457 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.607 -22.591 -17.574 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.820 -21.546 -17.264 1.00 0.00 N ATOM 0 H HIS A 116 -3.695 -24.622 -13.902 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.082 -26.127 -16.163 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.645 -23.861 -14.736 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.127 -24.485 -16.289 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -4.520 -24.659 -17.148 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.009 -21.473 -15.998 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.509 -22.526 -18.164 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.081 -26.701 -13.581 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.035 -27.603 -13.077 1.00 0.00 C ATOM 1947 C ASN A 117 -0.489 -29.091 -13.151 1.00 0.00 C ATOM 1948 O ASN A 117 0.340 -29.999 -13.104 1.00 0.00 O ATOM 1949 CB ASN A 117 0.317 -27.235 -11.619 1.00 0.00 C ATOM 1950 CG ASN A 117 1.739 -27.600 -11.206 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.448 -26.805 -10.612 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.207 -28.795 -11.494 1.00 0.00 N ATOM 0 H ASN A 117 -1.500 -26.103 -12.869 1.00 0.00 H new ATOM 0 HA ASN A 117 0.847 -27.485 -13.707 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.175 -26.163 -11.483 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.383 -27.736 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.156 -29.051 -11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.621 -29.466 -11.991 1.00 0.00 H new ATOM 1959 N MET A 118 -1.808 -29.317 -13.306 1.00 0.00 N ATOM 1960 CA MET A 118 -2.351 -30.674 -13.491 1.00 0.00 C ATOM 1961 C MET A 118 -2.201 -31.132 -14.958 1.00 0.00 C ATOM 1962 O MET A 118 -2.236 -32.326 -15.245 1.00 0.00 O ATOM 1963 CB MET A 118 -3.843 -30.709 -13.095 1.00 0.00 C ATOM 1964 CG MET A 118 -4.158 -30.139 -11.706 1.00 0.00 C ATOM 1965 SD MET A 118 -5.932 -30.025 -11.337 1.00 0.00 S ATOM 1966 CE MET A 118 -5.851 -29.128 -9.763 1.00 0.00 C ATOM 0 H MET A 118 -2.513 -28.580 -13.307 1.00 0.00 H new ATOM 0 HA MET A 118 -1.787 -31.352 -12.851 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.414 -30.152 -13.838 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.190 -31.742 -13.135 1.00 0.00 H new ATOM 0 HG2 MET A 118 -3.680 -30.764 -10.952 1.00 0.00 H new ATOM 0 HG3 MET A 118 -3.716 -29.146 -11.624 1.00 0.00 H new ATOM 0 HE1 MET A 118 -6.834 -28.720 -9.526 1.00 0.00 H new ATOM 0 HE2 MET A 118 -5.540 -29.810 -8.971 1.00 0.00 H new ATOM 0 HE3 MET A 118 -5.131 -28.314 -9.845 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.009 -30.168 -15.877 1.00 0.00 N ATOM 1977 CA HIS A 119 -1.791 -30.474 -17.292 1.00 0.00 C ATOM 1978 C HIS A 119 -0.302 -30.689 -17.568 1.00 0.00 C ATOM 1979 O HIS A 119 0.071 -31.263 -18.590 1.00 0.00 O ATOM 1980 CB HIS A 119 -2.318 -29.326 -18.167 1.00 0.00 C ATOM 1981 CG HIS A 119 -3.818 -29.232 -18.297 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.639 -30.196 -18.845 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -4.590 -28.130 -18.037 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -5.881 -29.683 -18.900 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -5.885 -28.431 -18.443 1.00 0.00 N ATOM 0 H HIS A 119 -2.001 -29.172 -15.659 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.331 -31.389 -17.535 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.948 -28.385 -17.759 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.892 -29.430 -19.165 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.356 -31.127 -19.152 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.255 -27.202 -17.599 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.751 -30.210 -19.263 1.00 0.00 H new