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 97 CYS SG : rot -155:sc= -1.59 USER MOD Set 1.2: A 102 CYS SG : rot -178:sc= 0.746 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -150:sc= 1.4 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -0.479 K(o=-0.55,f=-5.4) USER MOD Set 1.5: A 116 HIS : no HE2:sc= 0.0237 K(o=-0.55,f=-9.1!) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -0.656 K(o=-0.55,f=-5.1) USER MOD Set 2.1: A 69 CYS SG : rot 146:sc= 2.92 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 166:sc= 0.00221 (180deg=-0.000431) USER MOD Set 2.3: A 71 THR OG1 : rot 71:sc= 0.559 USER MOD Set 2.4: A 72 CYS SG : rot -54:sc= -0.531 USER MOD Set 2.5: A 85 HIS : no HE2:sc= -0.486 K(o=3.5,f=1.6) USER MOD Set 2.6: A 86 THR OG1 : rot 60:sc= 1.3 USER MOD Set 2.7: A 89 HIS : no HD1:sc= -0.258 K(o=3.5,f=0.72) USER MOD Set 3.1: A 39 CYS SG : rot 98:sc= 1 USER MOD Set 3.2: A 57 HIS :FLIP no HD1:sc= -1.42 F(o=-5.5,f=-0.42) USER MOD Set 3.3: A 61 HIS : no HE2:sc= 0 K(o=-0.42,f=-0.94) USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 1.05 USER MOD Set 4.2: A 51 SER OG : rot -67:sc= 1.45 USER MOD Set 5.1: A 9 CYS SG : rot 70:sc= -0.569! USER MOD Set 5.2: A 14 CYS SG : rot 178:sc= 1.51 USER MOD Set 5.3: A 16 LYS NZ :NH3+ -156:sc= 1.2 (180deg=-1.2) USER MOD Set 5.4: A 18 TYR OH : rot 145:sc= -0.0469 USER MOD Set 5.5: A 27 HIS : no HE2:sc= -2.12 K(o=-3.5,f=-5.5) USER MOD Set 5.6: A 31 HIS : no HE2:sc= -3.49 K(o=-3.5,f=-5.5!) USER MOD Single : A 8 MET CE :methyl -178:sc= -0.014 (180deg=-0.0335) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.184 K(o=0.18,f=-0.81) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00436 USER MOD Single : A 23 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-6.4!) USER MOD Single : A 25 GLN : amide:sc= -0.0534 K(o=-0.053,f=-3.9!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -71:sc= 1.14 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -40:sc= 1.14 USER MOD Single : A 38 GLN : amide:sc= 1.1 K(o=1.1,f=-2.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.805 K(o=0.8,f=-1.8) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.7) USER MOD Single : A 62 THR OG1 : rot -140:sc= -0.387 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0.439 (180deg=0.43) USER MOD Single : A 68 GLN : amide:sc= 0.844 K(o=0.84,f=-0.058) USER MOD Single : A 73 GLN : amide:sc= 0.605 K(o=0.6,f=-0.012) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.0294 K(o=0.029,f=-2.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 67:sc= 1.14 USER MOD Single : A 93 LYS NZ :NH3+ -130:sc= 0.166 (180deg=-0.019) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -2:sc= 1.08 USER MOD Single : A 103 GLN : amide:sc= 1.17 K(o=1.2,f=-0.017) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 1.11 K(o=1.1,f=-0.03) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 13.891 17.845 -6.203 1.00 0.00 N ATOM 98 CA PHE A 7 13.324 16.995 -5.150 1.00 0.00 C ATOM 99 C PHE A 7 14.039 15.642 -5.097 1.00 0.00 C ATOM 100 O PHE A 7 14.606 15.196 -6.082 1.00 0.00 O ATOM 101 CB PHE A 7 11.821 16.769 -5.416 1.00 0.00 C ATOM 102 CG PHE A 7 10.986 18.011 -5.683 1.00 0.00 C ATOM 103 CD1 PHE A 7 10.543 18.816 -4.618 1.00 0.00 C ATOM 104 CD2 PHE A 7 10.650 18.365 -7.005 1.00 0.00 C ATOM 105 CE1 PHE A 7 9.800 19.983 -4.879 1.00 0.00 C ATOM 106 CE2 PHE A 7 9.916 19.538 -7.265 1.00 0.00 C ATOM 107 CZ PHE A 7 9.510 20.356 -6.201 1.00 0.00 C ATOM 0 HA PHE A 7 13.459 17.499 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.722 16.101 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.396 16.251 -4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.773 18.539 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.958 17.732 -7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 7 9.452 20.594 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.666 19.807 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.974 21.273 -6.398 1.00 0.00 H new ATOM 117 N MET A 8 14.057 15.022 -3.917 1.00 0.00 N ATOM 118 CA MET A 8 14.494 13.625 -3.786 1.00 0.00 C ATOM 119 C MET A 8 13.563 12.864 -2.867 1.00 0.00 C ATOM 120 O MET A 8 12.968 13.441 -1.953 1.00 0.00 O ATOM 121 CB MET A 8 15.933 13.543 -3.260 1.00 0.00 C ATOM 122 CG MET A 8 16.144 14.044 -1.826 1.00 0.00 C ATOM 123 SD MET A 8 17.858 13.887 -1.253 1.00 0.00 S ATOM 124 CE MET A 8 17.917 12.104 -0.919 1.00 0.00 C ATOM 0 H MET A 8 13.776 15.460 -3.040 1.00 0.00 H new ATOM 0 HA MET A 8 14.465 13.171 -4.777 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.262 12.505 -3.315 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.577 14.118 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.843 15.090 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.492 13.486 -1.154 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.897 11.840 -0.522 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.149 11.845 -0.190 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.740 11.555 -1.844 1.00 0.00 H new ATOM 134 N CYS A 9 13.498 11.557 -3.063 1.00 0.00 N ATOM 135 CA CYS A 9 12.819 10.674 -2.120 1.00 0.00 C ATOM 136 C CYS A 9 13.642 10.562 -0.807 1.00 0.00 C ATOM 137 O CYS A 9 14.812 10.956 -0.759 1.00 0.00 O ATOM 138 CB CYS A 9 12.630 9.285 -2.746 1.00 0.00 C ATOM 139 SG CYS A 9 11.668 8.219 -1.641 1.00 0.00 S ATOM 0 H CYS A 9 13.907 11.081 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 9 11.840 11.092 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.121 9.378 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.602 8.833 -2.943 1.00 0.00 H new ATOM 0 HG CYS A 9 10.437 8.636 -1.599 1.00 0.00 H new ATOM 144 N ALA A 10 13.016 10.019 0.239 1.00 0.00 N ATOM 145 CA ALA A 10 13.675 9.833 1.540 1.00 0.00 C ATOM 146 C ALA A 10 13.752 8.336 1.917 1.00 0.00 C ATOM 147 O ALA A 10 14.481 7.959 2.835 1.00 0.00 O ATOM 148 CB ALA A 10 12.905 10.608 2.618 1.00 0.00 C ATOM 0 H ALA A 10 12.048 9.698 0.213 1.00 0.00 H new ATOM 0 HA ALA A 10 14.694 10.214 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.393 10.471 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.893 11.668 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.882 10.236 2.672 1.00 0.00 H new ATOM 154 N TYR A 11 12.962 7.498 1.227 1.00 0.00 N ATOM 155 CA TYR A 11 12.907 6.068 1.522 1.00 0.00 C ATOM 156 C TYR A 11 14.274 5.396 1.219 1.00 0.00 C ATOM 157 O TYR A 11 14.823 5.563 0.130 1.00 0.00 O ATOM 158 CB TYR A 11 11.809 5.414 0.691 1.00 0.00 C ATOM 159 CG TYR A 11 11.454 4.015 1.145 1.00 0.00 C ATOM 160 CD1 TYR A 11 10.616 3.822 2.262 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.944 2.908 0.434 1.00 0.00 C ATOM 162 CE1 TYR A 11 10.295 2.519 2.687 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.615 1.609 0.847 1.00 0.00 C ATOM 164 CZ TYR A 11 10.826 1.407 1.997 1.00 0.00 C ATOM 165 OH TYR A 11 10.598 0.139 2.425 1.00 0.00 O ATOM 0 H TYR A 11 12.355 7.792 0.462 1.00 0.00 H new ATOM 0 HA TYR A 11 12.685 5.937 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.916 6.037 0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.127 5.379 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.220 4.675 2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.574 3.057 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.646 2.370 3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.968 0.759 0.281 1.00 0.00 H new ATOM 0 HH TYR A 11 11.042 -0.494 1.823 1.00 0.00 H new ATOM 175 N PRO A 12 14.832 4.627 2.194 1.00 0.00 N ATOM 176 CA PRO A 12 16.164 4.010 2.064 1.00 0.00 C ATOM 177 C PRO A 12 16.347 3.233 0.745 1.00 0.00 C ATOM 178 O PRO A 12 17.427 3.247 0.159 1.00 0.00 O ATOM 179 CB PRO A 12 16.243 3.062 3.267 1.00 0.00 C ATOM 180 CG PRO A 12 15.379 3.744 4.327 1.00 0.00 C ATOM 181 CD PRO A 12 14.259 4.389 3.514 1.00 0.00 C ATOM 0 HA PRO A 12 16.951 4.764 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.864 2.070 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.270 2.935 3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.989 3.027 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 12 15.945 4.486 4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.389 3.735 3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.926 5.320 3.972 1.00 0.00 H new ATOM 189 N GLY A 13 15.285 2.539 0.304 1.00 0.00 N ATOM 190 CA GLY A 13 15.357 1.715 -0.921 1.00 0.00 C ATOM 191 C GLY A 13 15.208 2.548 -2.217 1.00 0.00 C ATOM 192 O GLY A 13 15.041 1.988 -3.299 1.00 0.00 O ATOM 0 H GLY A 13 14.377 2.529 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.310 1.187 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.574 0.958 -0.890 1.00 0.00 H new ATOM 196 N CYS A 14 15.235 3.883 -2.082 1.00 0.00 N ATOM 197 CA CYS A 14 15.047 4.786 -3.218 1.00 0.00 C ATOM 198 C CYS A 14 16.006 5.991 -3.126 1.00 0.00 C ATOM 199 O CYS A 14 17.111 5.956 -3.679 1.00 0.00 O ATOM 200 CB CYS A 14 13.594 5.265 -3.253 1.00 0.00 C ATOM 201 SG CYS A 14 13.314 6.469 -4.569 1.00 0.00 S ATOM 0 H CYS A 14 15.386 4.358 -1.192 1.00 0.00 H new ATOM 0 HA CYS A 14 15.273 4.246 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.933 4.410 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 14 13.335 5.710 -2.292 1.00 0.00 H new ATOM 0 HG CYS A 14 12.062 6.818 -4.579 1.00 0.00 H new ATOM 206 N ASN A 15 15.580 7.046 -2.405 1.00 0.00 N ATOM 207 CA ASN A 15 16.361 8.298 -2.283 1.00 0.00 C ATOM 208 C ASN A 15 16.598 8.953 -3.681 1.00 0.00 C ATOM 209 O ASN A 15 17.539 9.734 -3.860 1.00 0.00 O ATOM 210 CB ASN A 15 17.729 8.017 -1.595 1.00 0.00 C ATOM 211 CG ASN A 15 17.766 6.909 -0.546 1.00 0.00 C ATOM 212 OD1 ASN A 15 17.623 7.132 0.645 1.00 0.00 O ATOM 213 ND2 ASN A 15 18.026 5.693 -0.988 1.00 0.00 N ATOM 0 H ASN A 15 14.696 7.058 -1.896 1.00 0.00 H new ATOM 0 HA ASN A 15 15.786 8.992 -1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.454 7.772 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.066 8.940 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.111 4.918 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.142 5.528 -1.988 1.00 0.00 H new ATOM 220 N LYS A 16 15.748 8.602 -4.664 1.00 0.00 N ATOM 221 CA LYS A 16 15.945 9.033 -6.055 1.00 0.00 C ATOM 222 C LYS A 16 15.491 10.453 -6.247 1.00 0.00 C ATOM 223 O LYS A 16 14.775 11.001 -5.420 1.00 0.00 O ATOM 224 CB LYS A 16 15.161 8.109 -7.008 1.00 0.00 C ATOM 225 CG LYS A 16 15.677 6.660 -6.998 1.00 0.00 C ATOM 226 CD LYS A 16 14.817 5.758 -7.896 1.00 0.00 C ATOM 227 CE LYS A 16 14.948 4.289 -7.474 1.00 0.00 C ATOM 228 NZ LYS A 16 14.002 3.960 -6.389 1.00 0.00 N ATOM 0 H LYS A 16 14.921 8.023 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 16 17.010 8.974 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.108 8.116 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.223 8.504 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.712 6.637 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.670 6.276 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.773 6.067 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.125 5.872 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.761 3.643 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.968 4.092 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.358 3.143 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.907 4.776 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.073 3.729 -6.796 1.00 0.00 H new ATOM 242 N ARG A 17 15.931 11.068 -7.344 1.00 0.00 N ATOM 243 CA ARG A 17 15.700 12.483 -7.566 1.00 0.00 C ATOM 244 C ARG A 17 14.503 12.714 -8.499 1.00 0.00 C ATOM 245 O ARG A 17 14.418 12.129 -9.577 1.00 0.00 O ATOM 246 CB ARG A 17 16.959 13.131 -8.169 1.00 0.00 C ATOM 247 CG ARG A 17 18.266 12.907 -7.380 1.00 0.00 C ATOM 248 CD ARG A 17 18.132 13.279 -5.900 1.00 0.00 C ATOM 249 NE ARG A 17 19.438 13.506 -5.261 1.00 0.00 N ATOM 250 CZ ARG A 17 20.095 12.748 -4.389 1.00 0.00 C ATOM 251 NH1 ARG A 17 19.681 11.576 -3.958 1.00 0.00 N ATOM 252 NH2 ARG A 17 21.243 13.178 -3.917 1.00 0.00 N ATOM 0 H ARG A 17 16.449 10.603 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 17 15.475 12.942 -6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 17 17.095 12.747 -9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 17 16.788 14.204 -8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 17 18.561 11.861 -7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 17 19.063 13.499 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.523 14.179 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.606 12.483 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 17 19.908 14.372 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 17 18.799 11.191 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 17 20.242 11.052 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 17 21.614 14.078 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 17 21.763 12.612 -3.247 1.00 0.00 H new ATOM 266 N TYR A 18 13.609 13.602 -8.071 1.00 0.00 N ATOM 267 CA TYR A 18 12.423 13.962 -8.825 1.00 0.00 C ATOM 268 C TYR A 18 12.465 15.451 -9.221 1.00 0.00 C ATOM 269 O TYR A 18 13.195 16.247 -8.620 1.00 0.00 O ATOM 270 CB TYR A 18 11.182 13.688 -7.975 1.00 0.00 C ATOM 271 CG TYR A 18 10.898 12.215 -7.768 1.00 0.00 C ATOM 272 CD1 TYR A 18 11.551 11.500 -6.746 1.00 0.00 C ATOM 273 CD2 TYR A 18 10.028 11.534 -8.637 1.00 0.00 C ATOM 274 CE1 TYR A 18 11.378 10.108 -6.645 1.00 0.00 C ATOM 275 CE2 TYR A 18 9.935 10.134 -8.598 1.00 0.00 C ATOM 276 CZ TYR A 18 10.666 9.413 -7.637 1.00 0.00 C ATOM 277 OH TYR A 18 10.719 8.056 -7.677 1.00 0.00 O ATOM 0 H TYR A 18 13.693 14.094 -7.181 1.00 0.00 H new ATOM 0 HA TYR A 18 12.386 13.363 -9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.306 14.165 -7.003 1.00 0.00 H new ATOM 0 HB3 TYR A 18 10.318 14.152 -8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 18 12.183 12.019 -6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.427 12.092 -9.340 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.793 9.573 -5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.305 9.613 -9.303 1.00 0.00 H new ATOM 0 HH TYR A 18 9.851 7.703 -7.962 1.00 0.00 H new ATOM 287 N PHE A 19 11.681 15.813 -10.242 1.00 0.00 N ATOM 288 CA PHE A 19 11.731 17.164 -10.824 1.00 0.00 C ATOM 289 C PHE A 19 10.380 17.893 -10.693 1.00 0.00 C ATOM 290 O PHE A 19 10.298 19.101 -10.908 1.00 0.00 O ATOM 291 CB PHE A 19 12.119 17.066 -12.300 1.00 0.00 C ATOM 292 CG PHE A 19 13.577 16.680 -12.475 1.00 0.00 C ATOM 293 CD1 PHE A 19 13.966 15.326 -12.479 1.00 0.00 C ATOM 294 CD2 PHE A 19 14.559 17.687 -12.554 1.00 0.00 C ATOM 295 CE1 PHE A 19 15.327 14.981 -12.551 1.00 0.00 C ATOM 296 CE2 PHE A 19 15.920 17.342 -12.633 1.00 0.00 C ATOM 297 CZ PHE A 19 16.304 15.990 -12.626 1.00 0.00 C ATOM 0 H PHE A 19 11.004 15.192 -10.684 1.00 0.00 H new ATOM 0 HA PHE A 19 12.475 17.740 -10.275 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.486 16.329 -12.794 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.935 18.023 -12.789 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.216 14.550 -12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.266 18.726 -12.554 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.622 13.942 -12.549 1.00 0.00 H new ATOM 0 HE2 PHE A 19 16.670 18.116 -12.699 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.350 15.726 -12.678 1.00 0.00 H new ATOM 307 N LYS A 20 9.336 17.155 -10.292 1.00 0.00 N ATOM 308 CA LYS A 20 8.006 17.734 -10.070 1.00 0.00 C ATOM 309 C LYS A 20 7.515 17.418 -8.657 1.00 0.00 C ATOM 310 O LYS A 20 7.600 16.282 -8.202 1.00 0.00 O ATOM 311 CB LYS A 20 7.011 17.183 -11.108 1.00 0.00 C ATOM 312 CG LYS A 20 7.012 18.060 -12.369 1.00 0.00 C ATOM 313 CD LYS A 20 6.057 17.500 -13.431 1.00 0.00 C ATOM 314 CE LYS A 20 6.078 18.395 -14.673 1.00 0.00 C ATOM 315 NZ LYS A 20 5.171 17.882 -15.720 1.00 0.00 N ATOM 0 H LYS A 20 9.389 16.152 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 20 8.075 18.816 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.278 16.159 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.009 17.152 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.716 19.076 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.022 18.116 -12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.351 16.485 -13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.045 17.444 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.784 19.408 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.093 18.453 -15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.207 18.509 -16.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.468 16.925 -15.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.199 17.850 -15.352 1.00 0.00 H new ATOM 329 N LEU A 21 6.982 18.428 -7.980 1.00 0.00 N ATOM 330 CA LEU A 21 6.524 18.276 -6.598 1.00 0.00 C ATOM 331 C LEU A 21 5.403 17.210 -6.507 1.00 0.00 C ATOM 332 O LEU A 21 5.473 16.300 -5.694 1.00 0.00 O ATOM 333 CB LEU A 21 6.015 19.626 -6.067 1.00 0.00 C ATOM 334 CG LEU A 21 5.469 19.587 -4.628 1.00 0.00 C ATOM 335 CD1 LEU A 21 6.471 19.062 -3.595 1.00 0.00 C ATOM 336 CD2 LEU A 21 5.055 21.002 -4.216 1.00 0.00 C ATOM 0 H LEU A 21 6.855 19.364 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 21 7.363 17.943 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.829 20.349 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.229 19.989 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 21 4.627 18.895 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.011 19.066 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.763 18.045 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.354 19.702 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.667 20.985 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.921 21.663 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.283 21.367 -4.893 1.00 0.00 H new ATOM 348 N SER A 22 4.384 17.344 -7.364 1.00 0.00 N ATOM 349 CA SER A 22 3.235 16.409 -7.396 1.00 0.00 C ATOM 350 C SER A 22 3.639 15.010 -7.884 1.00 0.00 C ATOM 351 O SER A 22 3.102 14.002 -7.424 1.00 0.00 O ATOM 352 CB SER A 22 2.143 16.970 -8.314 1.00 0.00 C ATOM 353 OG SER A 22 2.683 17.337 -9.574 1.00 0.00 O ATOM 0 H SER A 22 4.325 18.094 -8.052 1.00 0.00 H new ATOM 0 HA SER A 22 2.863 16.311 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.360 16.225 -8.452 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.678 17.838 -7.846 1.00 0.00 H new ATOM 0 HG SER A 22 1.970 17.691 -10.145 1.00 0.00 H new ATOM 359 N HIS A 23 4.571 14.963 -8.831 1.00 0.00 N ATOM 360 CA HIS A 23 5.044 13.685 -9.367 1.00 0.00 C ATOM 361 C HIS A 23 5.838 12.926 -8.285 1.00 0.00 C ATOM 362 O HIS A 23 5.599 11.739 -8.045 1.00 0.00 O ATOM 363 CB HIS A 23 5.887 13.919 -10.656 1.00 0.00 C ATOM 364 CG HIS A 23 7.352 13.610 -10.917 1.00 0.00 C ATOM 365 ND1 HIS A 23 7.809 13.097 -12.115 1.00 0.00 N ATOM 366 CD2 HIS A 23 8.452 14.125 -10.290 1.00 0.00 C ATOM 367 CE1 HIS A 23 9.134 13.310 -12.195 1.00 0.00 C ATOM 368 NE2 HIS A 23 9.573 13.946 -11.101 1.00 0.00 N ATOM 0 H HIS A 23 5.012 15.786 -9.242 1.00 0.00 H new ATOM 0 HA HIS A 23 4.191 13.067 -9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.347 13.389 -11.441 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.787 14.984 -10.864 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.237 12.634 -12.821 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.453 14.597 -9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.757 13.010 -13.025 1.00 0.00 H new ATOM 376 N LEU A 24 6.656 13.666 -7.528 1.00 0.00 N ATOM 377 CA LEU A 24 7.325 13.112 -6.353 1.00 0.00 C ATOM 378 C LEU A 24 6.311 12.799 -5.217 1.00 0.00 C ATOM 379 O LEU A 24 6.414 11.775 -4.550 1.00 0.00 O ATOM 380 CB LEU A 24 8.391 14.090 -5.847 1.00 0.00 C ATOM 381 CG LEU A 24 9.286 13.650 -4.660 1.00 0.00 C ATOM 382 CD1 LEU A 24 8.828 14.292 -3.347 1.00 0.00 C ATOM 383 CD2 LEU A 24 9.443 12.138 -4.425 1.00 0.00 C ATOM 0 H LEU A 24 6.868 14.647 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 24 7.800 12.176 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.045 14.332 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.887 15.012 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 24 10.269 14.005 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.477 13.963 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.880 15.377 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.801 13.994 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.093 11.969 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.465 11.696 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.883 11.676 -5.309 1.00 0.00 H new ATOM 395 N GLN A 25 5.320 13.669 -5.035 1.00 0.00 N ATOM 396 CA GLN A 25 4.285 13.464 -4.013 1.00 0.00 C ATOM 397 C GLN A 25 3.557 12.134 -4.248 1.00 0.00 C ATOM 398 O GLN A 25 3.391 11.338 -3.318 1.00 0.00 O ATOM 399 CB GLN A 25 3.280 14.624 -4.052 1.00 0.00 C ATOM 400 CG GLN A 25 1.921 14.459 -3.349 1.00 0.00 C ATOM 401 CD GLN A 25 1.014 15.667 -3.609 1.00 0.00 C ATOM 402 OE1 GLN A 25 1.249 16.487 -4.484 1.00 0.00 O ATOM 403 NE2 GLN A 25 -0.074 15.821 -2.884 1.00 0.00 N ATOM 0 H GLN A 25 5.208 14.524 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 25 4.761 13.432 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.769 15.498 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.083 14.853 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.433 13.551 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.075 14.340 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.295 15.151 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.696 16.610 -3.059 1.00 0.00 H new ATOM 412 N MET A 26 3.190 11.868 -5.511 1.00 0.00 N ATOM 413 CA MET A 26 2.586 10.591 -5.884 1.00 0.00 C ATOM 414 C MET A 26 3.580 9.435 -5.671 1.00 0.00 C ATOM 415 O MET A 26 3.221 8.405 -5.099 1.00 0.00 O ATOM 416 CB MET A 26 2.132 10.629 -7.354 1.00 0.00 C ATOM 417 CG MET A 26 1.355 9.354 -7.733 1.00 0.00 C ATOM 418 SD MET A 26 -0.097 8.980 -6.696 1.00 0.00 S ATOM 419 CE MET A 26 -0.568 7.348 -7.344 1.00 0.00 C ATOM 0 H MET A 26 3.303 12.522 -6.286 1.00 0.00 H new ATOM 0 HA MET A 26 1.718 10.423 -5.246 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.503 11.504 -7.520 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.002 10.734 -8.003 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.026 9.445 -8.768 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.039 8.506 -7.689 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.445 6.983 -6.809 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.800 7.431 -8.406 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.258 6.650 -7.207 1.00 0.00 H new ATOM 429 N HIS A 27 4.859 9.658 -6.032 1.00 0.00 N ATOM 430 CA HIS A 27 5.903 8.639 -5.835 1.00 0.00 C ATOM 431 C HIS A 27 6.000 8.248 -4.350 1.00 0.00 C ATOM 432 O HIS A 27 6.081 7.064 -4.017 1.00 0.00 O ATOM 433 CB HIS A 27 7.277 9.172 -6.322 1.00 0.00 C ATOM 434 CG HIS A 27 8.357 8.260 -5.832 1.00 0.00 C ATOM 435 ND1 HIS A 27 8.478 6.913 -6.120 1.00 0.00 N ATOM 436 CD2 HIS A 27 9.260 8.568 -4.854 1.00 0.00 C ATOM 437 CE1 HIS A 27 9.457 6.427 -5.342 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.968 7.410 -4.596 1.00 0.00 N ATOM 0 H HIS A 27 5.189 10.525 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 27 5.634 7.758 -6.418 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.295 9.226 -7.411 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.441 10.183 -5.950 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.926 6.387 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.394 9.528 -4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.782 5.397 -5.322 1.00 0.00 H new ATOM 446 N SER A 28 5.862 9.240 -3.464 1.00 0.00 N ATOM 447 CA SER A 28 5.950 9.010 -2.024 1.00 0.00 C ATOM 448 C SER A 28 4.884 8.002 -1.567 1.00 0.00 C ATOM 449 O SER A 28 5.155 7.142 -0.722 1.00 0.00 O ATOM 450 CB SER A 28 5.765 10.339 -1.265 1.00 0.00 C ATOM 451 OG SER A 28 4.403 10.687 -1.087 1.00 0.00 O ATOM 0 H SER A 28 5.689 10.211 -3.723 1.00 0.00 H new ATOM 0 HA SER A 28 6.936 8.600 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.246 10.265 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.270 11.136 -1.810 1.00 0.00 H new ATOM 0 HG SER A 28 4.019 10.955 -1.948 1.00 0.00 H new ATOM 457 N ARG A 29 3.694 8.051 -2.208 1.00 0.00 N ATOM 458 CA ARG A 29 2.593 7.137 -1.879 1.00 0.00 C ATOM 459 C ARG A 29 3.040 5.678 -2.002 1.00 0.00 C ATOM 460 O ARG A 29 2.665 4.842 -1.179 1.00 0.00 O ATOM 461 CB ARG A 29 1.391 7.398 -2.807 1.00 0.00 C ATOM 462 CG ARG A 29 0.086 6.856 -2.189 1.00 0.00 C ATOM 463 CD ARG A 29 -1.146 7.077 -3.080 1.00 0.00 C ATOM 464 NE ARG A 29 -1.391 8.502 -3.367 1.00 0.00 N ATOM 465 CZ ARG A 29 -1.998 9.394 -2.591 1.00 0.00 C ATOM 466 NH1 ARG A 29 -2.549 9.098 -1.431 1.00 0.00 N ATOM 467 NH2 ARG A 29 -2.063 10.646 -2.976 1.00 0.00 N ATOM 0 H ARG A 29 3.479 8.714 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 29 2.295 7.320 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.294 8.468 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.564 6.924 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.199 5.789 -1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.080 7.339 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.012 6.539 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.023 6.653 -2.592 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.055 8.844 -4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.523 8.139 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.001 9.828 -0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.650 10.928 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.527 11.337 -2.387 1.00 0.00 H new ATOM 481 N LYS A 30 3.868 5.380 -3.021 1.00 0.00 N ATOM 482 CA LYS A 30 4.387 4.020 -3.222 1.00 0.00 C ATOM 483 C LYS A 30 5.155 3.537 -1.986 1.00 0.00 C ATOM 484 O LYS A 30 5.051 2.374 -1.605 1.00 0.00 O ATOM 485 CB LYS A 30 5.313 3.982 -4.458 1.00 0.00 C ATOM 486 CG LYS A 30 5.777 2.555 -4.819 1.00 0.00 C ATOM 487 CD LYS A 30 7.145 2.169 -4.215 1.00 0.00 C ATOM 488 CE LYS A 30 7.397 0.659 -4.292 1.00 0.00 C ATOM 489 NZ LYS A 30 7.514 0.187 -5.687 1.00 0.00 N ATOM 0 H LYS A 30 4.188 6.059 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 30 3.539 3.355 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.790 4.415 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.187 4.606 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.026 1.842 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.832 2.465 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.938 2.697 -4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.187 2.492 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.311 0.416 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.582 0.130 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.684 -0.839 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.633 0.395 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.308 0.672 -6.152 1.00 0.00 H new ATOM 503 N HIS A 31 5.922 4.441 -1.357 1.00 0.00 N ATOM 504 CA HIS A 31 6.762 4.071 -0.218 1.00 0.00 C ATOM 505 C HIS A 31 5.941 3.986 1.075 1.00 0.00 C ATOM 506 O HIS A 31 6.278 3.214 1.965 1.00 0.00 O ATOM 507 CB HIS A 31 7.910 5.064 -0.058 1.00 0.00 C ATOM 508 CG HIS A 31 8.981 4.760 -1.077 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.493 3.509 -1.361 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.666 5.668 -1.834 1.00 0.00 C ATOM 511 CE1 HIS A 31 10.489 3.667 -2.245 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.645 4.959 -2.539 1.00 0.00 N ATOM 0 H HIS A 31 5.975 5.425 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 31 7.178 3.083 -0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.545 6.083 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.322 5.001 0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.171 2.624 -0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.486 6.732 -1.880 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.080 2.864 -2.659 1.00 0.00 H new ATOM 520 N THR A 32 4.827 4.740 1.158 1.00 0.00 N ATOM 521 CA THR A 32 3.867 4.544 2.271 1.00 0.00 C ATOM 522 C THR A 32 3.386 3.084 2.313 1.00 0.00 C ATOM 523 O THR A 32 3.205 2.516 3.388 1.00 0.00 O ATOM 524 CB THR A 32 2.632 5.466 2.133 1.00 0.00 C ATOM 525 OG1 THR A 32 1.717 5.081 1.131 1.00 0.00 O ATOM 526 CG2 THR A 32 2.959 6.942 1.951 1.00 0.00 C ATOM 0 H THR A 32 4.571 5.469 0.492 1.00 0.00 H new ATOM 0 HA THR A 32 4.393 4.795 3.192 1.00 0.00 H new ATOM 0 HB THR A 32 2.155 5.334 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.208 4.771 0.341 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.034 7.511 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.524 7.298 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.554 7.074 1.047 1.00 0.00 H new ATOM 592 N TYR A 37 7.559 -2.014 9.073 1.00 0.00 N ATOM 593 CA TYR A 37 7.200 -2.324 10.475 1.00 0.00 C ATOM 594 C TYR A 37 7.755 -3.699 10.879 1.00 0.00 C ATOM 595 O TYR A 37 8.090 -4.512 10.026 1.00 0.00 O ATOM 596 CB TYR A 37 5.667 -2.331 10.650 1.00 0.00 C ATOM 597 CG TYR A 37 4.957 -1.007 10.486 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.475 -0.620 9.225 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.723 -0.195 11.615 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.759 0.583 9.091 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.981 0.993 11.492 1.00 0.00 C ATOM 602 CZ TYR A 37 3.486 1.373 10.226 1.00 0.00 C ATOM 603 OH TYR A 37 2.692 2.469 10.097 1.00 0.00 O ATOM 0 HA TYR A 37 7.635 -1.554 11.112 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.246 -3.034 9.931 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.440 -2.718 11.644 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.653 -1.244 8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.115 -0.487 12.578 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.418 0.902 8.117 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.792 1.609 12.358 1.00 0.00 H new ATOM 0 HH TYR A 37 2.597 2.908 10.968 1.00 0.00 H new ATOM 613 N GLN A 38 7.789 -3.965 12.189 1.00 0.00 N ATOM 614 CA GLN A 38 8.081 -5.310 12.707 1.00 0.00 C ATOM 615 C GLN A 38 7.068 -5.691 13.777 1.00 0.00 C ATOM 616 O GLN A 38 6.444 -4.820 14.391 1.00 0.00 O ATOM 617 CB GLN A 38 9.502 -5.361 13.290 1.00 0.00 C ATOM 618 CG GLN A 38 9.764 -4.607 14.614 1.00 0.00 C ATOM 619 CD GLN A 38 10.710 -5.415 15.500 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.917 -5.217 15.497 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.197 -6.346 16.282 1.00 0.00 N ATOM 0 H GLN A 38 7.618 -3.267 12.913 1.00 0.00 H new ATOM 0 HA GLN A 38 8.013 -6.021 11.884 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.764 -6.408 13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.187 -4.967 12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.196 -3.628 14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.823 -4.435 15.136 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.191 -6.512 16.285 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.807 -6.900 16.883 1.00 0.00 H new ATOM 630 N CYS A 39 6.890 -6.996 13.981 1.00 0.00 N ATOM 631 CA CYS A 39 5.958 -7.491 14.991 1.00 0.00 C ATOM 632 C CYS A 39 6.300 -6.922 16.378 1.00 0.00 C ATOM 633 O CYS A 39 7.458 -6.592 16.664 1.00 0.00 O ATOM 634 CB CYS A 39 5.984 -9.015 15.038 1.00 0.00 C ATOM 635 SG CYS A 39 4.242 -9.461 15.153 1.00 0.00 S ATOM 0 H CYS A 39 7.377 -7.726 13.462 1.00 0.00 H new ATOM 0 HA CYS A 39 4.957 -7.160 14.716 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.448 -9.436 14.146 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.550 -9.381 15.895 1.00 0.00 H new ATOM 0 HG CYS A 39 3.796 -9.775 13.973 1.00 0.00 H new ATOM 731 N ARG A 46 8.654 -10.724 12.827 1.00 0.00 N ATOM 732 CA ARG A 46 8.255 -10.686 11.417 1.00 0.00 C ATOM 733 C ARG A 46 8.019 -9.251 10.976 1.00 0.00 C ATOM 734 O ARG A 46 7.369 -8.476 11.675 1.00 0.00 O ATOM 735 CB ARG A 46 6.970 -11.517 11.208 1.00 0.00 C ATOM 736 CG ARG A 46 7.225 -12.936 10.660 1.00 0.00 C ATOM 737 CD ARG A 46 8.219 -13.812 11.439 1.00 0.00 C ATOM 738 NE ARG A 46 7.766 -14.080 12.810 1.00 0.00 N ATOM 739 CZ ARG A 46 8.091 -15.080 13.619 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.881 -16.067 13.251 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.616 -15.091 14.839 1.00 0.00 N ATOM 0 HA ARG A 46 9.057 -11.113 10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.441 -11.595 12.158 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.313 -10.985 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.270 -13.461 10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.584 -12.845 9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.358 -14.756 10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.190 -13.318 11.469 1.00 0.00 H new ATOM 0 HE ARG A 46 7.109 -13.401 13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.271 -16.084 12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.103 -16.815 13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.005 -14.338 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.857 -15.853 15.473 1.00 0.00 H new ATOM 755 N ARG A 47 8.580 -8.889 9.821 1.00 0.00 N ATOM 756 CA ARG A 47 8.459 -7.533 9.296 1.00 0.00 C ATOM 757 C ARG A 47 7.279 -7.430 8.318 1.00 0.00 C ATOM 758 O ARG A 47 6.947 -8.391 7.628 1.00 0.00 O ATOM 759 CB ARG A 47 9.763 -7.125 8.580 1.00 0.00 C ATOM 760 CG ARG A 47 10.842 -6.494 9.475 1.00 0.00 C ATOM 761 CD ARG A 47 11.417 -7.412 10.557 1.00 0.00 C ATOM 762 NE ARG A 47 12.451 -6.694 11.323 1.00 0.00 N ATOM 763 CZ ARG A 47 12.642 -6.745 12.636 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.098 -7.663 13.401 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.370 -5.823 13.216 1.00 0.00 N ATOM 0 H ARG A 47 9.123 -9.520 9.232 1.00 0.00 H new ATOM 0 HA ARG A 47 8.278 -6.858 10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.185 -8.008 8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.516 -6.419 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.660 -6.150 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.420 -5.612 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.622 -7.745 11.225 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.844 -8.305 10.100 1.00 0.00 H new ATOM 0 HE ARG A 47 13.084 -6.097 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.498 -8.379 12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.275 -7.660 14.406 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.784 -5.075 12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.523 -5.853 14.224 1.00 0.00 H new ATOM 779 N PHE A 48 6.702 -6.231 8.231 1.00 0.00 N ATOM 780 CA PHE A 48 5.601 -5.947 7.307 1.00 0.00 C ATOM 781 C PHE A 48 5.834 -4.615 6.606 1.00 0.00 C ATOM 782 O PHE A 48 6.658 -3.819 7.040 1.00 0.00 O ATOM 783 CB PHE A 48 4.274 -5.902 8.078 1.00 0.00 C ATOM 784 CG PHE A 48 3.924 -7.273 8.589 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.385 -8.204 7.687 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.329 -7.675 9.878 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.334 -9.556 8.039 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.278 -9.034 10.231 1.00 0.00 C ATOM 789 CZ PHE A 48 3.846 -9.975 9.279 1.00 0.00 C ATOM 0 H PHE A 48 6.983 -5.430 8.797 1.00 0.00 H new ATOM 0 HA PHE A 48 5.556 -6.738 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.353 -5.204 8.912 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.480 -5.534 7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.012 -7.878 6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.677 -6.942 10.591 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.902 -10.276 7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.567 -9.352 11.222 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.908 -11.030 9.503 1.00 0.00 H new ATOM 799 N SER A 49 5.127 -4.393 5.497 1.00 0.00 N ATOM 800 CA SER A 49 5.373 -3.215 4.653 1.00 0.00 C ATOM 801 C SER A 49 4.297 -2.130 4.863 1.00 0.00 C ATOM 802 O SER A 49 4.364 -1.065 4.255 1.00 0.00 O ATOM 803 CB SER A 49 5.400 -3.635 3.174 1.00 0.00 C ATOM 804 OG SER A 49 6.356 -4.660 2.986 1.00 0.00 O ATOM 0 H SER A 49 4.384 -5.006 5.161 1.00 0.00 H new ATOM 0 HA SER A 49 6.336 -2.793 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.414 -3.984 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.644 -2.777 2.547 1.00 0.00 H new ATOM 0 HG SER A 49 6.369 -4.926 2.043 1.00 0.00 H new ATOM 810 N ARG A 50 3.329 -2.396 5.758 1.00 0.00 N ATOM 811 CA ARG A 50 2.302 -1.402 6.118 1.00 0.00 C ATOM 812 C ARG A 50 1.730 -1.685 7.506 1.00 0.00 C ATOM 813 O ARG A 50 1.783 -2.819 7.995 1.00 0.00 O ATOM 814 CB ARG A 50 1.160 -1.420 5.087 1.00 0.00 C ATOM 815 CG ARG A 50 1.396 -0.556 3.846 1.00 0.00 C ATOM 816 CD ARG A 50 0.100 -0.354 3.053 1.00 0.00 C ATOM 817 NE ARG A 50 -0.392 -1.607 2.458 1.00 0.00 N ATOM 818 CZ ARG A 50 0.055 -2.181 1.347 1.00 0.00 C ATOM 819 NH1 ARG A 50 1.135 -1.787 0.714 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.514 -3.242 0.864 1.00 0.00 N ATOM 0 H ARG A 50 3.236 -3.288 6.244 1.00 0.00 H new ATOM 0 HA ARG A 50 2.775 -0.420 6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.994 -2.449 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.244 -1.086 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.796 0.413 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.145 -1.027 3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.665 0.058 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.270 0.378 2.264 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.151 -2.081 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.678 -1.001 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.431 -2.266 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.319 -3.650 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.156 -3.668 0.009 1.00 0.00 H new ATOM 834 N SER A 51 1.110 -0.661 8.102 1.00 0.00 N ATOM 835 CA SER A 51 0.473 -0.787 9.411 1.00 0.00 C ATOM 836 C SER A 51 -0.642 -1.835 9.371 1.00 0.00 C ATOM 837 O SER A 51 -0.741 -2.677 10.255 1.00 0.00 O ATOM 838 CB SER A 51 -0.117 0.573 9.844 1.00 0.00 C ATOM 839 OG SER A 51 0.382 1.665 9.085 1.00 0.00 O ATOM 0 H SER A 51 1.037 0.270 7.692 1.00 0.00 H new ATOM 0 HA SER A 51 1.229 -1.103 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.202 0.538 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.105 0.739 10.898 1.00 0.00 H new ATOM 0 HG SER A 51 1.334 1.791 9.280 1.00 0.00 H new ATOM 845 N ASP A 52 -1.466 -1.785 8.314 1.00 0.00 N ATOM 846 CA ASP A 52 -2.588 -2.716 8.156 1.00 0.00 C ATOM 847 C ASP A 52 -2.089 -4.166 7.990 1.00 0.00 C ATOM 848 O ASP A 52 -2.730 -5.100 8.454 1.00 0.00 O ATOM 849 CB ASP A 52 -3.443 -2.312 6.944 1.00 0.00 C ATOM 850 CG ASP A 52 -2.815 -2.563 5.576 1.00 0.00 C ATOM 851 OD1 ASP A 52 -2.061 -1.677 5.123 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.059 -3.650 5.004 1.00 0.00 O ATOM 0 H ASP A 52 -1.375 -1.108 7.556 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.197 -2.667 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.388 -2.852 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.678 -1.251 7.026 1.00 0.00 H new ATOM 857 N GLN A 53 -0.930 -4.336 7.335 1.00 0.00 N ATOM 858 CA GLN A 53 -0.338 -5.668 7.130 1.00 0.00 C ATOM 859 C GLN A 53 0.189 -6.238 8.452 1.00 0.00 C ATOM 860 O GLN A 53 -0.028 -7.407 8.762 1.00 0.00 O ATOM 861 CB GLN A 53 0.806 -5.582 6.111 1.00 0.00 C ATOM 862 CG GLN A 53 0.278 -5.156 4.735 1.00 0.00 C ATOM 863 CD GLN A 53 -0.635 -6.215 4.149 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.171 -7.212 3.624 1.00 0.00 O ATOM 865 NE2 GLN A 53 -1.943 -6.038 4.157 1.00 0.00 N ATOM 0 H GLN A 53 -0.385 -3.570 6.939 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.113 -6.333 6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.554 -4.868 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.302 -6.549 6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.263 -4.214 4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.115 -4.979 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.343 -5.207 4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.554 -6.732 3.727 1.00 0.00 H new ATOM 874 N LEU A 54 0.819 -5.382 9.257 1.00 0.00 N ATOM 875 CA LEU A 54 1.231 -5.754 10.607 1.00 0.00 C ATOM 876 C LEU A 54 -0.013 -6.036 11.501 1.00 0.00 C ATOM 877 O LEU A 54 -0.047 -7.022 12.230 1.00 0.00 O ATOM 878 CB LEU A 54 2.085 -4.617 11.213 1.00 0.00 C ATOM 879 CG LEU A 54 2.440 -4.678 12.705 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.125 -5.979 13.113 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.408 -3.538 13.046 1.00 0.00 C ATOM 0 H LEU A 54 1.055 -4.425 8.995 1.00 0.00 H new ATOM 0 HA LEU A 54 1.826 -6.666 10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.019 -4.570 10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.560 -3.679 11.036 1.00 0.00 H new ATOM 0 HG LEU A 54 1.495 -4.600 13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.347 -5.954 14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.465 -6.820 12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.052 -6.094 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.661 -3.580 14.105 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.316 -3.642 12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.936 -2.581 12.823 1.00 0.00 H new ATOM 893 N LYS A 55 -1.062 -5.200 11.365 1.00 0.00 N ATOM 894 CA LYS A 55 -2.338 -5.411 12.095 1.00 0.00 C ATOM 895 C LYS A 55 -3.024 -6.713 11.645 1.00 0.00 C ATOM 896 O LYS A 55 -3.588 -7.437 12.463 1.00 0.00 O ATOM 897 CB LYS A 55 -3.286 -4.217 11.865 1.00 0.00 C ATOM 898 CG LYS A 55 -3.310 -3.251 13.060 1.00 0.00 C ATOM 899 CD LYS A 55 -1.969 -2.555 13.329 1.00 0.00 C ATOM 900 CE LYS A 55 -2.053 -1.763 14.634 1.00 0.00 C ATOM 901 NZ LYS A 55 -0.787 -1.054 14.905 1.00 0.00 N ATOM 0 H LYS A 55 -1.056 -4.377 10.762 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.109 -5.491 13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.976 -3.677 10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.294 -4.587 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.073 -2.492 12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.607 -3.801 13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.171 -3.294 13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.722 -1.888 12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.871 -1.045 14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.280 -2.438 15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.870 -0.524 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.013 -1.744 14.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.585 -0.394 14.127 1.00 0.00 H new ATOM 915 N ARG A 56 -2.928 -7.028 10.346 1.00 0.00 N ATOM 916 CA ARG A 56 -3.382 -8.323 9.824 1.00 0.00 C ATOM 917 C ARG A 56 -2.583 -9.462 10.469 1.00 0.00 C ATOM 918 O ARG A 56 -3.156 -10.416 10.982 1.00 0.00 O ATOM 919 CB ARG A 56 -3.215 -8.362 8.285 1.00 0.00 C ATOM 920 CG ARG A 56 -3.521 -9.715 7.606 1.00 0.00 C ATOM 921 CD ARG A 56 -2.609 -9.980 6.395 1.00 0.00 C ATOM 922 NE ARG A 56 -3.091 -9.357 5.147 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.474 -9.408 3.967 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.284 -9.948 3.834 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.046 -8.915 2.893 1.00 0.00 N ATOM 0 H ARG A 56 -2.540 -6.404 9.638 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.436 -8.451 10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.866 -7.604 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.190 -8.080 8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.400 -10.519 8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.562 -9.730 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.609 -9.607 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.522 -11.056 6.244 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.971 -8.844 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.809 -10.342 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.835 -9.973 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.970 -8.488 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.566 -8.959 1.994 1.00 0.00 H new ATOM 939 N HIS A 57 -1.256 -9.311 10.503 1.00 0.00 N ATOM 940 CA HIS A 57 -0.374 -10.328 11.073 1.00 0.00 C ATOM 941 C HIS A 57 -0.684 -10.564 12.569 1.00 0.00 C ATOM 942 O HIS A 57 -0.699 -11.700 13.029 1.00 0.00 O ATOM 943 CB HIS A 57 1.080 -9.898 10.912 1.00 0.00 C ATOM 944 CG HIS A 57 1.993 -10.936 11.514 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.693 -10.790 12.672 1.00 0.00 N flip ATOM 946 CD2 HIS A 57 2.181 -12.226 11.078 1.00 0.00 C flip ATOM 947 CE1 HIS A 57 3.305 -12.014 12.956 1.00 0.00 C flip ATOM 948 NE2 HIS A 57 2.995 -12.842 11.955 1.00 0.00 N flip ATOM 0 H HIS A 57 -0.770 -8.491 10.141 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.544 -11.262 10.538 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.314 -9.764 9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.239 -8.935 11.398 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.752 -12.667 10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.912 -12.246 13.819 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.327 -13.802 11.868 1.00 0.00 H new ATOM 956 N GLN A 58 -1.015 -9.489 13.291 1.00 0.00 N ATOM 957 CA GLN A 58 -1.428 -9.591 14.700 1.00 0.00 C ATOM 958 C GLN A 58 -2.590 -10.605 14.863 1.00 0.00 C ATOM 959 O GLN A 58 -2.642 -11.340 15.851 1.00 0.00 O ATOM 960 CB GLN A 58 -1.846 -8.217 15.237 1.00 0.00 C ATOM 961 CG GLN A 58 -0.616 -7.345 15.547 1.00 0.00 C ATOM 962 CD GLN A 58 -0.970 -5.901 15.904 1.00 0.00 C ATOM 963 OE1 GLN A 58 -2.034 -5.379 15.594 1.00 0.00 O ATOM 964 NE2 GLN A 58 -0.080 -5.196 16.571 1.00 0.00 N ATOM 0 H GLN A 58 -1.006 -8.537 12.926 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.576 -9.949 15.277 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.477 -7.714 14.505 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.443 -8.343 16.140 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.063 -7.791 16.374 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.048 -7.345 14.682 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.810 -5.618 16.836 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.281 -4.228 16.823 1.00 0.00 H new ATOM 973 N ARG A 59 -3.526 -10.626 13.892 1.00 0.00 N ATOM 974 CA ARG A 59 -4.662 -11.575 13.931 1.00 0.00 C ATOM 975 C ARG A 59 -4.163 -13.034 14.049 1.00 0.00 C ATOM 976 O ARG A 59 -4.796 -13.854 14.703 1.00 0.00 O ATOM 977 CB ARG A 59 -5.528 -11.430 12.664 1.00 0.00 C ATOM 978 CG ARG A 59 -6.112 -10.040 12.350 1.00 0.00 C ATOM 979 CD ARG A 59 -6.707 -9.293 13.552 1.00 0.00 C ATOM 980 NE ARG A 59 -5.733 -8.350 14.136 1.00 0.00 N ATOM 981 CZ ARG A 59 -5.671 -7.900 15.383 1.00 0.00 C ATOM 982 NH1 ARG A 59 -6.438 -8.368 16.343 1.00 0.00 N ATOM 983 NH2 ARG A 59 -4.815 -6.956 15.699 1.00 0.00 N ATOM 0 H ARG A 59 -3.521 -10.007 13.081 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.263 -11.338 14.809 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.927 -11.742 11.810 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.358 -12.132 12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.326 -9.424 11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.888 -10.152 11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.599 -8.750 13.240 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.020 -10.011 14.310 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.016 -8.000 13.500 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.113 -9.106 16.142 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.358 -7.993 17.288 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.197 -6.568 14.986 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.768 -6.610 16.658 1.00 0.00 H new ATOM 997 N ARG A 60 -2.998 -13.331 13.440 1.00 0.00 N ATOM 998 CA ARG A 60 -2.383 -14.677 13.526 1.00 0.00 C ATOM 999 C ARG A 60 -1.959 -15.006 14.975 1.00 0.00 C ATOM 1000 O ARG A 60 -2.028 -16.157 15.397 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.150 -14.752 12.598 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.523 -16.150 12.509 1.00 0.00 C ATOM 1003 CD ARG A 60 0.721 -16.131 11.609 1.00 0.00 C ATOM 1004 NE ARG A 60 1.280 -17.485 11.457 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.200 -17.894 10.589 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.713 -17.111 9.664 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.624 -19.136 10.628 1.00 0.00 N ATOM 0 H ARG A 60 -2.464 -12.663 12.885 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.127 -15.408 13.210 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.440 -14.430 11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.397 -14.049 12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.251 -16.496 13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.253 -16.857 12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.460 -15.729 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.474 -15.468 12.036 1.00 0.00 H new ATOM 0 HE ARG A 60 0.918 -18.194 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.407 -16.141 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.417 -17.474 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.248 -19.782 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.330 -19.455 9.964 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.535 -13.980 15.728 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.102 -14.160 17.126 1.00 0.00 C ATOM 1023 C HIS A 61 -2.307 -14.168 18.078 1.00 0.00 C ATOM 1024 O HIS A 61 -2.314 -14.884 19.075 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.150 -13.028 17.525 1.00 0.00 C ATOM 1026 CG HIS A 61 1.284 -13.226 17.122 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.207 -13.959 17.830 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.953 -12.556 16.132 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.407 -13.726 17.279 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.302 -12.867 16.255 1.00 0.00 N ATOM 0 H HIS A 61 -1.482 -13.017 15.395 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.590 -15.119 17.202 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.510 -12.099 17.083 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.193 -12.903 18.607 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.015 -14.567 18.626 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.513 -11.905 15.391 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.333 -14.170 17.615 1.00 0.00 H new ATOM 1038 N THR A 62 -3.290 -13.311 17.790 1.00 0.00 N ATOM 1039 CA THR A 62 -4.448 -13.112 18.683 1.00 0.00 C ATOM 1040 C THR A 62 -5.568 -14.132 18.391 1.00 0.00 C ATOM 1041 O THR A 62 -6.461 -14.326 19.211 1.00 0.00 O ATOM 1042 CB THR A 62 -5.024 -11.697 18.511 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.355 -11.476 17.164 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.030 -10.594 18.873 1.00 0.00 C ATOM 0 H THR A 62 -3.312 -12.740 16.945 1.00 0.00 H new ATOM 0 HA THR A 62 -4.092 -13.252 19.704 1.00 0.00 H new ATOM 0 HB THR A 62 -5.886 -11.652 19.177 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.109 -10.561 16.912 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.499 -9.620 18.730 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.730 -10.702 19.915 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.151 -10.671 18.233 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.535 -14.734 17.192 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.594 -15.664 16.767 1.00 0.00 C ATOM 1054 C GLY A 63 -7.890 -14.933 16.352 1.00 0.00 C ATOM 1055 O GLY A 63 -8.893 -15.572 16.027 1.00 0.00 O ATOM 0 H GLY A 63 -4.794 -14.596 16.505 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.234 -16.262 15.930 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.815 -16.355 17.581 1.00 0.00 H new ATOM 1059 N VAL A 64 -7.862 -13.591 16.384 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.047 -12.775 16.087 1.00 0.00 C ATOM 1061 C VAL A 64 -9.388 -12.833 14.590 1.00 0.00 C ATOM 1062 O VAL A 64 -8.692 -12.247 13.759 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.801 -11.310 16.517 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.905 -10.335 16.080 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.733 -11.230 18.050 1.00 0.00 C ATOM 0 H VAL A 64 -7.029 -13.049 16.613 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.891 -13.177 16.648 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.870 -11.019 16.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.658 -9.329 16.420 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.986 -10.341 14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.855 -10.642 16.517 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.560 -10.197 18.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.674 -11.580 18.475 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.917 -11.856 18.411 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.486 -13.532 14.265 1.00 0.00 N ATOM 1076 CA LYS A 65 -10.993 -13.625 12.884 1.00 0.00 C ATOM 1077 C LYS A 65 -12.352 -12.894 12.766 1.00 0.00 C ATOM 1078 O LYS A 65 -13.397 -13.467 13.074 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.155 -15.108 12.487 1.00 0.00 C ATOM 1080 CG LYS A 65 -9.796 -15.818 12.360 1.00 0.00 C ATOM 1081 CD LYS A 65 -9.896 -17.333 12.135 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.562 -18.088 13.293 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.761 -18.018 14.534 1.00 0.00 N ATOM 0 H LYS A 65 -11.045 -14.046 14.946 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.280 -13.150 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.764 -15.619 13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.689 -15.174 11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.243 -15.375 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.217 -15.634 13.265 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.459 -17.519 11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.895 -17.735 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.552 -17.670 13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.704 -19.131 13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.230 -18.569 15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.813 -18.409 14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.676 -17.027 14.837 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.330 -11.582 12.432 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.519 -10.733 12.500 1.00 0.00 C ATOM 1099 C PRO A 66 -14.424 -10.848 11.258 1.00 0.00 C ATOM 1100 O PRO A 66 -15.602 -10.500 11.314 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.940 -9.317 12.613 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.633 -9.392 11.823 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.137 -10.810 12.109 1.00 0.00 C ATOM 0 HA PRO A 66 -14.163 -11.019 13.332 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.618 -8.573 12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.764 -9.039 13.652 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.796 -9.229 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.917 -8.640 12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.622 -11.227 11.244 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.428 -10.818 12.937 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.865 -11.325 10.134 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.618 -11.402 8.877 1.00 0.00 C ATOM 1113 C PHE A 67 -15.505 -12.659 8.850 1.00 0.00 C ATOM 1114 O PHE A 67 -15.121 -13.682 8.301 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.645 -11.414 7.677 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.919 -10.097 7.459 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.530 -9.054 6.736 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.634 -9.905 7.997 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.872 -7.819 6.588 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.960 -8.685 7.821 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.583 -7.638 7.119 1.00 0.00 C ATOM 0 H PHE A 67 -12.903 -11.660 10.072 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.261 -10.525 8.806 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -12.908 -12.203 7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.201 -11.665 6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.505 -9.202 6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.161 -10.703 8.551 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.358 -7.009 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.967 -8.552 8.224 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.072 -6.696 6.988 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.664 -12.588 9.514 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.533 -13.766 9.657 1.00 0.00 C ATOM 1133 C GLN A 68 -18.545 -13.852 8.510 1.00 0.00 C ATOM 1134 O GLN A 68 -19.170 -12.857 8.138 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.278 -13.682 10.998 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.060 -14.960 11.296 1.00 0.00 C ATOM 1137 CD GLN A 68 -19.446 -15.111 12.765 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -19.676 -14.159 13.492 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -19.483 -16.328 13.270 1.00 0.00 N ATOM 0 H GLN A 68 -17.020 -11.741 9.956 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.912 -14.661 9.627 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.563 -13.499 11.800 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.962 -12.833 10.981 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.965 -14.973 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.462 -15.820 10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.293 -17.134 12.674 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.702 -16.464 14.257 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.682 -15.061 7.941 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.555 -15.284 6.788 1.00 0.00 C ATOM 1150 C CYS A 69 -21.031 -15.040 7.150 1.00 0.00 C ATOM 1151 O CYS A 69 -21.579 -15.669 8.062 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.387 -16.717 6.268 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.476 -16.925 4.824 1.00 0.00 S ATOM 0 H CYS A 69 -18.196 -15.897 8.265 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.268 -14.576 6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.349 -16.903 5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.644 -17.437 7.045 1.00 0.00 H new ATOM 0 HG CYS A 69 -19.909 -17.718 3.964 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.673 -14.150 6.389 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.116 -13.876 6.526 1.00 0.00 C ATOM 1160 C LYS A 70 -23.975 -15.145 6.244 1.00 0.00 C ATOM 1161 O LYS A 70 -25.187 -15.128 6.443 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.522 -12.753 5.543 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.571 -13.128 4.038 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.238 -13.590 3.419 1.00 0.00 C ATOM 1165 CE LYS A 70 -22.403 -14.020 1.962 1.00 0.00 C ATOM 1166 NZ LYS A 70 -21.178 -14.692 1.482 1.00 0.00 N ATOM 0 H LYS A 70 -21.215 -13.599 5.663 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.302 -13.566 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.506 -12.385 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -22.823 -11.925 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -24.306 -13.921 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.929 -12.264 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.511 -12.780 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.837 -14.421 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.255 -14.693 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.615 -13.150 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.379 -15.184 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.432 -13.984 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.859 -15.382 2.192 1.00 0.00 H new ATOM 1180 N THR A 71 -23.336 -16.209 5.728 1.00 0.00 N ATOM 1181 CA THR A 71 -24.054 -17.422 5.293 1.00 0.00 C ATOM 1182 C THR A 71 -23.855 -18.571 6.299 1.00 0.00 C ATOM 1183 O THR A 71 -24.816 -19.035 6.909 1.00 0.00 O ATOM 1184 CB THR A 71 -23.566 -17.890 3.895 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.750 -16.942 3.240 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.730 -18.189 2.956 1.00 0.00 C ATOM 0 H THR A 71 -22.325 -16.255 5.602 1.00 0.00 H new ATOM 0 HA THR A 71 -25.112 -17.166 5.239 1.00 0.00 H new ATOM 0 HB THR A 71 -22.987 -18.790 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.884 -16.886 3.695 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.344 -18.513 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.348 -18.979 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.331 -17.289 2.823 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.602 -19.045 6.437 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.297 -20.219 7.279 1.00 0.00 C ATOM 1196 C CYS A 72 -21.600 -19.804 8.599 1.00 0.00 C ATOM 1197 O CYS A 72 -21.251 -20.657 9.418 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.398 -21.183 6.506 1.00 0.00 C ATOM 1199 SG CYS A 72 -19.844 -20.350 6.128 1.00 0.00 S ATOM 0 H CYS A 72 -21.788 -18.636 5.979 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.238 -20.708 7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.212 -22.081 7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -21.889 -21.502 5.587 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.090 -19.229 5.518 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.434 -18.482 8.801 1.00 0.00 N ATOM 1205 CA GLN A 73 -20.855 -17.925 10.048 1.00 0.00 C ATOM 1206 C GLN A 73 -19.374 -18.351 10.237 1.00 0.00 C ATOM 1207 O GLN A 73 -18.809 -18.184 11.324 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.701 -18.355 11.273 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.157 -17.856 11.187 1.00 0.00 C ATOM 1210 CD GLN A 73 -23.298 -16.351 11.424 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -23.705 -15.915 12.489 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -22.965 -15.492 10.478 1.00 0.00 N ATOM 0 H GLN A 73 -21.693 -17.773 8.115 1.00 0.00 H new ATOM 0 HA GLN A 73 -20.876 -16.838 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.697 -19.442 11.350 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.241 -17.969 12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.560 -18.101 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -23.760 -18.390 11.921 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -22.622 -15.831 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.051 -14.490 10.646 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.736 -18.830 9.155 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.298 -19.127 9.169 1.00 0.00 C ATOM 1223 C ARG A 74 -16.490 -17.848 9.348 1.00 0.00 C ATOM 1224 O ARG A 74 -16.628 -16.904 8.570 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.883 -19.808 7.860 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.077 -21.332 7.889 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.366 -21.980 6.693 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.900 -21.810 6.793 1.00 0.00 N ATOM 1229 CZ ARG A 74 -14.080 -22.465 7.607 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.450 -23.539 8.270 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.849 -22.041 7.784 1.00 0.00 N ATOM 0 H ARG A 74 -19.194 -19.018 8.263 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.098 -19.797 10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.464 -19.389 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.836 -19.584 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.682 -21.738 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.140 -21.571 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.611 -23.041 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.725 -21.533 5.766 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.476 -21.119 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.399 -23.899 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.788 -24.012 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.522 -21.207 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.221 -22.545 8.410 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.673 -17.805 10.405 1.00 0.00 N ATOM 1246 CA LYS A 75 -14.888 -16.617 10.723 1.00 0.00 C ATOM 1247 C LYS A 75 -13.541 -16.638 9.991 1.00 0.00 C ATOM 1248 O LYS A 75 -12.745 -17.560 10.158 1.00 0.00 O ATOM 1249 CB LYS A 75 -14.649 -16.541 12.239 1.00 0.00 C ATOM 1250 CG LYS A 75 -15.915 -16.131 13.001 1.00 0.00 C ATOM 1251 CD LYS A 75 -15.629 -15.890 14.488 1.00 0.00 C ATOM 1252 CE LYS A 75 -16.891 -15.370 15.182 1.00 0.00 C ATOM 1253 NZ LYS A 75 -16.649 -15.102 16.614 1.00 0.00 N ATOM 0 H LYS A 75 -15.541 -18.582 11.053 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.447 -15.740 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.306 -17.510 12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.854 -15.824 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.329 -15.225 12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.670 -16.910 12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.299 -16.816 14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.819 -15.170 14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.227 -14.457 14.691 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.693 -16.101 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.524 -14.751 17.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.352 -15.980 17.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.901 -14.386 16.712 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.282 -15.580 9.219 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.023 -15.413 8.493 1.00 0.00 C ATOM 1269 C PHE A 76 -11.240 -14.210 9.045 1.00 0.00 C ATOM 1270 O PHE A 76 -11.797 -13.354 9.738 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.315 -15.194 6.990 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.081 -16.319 6.324 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.428 -17.525 6.001 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.456 -16.172 6.055 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.152 -18.591 5.435 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.183 -17.246 5.512 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.533 -18.456 5.211 1.00 0.00 C ATOM 0 H PHE A 76 -13.941 -14.814 9.080 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.422 -16.313 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.880 -14.269 6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.369 -15.057 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.370 -17.632 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.951 -15.236 6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.648 -19.510 5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.242 -17.142 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.096 -19.284 4.807 1.00 0.00 H new ATOM 1287 N SER A 77 -9.944 -14.156 8.738 1.00 0.00 N ATOM 1288 CA SER A 77 -9.072 -13.092 9.248 1.00 0.00 C ATOM 1289 C SER A 77 -8.854 -11.988 8.203 1.00 0.00 C ATOM 1290 O SER A 77 -8.296 -10.937 8.518 1.00 0.00 O ATOM 1291 CB SER A 77 -7.709 -13.684 9.647 1.00 0.00 C ATOM 1292 OG SER A 77 -7.220 -14.496 8.589 1.00 0.00 O ATOM 0 H SER A 77 -9.473 -14.835 8.140 1.00 0.00 H new ATOM 0 HA SER A 77 -9.561 -12.650 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.001 -12.883 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.809 -14.275 10.557 1.00 0.00 H new ATOM 0 HG SER A 77 -6.351 -14.873 8.841 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.286 -12.236 6.950 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.041 -11.296 5.845 1.00 0.00 C ATOM 1300 C ARG A 78 -10.299 -11.092 4.999 1.00 0.00 C ATOM 1301 O ARG A 78 -11.065 -12.032 4.760 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.900 -11.817 4.955 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.639 -12.161 5.765 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.345 -11.922 5.000 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.194 -12.759 3.802 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.034 -13.009 3.209 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.910 -12.604 3.741 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.988 -13.633 2.060 1.00 0.00 N ATOM 0 H ARG A 78 -9.802 -13.074 6.682 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.760 -10.336 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.237 -12.703 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.654 -11.064 4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.628 -11.565 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.685 -13.207 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.297 -10.873 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.502 -12.105 5.667 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.035 -13.174 3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.919 -12.090 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.025 -12.803 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.852 -13.934 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.089 -13.818 1.616 1.00 0.00 H new ATOM 1322 N SER A 79 -10.444 -9.875 4.464 1.00 0.00 N ATOM 1323 CA SER A 79 -11.558 -9.540 3.576 1.00 0.00 C ATOM 1324 C SER A 79 -11.431 -10.277 2.237 1.00 0.00 C ATOM 1325 O SER A 79 -12.418 -10.732 1.685 1.00 0.00 O ATOM 1326 CB SER A 79 -11.587 -8.027 3.330 1.00 0.00 C ATOM 1327 OG SER A 79 -10.322 -7.571 2.883 1.00 0.00 O ATOM 0 H SER A 79 -9.799 -9.103 4.633 1.00 0.00 H new ATOM 0 HA SER A 79 -12.486 -9.852 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.349 -7.788 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.863 -7.509 4.248 1.00 0.00 H new ATOM 0 HG SER A 79 -10.359 -6.604 2.729 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.198 -10.384 1.726 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.935 -11.064 0.442 1.00 0.00 C ATOM 1335 C ASP A 80 -10.313 -12.581 0.515 1.00 0.00 C ATOM 1336 O ASP A 80 -10.838 -13.146 -0.449 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.451 -10.899 0.067 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.420 -11.133 1.179 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.466 -12.198 1.831 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.599 -10.209 1.373 1.00 0.00 O ATOM 0 H ASP A 80 -9.364 -10.010 2.179 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.557 -10.605 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.230 -11.586 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.310 -9.889 -0.319 1.00 0.00 H new ATOM 1345 N HIS A 81 -10.100 -13.194 1.687 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.483 -14.603 1.917 1.00 0.00 C ATOM 1347 C HIS A 81 -11.994 -14.730 2.123 1.00 0.00 C ATOM 1348 O HIS A 81 -12.608 -15.661 1.622 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.751 -15.171 3.134 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.293 -15.407 2.915 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.416 -15.637 3.933 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.589 -15.363 1.739 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.201 -15.715 3.386 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.243 -15.513 2.061 1.00 0.00 N ATOM 0 H HIS A 81 -9.666 -12.742 2.492 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.198 -15.173 1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.875 -14.485 3.972 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.221 -16.112 3.421 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.644 -15.731 4.923 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.001 -15.236 0.749 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.297 -15.916 3.941 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.599 -13.762 2.828 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.058 -13.739 3.005 1.00 0.00 C ATOM 1364 C LEU A 82 -14.768 -13.496 1.658 1.00 0.00 C ATOM 1365 O LEU A 82 -15.771 -14.135 1.358 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.451 -12.648 4.008 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.987 -12.552 4.179 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.355 -12.356 5.641 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.615 -11.408 3.370 1.00 0.00 C ATOM 0 H LEU A 82 -12.106 -12.992 3.281 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.371 -14.709 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.990 -12.858 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.062 -11.687 3.671 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.383 -13.495 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.439 -12.291 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.988 -13.200 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.902 -11.436 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.693 -11.396 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.188 -10.458 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.411 -11.557 2.310 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.225 -12.576 0.849 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.740 -12.313 -0.508 1.00 0.00 C ATOM 1383 C LYS A 83 -14.527 -13.535 -1.413 1.00 0.00 C ATOM 1384 O LYS A 83 -15.376 -13.863 -2.232 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.024 -11.087 -1.105 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.613 -10.599 -2.438 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.970 -9.262 -2.844 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.561 -8.683 -4.134 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.162 -9.461 -5.325 1.00 0.00 N ATOM 0 H LYS A 83 -13.426 -11.998 1.109 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.810 -12.113 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.063 -10.271 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.972 -11.331 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.441 -11.344 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.692 -10.479 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.100 -8.542 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.897 -9.405 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.648 -8.667 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.234 -7.650 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.583 -9.035 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.126 -9.455 -5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.496 -10.441 -5.227 1.00 0.00 H new ATOM 1403 N THR A 84 -13.402 -14.226 -1.219 1.00 0.00 N ATOM 1404 CA THR A 84 -13.114 -15.464 -1.953 1.00 0.00 C ATOM 1405 C THR A 84 -14.098 -16.572 -1.552 1.00 0.00 C ATOM 1406 O THR A 84 -14.793 -17.129 -2.401 1.00 0.00 O ATOM 1407 CB THR A 84 -11.678 -15.932 -1.660 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.796 -14.981 -2.223 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.258 -17.306 -2.151 1.00 0.00 C ATOM 0 H THR A 84 -12.674 -13.951 -0.560 1.00 0.00 H new ATOM 0 HA THR A 84 -13.222 -15.260 -3.018 1.00 0.00 H new ATOM 0 HB THR A 84 -11.639 -16.018 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.436 -14.408 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.222 -17.492 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.898 -18.065 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.352 -17.349 -3.236 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.264 -16.766 -0.246 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.243 -17.709 0.281 1.00 0.00 C ATOM 1419 C HIS A 85 -16.675 -17.298 -0.128 1.00 0.00 C ATOM 1420 O HIS A 85 -17.496 -18.139 -0.459 1.00 0.00 O ATOM 1421 CB HIS A 85 -15.130 -17.761 1.805 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.225 -18.564 2.427 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.372 -19.935 2.381 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.313 -18.033 3.058 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.548 -20.224 2.960 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.130 -19.099 3.391 1.00 0.00 N ATOM 0 H HIS A 85 -13.727 -16.277 0.471 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.039 -18.696 -0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.166 -18.189 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.154 -16.747 2.204 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -15.712 -20.603 1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.499 -16.988 3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -17.962 -21.216 3.063 1.00 0.00 H new ATOM 1434 N THR A 86 -16.924 -15.993 -0.194 1.00 0.00 N ATOM 1435 CA THR A 86 -18.200 -15.473 -0.677 1.00 0.00 C ATOM 1436 C THR A 86 -18.486 -15.978 -2.099 1.00 0.00 C ATOM 1437 O THR A 86 -19.595 -16.424 -2.385 1.00 0.00 O ATOM 1438 CB THR A 86 -18.211 -13.933 -0.668 1.00 0.00 C ATOM 1439 OG1 THR A 86 -18.196 -13.518 0.677 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.407 -13.257 -1.329 1.00 0.00 C ATOM 0 H THR A 86 -16.256 -15.273 0.082 1.00 0.00 H new ATOM 0 HA THR A 86 -18.978 -15.833 -0.004 1.00 0.00 H new ATOM 0 HB THR A 86 -17.341 -13.636 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.386 -13.855 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.298 -12.175 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.456 -13.549 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.323 -13.564 -0.824 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.448 -15.999 -2.968 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.600 -16.539 -4.339 1.00 0.00 C ATOM 1450 C ARG A 87 -17.886 -18.056 -4.304 1.00 0.00 C ATOM 1451 O ARG A 87 -18.539 -18.586 -5.199 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.330 -16.269 -5.168 1.00 0.00 C ATOM 1453 CG ARG A 87 -16.108 -14.779 -5.484 1.00 0.00 C ATOM 1454 CD ARG A 87 -15.066 -14.538 -6.590 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.719 -15.030 -6.247 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.847 -14.504 -5.398 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -13.085 -13.409 -4.707 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.706 -15.116 -5.197 1.00 0.00 N ATOM 0 H ARG A 87 -16.513 -15.655 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.446 -16.034 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.464 -16.650 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.391 -16.825 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.056 -14.334 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.789 -14.266 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.400 -15.026 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.011 -13.470 -6.800 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.421 -15.882 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.976 -12.923 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.379 -13.046 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.499 -15.984 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.025 -14.724 -4.547 1.00 0.00 H new ATOM 1472 N THR A 88 -17.485 -18.719 -3.206 1.00 0.00 N ATOM 1473 CA THR A 88 -17.798 -20.152 -2.994 1.00 0.00 C ATOM 1474 C THR A 88 -19.297 -20.348 -2.679 1.00 0.00 C ATOM 1475 O THR A 88 -19.878 -21.369 -3.034 1.00 0.00 O ATOM 1476 CB THR A 88 -16.961 -20.740 -1.834 1.00 0.00 C ATOM 1477 OG1 THR A 88 -15.589 -20.509 -2.085 1.00 0.00 O ATOM 1478 CG2 THR A 88 -17.141 -22.243 -1.663 1.00 0.00 C ATOM 0 H THR A 88 -16.946 -18.293 -2.452 1.00 0.00 H new ATOM 0 HA THR A 88 -17.549 -20.675 -3.917 1.00 0.00 H new ATOM 0 HB THR A 88 -17.307 -20.247 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.055 -20.879 -1.351 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.526 -22.591 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.188 -22.463 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.837 -22.752 -2.578 1.00 0.00 H new ATOM 1486 N HIS A 89 -19.933 -19.318 -2.090 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.391 -19.328 -1.862 1.00 0.00 C ATOM 1488 C HIS A 89 -22.139 -18.688 -3.055 1.00 0.00 C ATOM 1489 O HIS A 89 -23.345 -18.867 -3.207 1.00 0.00 O ATOM 1490 CB HIS A 89 -21.725 -18.555 -0.570 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.613 -19.359 0.703 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.294 -20.524 0.988 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -20.923 -19.000 1.831 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -22.006 -20.862 2.259 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.180 -19.965 2.810 1.00 0.00 N ATOM 0 H HIS A 89 -19.464 -18.473 -1.765 1.00 0.00 H new ATOM 0 HA HIS A 89 -21.715 -20.364 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.060 -17.694 -0.498 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -22.741 -18.168 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.294 -18.129 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.389 -21.736 2.764 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.810 -19.982 3.760 1.00 0.00 H new ATOM 1503 N THR A 90 -21.409 -17.910 -3.868 1.00 0.00 N ATOM 1504 CA THR A 90 -22.018 -17.127 -4.963 1.00 0.00 C ATOM 1505 C THR A 90 -21.876 -17.852 -6.321 1.00 0.00 C ATOM 1506 O THR A 90 -22.449 -17.422 -7.317 1.00 0.00 O ATOM 1507 CB THR A 90 -21.345 -15.739 -5.072 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.297 -15.129 -3.800 1.00 0.00 O ATOM 1509 CG2 THR A 90 -22.034 -14.719 -5.970 1.00 0.00 C ATOM 0 H THR A 90 -20.397 -17.804 -3.791 1.00 0.00 H new ATOM 0 HA THR A 90 -23.076 -17.013 -4.729 1.00 0.00 H new ATOM 0 HB THR A 90 -20.373 -15.971 -5.507 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.690 -15.633 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.468 -13.788 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.085 -15.106 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 90 -23.043 -14.533 -5.602 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.132 -18.973 -6.340 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.893 -19.709 -7.597 1.00 0.00 C ATOM 1519 C GLY A 91 -20.083 -18.880 -8.622 1.00 0.00 C ATOM 1520 O GLY A 91 -20.020 -19.227 -9.800 1.00 0.00 O ATOM 0 H GLY A 91 -20.693 -19.384 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.358 -20.633 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.850 -19.991 -8.037 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.488 -17.772 -8.158 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.779 -16.841 -9.036 1.00 0.00 C ATOM 1526 C GLU A 92 -17.389 -17.389 -9.403 1.00 0.00 C ATOM 1527 O GLU A 92 -16.432 -17.250 -8.640 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.641 -15.477 -8.339 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.082 -14.377 -9.252 1.00 0.00 C ATOM 1530 CD GLU A 92 -18.033 -13.032 -8.520 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -19.126 -12.503 -8.217 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.905 -12.561 -8.254 1.00 0.00 O ATOM 0 H GLU A 92 -19.486 -17.501 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.353 -16.722 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.618 -15.168 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.989 -15.585 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.081 -14.650 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.703 -14.288 -10.143 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.298 -18.025 -10.580 1.00 0.00 N ATOM 1540 CA LYS A 93 -16.045 -18.638 -11.049 1.00 0.00 C ATOM 1541 C LYS A 93 -15.639 -18.052 -12.422 1.00 0.00 C ATOM 1542 O LYS A 93 -16.007 -18.590 -13.465 1.00 0.00 O ATOM 1543 CB LYS A 93 -16.222 -20.171 -11.156 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.480 -20.830 -9.783 1.00 0.00 C ATOM 1545 CD LYS A 93 -17.276 -22.142 -9.876 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.492 -23.281 -10.531 1.00 0.00 C ATOM 1547 NZ LYS A 93 -15.407 -23.771 -9.659 1.00 0.00 N ATOM 0 H LYS A 93 -18.080 -18.129 -11.227 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.254 -18.418 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.054 -20.392 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.329 -20.607 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.524 -21.027 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.022 -20.129 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.578 -22.447 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -18.189 -21.965 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.170 -24.102 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.072 -22.937 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.518 -23.808 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.294 -23.127 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.643 -24.723 -9.314 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.939 -16.895 -12.426 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.600 -16.182 -13.654 1.00 0.00 C ATOM 1563 C PRO A 94 -13.299 -16.695 -14.316 1.00 0.00 C ATOM 1564 O PRO A 94 -13.058 -16.435 -15.493 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.429 -14.732 -13.187 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.866 -14.874 -11.770 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.546 -16.138 -11.242 1.00 0.00 C ATOM 0 HA PRO A 94 -15.366 -16.316 -14.418 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.749 -14.180 -13.835 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.378 -14.195 -13.190 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.781 -14.975 -11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.101 -14.005 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.867 -16.716 -10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.413 -15.890 -10.629 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.451 -17.394 -13.542 1.00 0.00 N ATOM 1576 CA PHE A 95 -11.135 -17.836 -14.044 1.00 0.00 C ATOM 1577 C PHE A 95 -11.266 -19.131 -14.873 1.00 0.00 C ATOM 1578 O PHE A 95 -11.013 -20.224 -14.377 1.00 0.00 O ATOM 1579 CB PHE A 95 -10.172 -18.062 -12.869 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.883 -16.831 -12.042 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.960 -15.868 -12.495 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.534 -16.655 -10.813 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.688 -14.732 -11.713 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.268 -15.513 -10.034 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.346 -14.552 -10.484 1.00 0.00 C ATOM 0 H PHE A 95 -12.648 -17.663 -12.578 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.737 -17.054 -14.691 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.589 -18.830 -12.218 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.231 -18.450 -13.258 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.461 -16.003 -13.443 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.239 -17.395 -10.464 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.974 -13.998 -12.056 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.773 -15.375 -9.089 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.143 -13.676 -9.886 1.00 0.00 H new ATOM 1595 N SER A 96 -11.672 -18.990 -16.140 1.00 0.00 N ATOM 1596 CA SER A 96 -11.855 -20.143 -17.043 1.00 0.00 C ATOM 1597 C SER A 96 -10.527 -20.573 -17.675 1.00 0.00 C ATOM 1598 O SER A 96 -9.738 -19.729 -18.118 1.00 0.00 O ATOM 1599 CB SER A 96 -12.844 -19.776 -18.153 1.00 0.00 C ATOM 1600 OG SER A 96 -12.321 -18.710 -18.922 1.00 0.00 O ATOM 0 H SER A 96 -11.882 -18.088 -16.568 1.00 0.00 H new ATOM 0 HA SER A 96 -12.242 -20.974 -16.453 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.028 -20.641 -18.790 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.802 -19.489 -17.720 1.00 0.00 H new ATOM 0 HG SER A 96 -12.954 -18.478 -19.633 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.359 -21.892 -17.848 1.00 0.00 N ATOM 1607 CA CYS A 97 -9.221 -22.438 -18.579 1.00 0.00 C ATOM 1608 C CYS A 97 -9.347 -22.132 -20.071 1.00 0.00 C ATOM 1609 O CYS A 97 -10.427 -21.780 -20.564 1.00 0.00 O ATOM 1610 CB CYS A 97 -9.132 -23.962 -18.366 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.576 -24.666 -18.957 1.00 0.00 S ATOM 0 H CYS A 97 -11.002 -22.597 -17.488 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.313 -21.971 -18.199 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.244 -24.182 -17.304 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.962 -24.445 -18.882 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.748 -25.923 -19.240 1.00 0.00 H new ATOM 1616 N ARG A 98 -8.219 -22.210 -20.769 1.00 0.00 N ATOM 1617 CA ARG A 98 -8.135 -21.831 -22.183 1.00 0.00 C ATOM 1618 C ARG A 98 -7.355 -22.883 -22.976 1.00 0.00 C ATOM 1619 O ARG A 98 -6.953 -22.644 -24.114 1.00 0.00 O ATOM 1620 CB ARG A 98 -7.443 -20.460 -22.308 1.00 0.00 C ATOM 1621 CG ARG A 98 -8.283 -19.329 -21.672 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.528 -18.008 -21.455 1.00 0.00 C ATOM 1623 NE ARG A 98 -6.218 -18.164 -20.790 1.00 0.00 N ATOM 1624 CZ ARG A 98 -5.908 -18.867 -19.703 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -6.781 -19.450 -18.909 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -4.646 -19.039 -19.393 1.00 0.00 N ATOM 0 H ARG A 98 -7.336 -22.537 -20.375 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.144 -21.769 -22.592 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.466 -20.501 -21.826 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.270 -20.236 -23.361 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.148 -19.137 -22.307 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.664 -19.675 -20.711 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.378 -17.525 -22.421 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.149 -17.341 -20.858 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.443 -17.663 -21.224 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.779 -19.380 -19.109 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.460 -19.972 -18.094 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.917 -18.636 -19.982 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.393 -19.575 -18.563 1.00 0.00 H new ATOM 1640 N TRP A 99 -7.138 -24.050 -22.356 1.00 0.00 N ATOM 1641 CA TRP A 99 -6.441 -25.151 -23.003 1.00 0.00 C ATOM 1642 C TRP A 99 -7.237 -25.653 -24.232 1.00 0.00 C ATOM 1643 O TRP A 99 -8.453 -25.470 -24.310 1.00 0.00 O ATOM 1644 CB TRP A 99 -6.239 -26.292 -21.993 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.953 -26.152 -21.232 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.652 -25.120 -20.415 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.764 -27.002 -21.250 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -3.379 -25.275 -19.907 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.776 -26.411 -20.403 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -3.410 -28.208 -21.897 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.504 -26.972 -20.221 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -2.138 -28.785 -21.716 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -1.183 -28.168 -20.885 1.00 0.00 C ATOM 0 H TRP A 99 -7.440 -24.249 -21.402 1.00 0.00 H new ATOM 0 HA TRP A 99 -5.469 -24.801 -23.350 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -7.074 -26.308 -21.293 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -6.246 -27.247 -22.519 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -5.311 -24.294 -20.192 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.940 -24.631 -19.249 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -4.127 -28.695 -22.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.781 -26.491 -19.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.893 -29.709 -22.219 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.207 -28.613 -20.758 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.544 -26.281 -25.212 1.00 0.00 N ATOM 1665 CA PRO A 100 -7.148 -26.660 -26.507 1.00 0.00 C ATOM 1666 C PRO A 100 -8.165 -27.829 -26.393 1.00 0.00 C ATOM 1667 O PRO A 100 -8.490 -28.476 -27.389 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.936 -27.070 -27.364 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.878 -27.507 -26.353 1.00 0.00 C ATOM 1670 CD PRO A 100 -5.112 -26.548 -25.189 1.00 0.00 C ATOM 0 HA PRO A 100 -7.730 -25.841 -26.929 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.190 -27.880 -28.047 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.582 -26.238 -27.973 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.009 -28.547 -26.054 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.870 -27.416 -26.757 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.807 -26.993 -24.242 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.536 -25.630 -25.310 1.00 0.00 H new ATOM 1678 N SER A 101 -8.668 -28.073 -25.180 1.00 0.00 N ATOM 1679 CA SER A 101 -9.709 -29.088 -24.952 1.00 0.00 C ATOM 1680 C SER A 101 -10.391 -28.881 -23.582 1.00 0.00 C ATOM 1681 O SER A 101 -10.894 -29.833 -22.986 1.00 0.00 O ATOM 1682 CB SER A 101 -9.089 -30.498 -25.015 1.00 0.00 C ATOM 1683 OG SER A 101 -8.705 -30.805 -26.341 1.00 0.00 O ATOM 0 H SER A 101 -8.372 -27.582 -24.336 1.00 0.00 H new ATOM 0 HA SER A 101 -10.463 -28.985 -25.732 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.222 -30.552 -24.356 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.808 -31.235 -24.657 1.00 0.00 H new ATOM 0 HG SER A 101 -8.956 -30.066 -26.934 1.00 0.00 H new ATOM 1689 N CYS A 102 -10.387 -27.628 -23.083 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.950 -27.317 -21.767 1.00 0.00 C ATOM 1691 C CYS A 102 -11.549 -25.899 -21.729 1.00 0.00 C ATOM 1692 O CYS A 102 -11.175 -25.027 -22.516 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.857 -27.434 -20.700 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.539 -27.179 -19.040 1.00 0.00 S ATOM 0 H CYS A 102 -10.000 -26.822 -23.575 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.750 -28.030 -21.567 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.391 -28.418 -20.758 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.076 -26.699 -20.893 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.582 -27.244 -18.163 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.421 -25.673 -20.744 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.923 -24.339 -20.423 1.00 0.00 C ATOM 1701 C GLN A 103 -13.380 -24.284 -18.938 1.00 0.00 C ATOM 1702 O GLN A 103 -14.262 -23.500 -18.574 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.104 -23.983 -21.354 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.245 -22.466 -21.576 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.465 -21.980 -22.797 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.014 -21.815 -23.875 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.177 -21.716 -22.695 1.00 0.00 N ATOM 0 H GLN A 103 -12.798 -26.410 -20.148 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.123 -23.614 -20.572 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.965 -24.476 -22.316 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -15.029 -24.372 -20.927 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.299 -22.216 -21.699 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.893 -21.938 -20.690 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.699 -21.847 -21.804 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.659 -21.381 -23.507 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.791 -25.166 -18.100 1.00 0.00 N ATOM 1717 CA LYS A 104 -13.196 -25.307 -16.691 1.00 0.00 C ATOM 1718 C LYS A 104 -12.926 -24.025 -15.931 1.00 0.00 C ATOM 1719 O LYS A 104 -11.917 -23.365 -16.156 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.427 -26.467 -16.037 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.883 -27.834 -16.574 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.029 -28.968 -15.987 1.00 0.00 C ATOM 1723 CE LYS A 104 -12.031 -30.204 -16.895 1.00 0.00 C ATOM 1724 NZ LYS A 104 -11.063 -30.058 -18.003 1.00 0.00 N ATOM 0 H LYS A 104 -12.033 -25.789 -18.379 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.265 -25.518 -16.658 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.360 -26.343 -16.220 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.571 -26.435 -14.957 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.931 -27.996 -16.323 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.810 -27.844 -17.662 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.006 -28.619 -15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.410 -29.239 -15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.785 -31.089 -16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.031 -30.358 -17.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.402 -30.586 -18.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.966 -29.052 -18.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.139 -30.433 -17.708 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.866 -23.643 -15.064 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.826 -22.335 -14.420 1.00 0.00 C ATOM 1740 C LYS A 105 -13.498 -22.454 -12.940 1.00 0.00 C ATOM 1741 O LYS A 105 -13.969 -23.363 -12.258 1.00 0.00 O ATOM 1742 CB LYS A 105 -15.174 -21.628 -14.596 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.588 -21.526 -16.073 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.660 -20.455 -16.296 1.00 0.00 C ATOM 1745 CE LYS A 105 -17.032 -20.411 -17.781 1.00 0.00 C ATOM 1746 NZ LYS A 105 -18.040 -19.365 -18.049 1.00 0.00 N ATOM 0 H LYS A 105 -14.661 -24.222 -14.794 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.038 -21.750 -14.895 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.941 -22.169 -14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.116 -20.628 -14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.713 -21.294 -16.680 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.964 -22.491 -16.412 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.542 -20.677 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.290 -19.482 -15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.139 -20.220 -18.377 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.420 -21.381 -18.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.273 -19.359 -19.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -18.900 -19.562 -17.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.658 -18.437 -17.775 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.725 -21.488 -12.442 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.357 -21.419 -11.026 1.00 0.00 C ATOM 1762 C PHE A 106 -12.701 -20.048 -10.454 1.00 0.00 C ATOM 1763 O PHE A 106 -12.908 -19.088 -11.196 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.851 -21.690 -10.866 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.461 -23.023 -11.473 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.647 -24.211 -10.743 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -10.060 -23.089 -12.821 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.469 -25.453 -11.374 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.899 -24.328 -13.459 1.00 0.00 C ATOM 1770 CZ PHE A 106 -10.122 -25.512 -12.735 1.00 0.00 C ATOM 0 H PHE A 106 -12.337 -20.733 -13.007 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.919 -22.176 -10.480 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.283 -20.891 -11.343 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.588 -21.679 -9.808 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.926 -24.168 -9.700 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.875 -22.177 -13.369 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.599 -26.366 -10.812 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.606 -24.372 -14.498 1.00 0.00 H new ATOM 0 HZ PHE A 106 -10.027 -26.469 -13.226 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.757 -19.960 -9.125 1.00 0.00 N ATOM 1781 CA ALA A 107 -13.063 -18.703 -8.448 1.00 0.00 C ATOM 1782 C ALA A 107 -11.782 -18.034 -7.924 1.00 0.00 C ATOM 1783 O ALA A 107 -11.840 -16.984 -7.283 1.00 0.00 O ATOM 1784 CB ALA A 107 -14.032 -18.964 -7.287 1.00 0.00 C ATOM 0 H ALA A 107 -12.594 -20.747 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.529 -18.028 -9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.258 -18.024 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.953 -19.400 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.573 -19.654 -6.578 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.623 -18.638 -8.229 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.331 -18.096 -7.822 1.00 0.00 C ATOM 1792 C ARG A 108 -8.323 -18.182 -8.973 1.00 0.00 C ATOM 1793 O ARG A 108 -8.219 -19.208 -9.657 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.806 -18.869 -6.613 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.506 -18.488 -5.302 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.326 -19.573 -4.241 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.910 -19.870 -3.978 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.447 -20.510 -2.913 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.242 -20.817 -1.921 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.182 -20.837 -2.867 1.00 0.00 N ATOM 0 H ARG A 108 -10.562 -19.507 -8.760 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.461 -17.048 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.934 -19.937 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.736 -18.689 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.103 -17.545 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.568 -18.330 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.806 -19.255 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.831 -20.483 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.229 -19.559 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.229 -20.564 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.875 -21.309 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.565 -20.600 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.812 -21.330 -2.054 1.00 0.00 H new ATOM 1814 N SER A 109 -7.562 -17.105 -9.160 1.00 0.00 N ATOM 1815 CA SER A 109 -6.541 -17.044 -10.202 1.00 0.00 C ATOM 1816 C SER A 109 -5.518 -18.173 -10.027 1.00 0.00 C ATOM 1817 O SER A 109 -5.184 -18.867 -10.980 1.00 0.00 O ATOM 1818 CB SER A 109 -5.826 -15.684 -10.150 1.00 0.00 C ATOM 1819 OG SER A 109 -5.383 -15.407 -8.832 1.00 0.00 O ATOM 0 H SER A 109 -7.635 -16.257 -8.598 1.00 0.00 H new ATOM 0 HA SER A 109 -7.027 -17.164 -11.170 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.976 -15.687 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.502 -14.898 -10.486 1.00 0.00 H new ATOM 0 HG SER A 109 -4.928 -14.539 -8.815 1.00 0.00 H new ATOM 1825 N ASP A 110 -5.064 -18.379 -8.787 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.092 -19.429 -8.477 1.00 0.00 C ATOM 1827 C ASP A 110 -4.703 -20.846 -8.675 1.00 0.00 C ATOM 1828 O ASP A 110 -4.000 -21.766 -9.071 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.566 -19.268 -7.049 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.592 -19.147 -5.924 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.445 -18.236 -6.004 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.471 -19.928 -4.953 1.00 0.00 O ATOM 0 H ASP A 110 -5.356 -17.829 -7.979 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.258 -19.326 -9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.926 -20.123 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.933 -18.381 -7.023 1.00 0.00 H new ATOM 1837 N GLU A 111 -6.019 -21.005 -8.404 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.715 -22.288 -8.699 1.00 0.00 C ATOM 1839 C GLU A 111 -6.646 -22.596 -10.202 1.00 0.00 C ATOM 1840 O GLU A 111 -6.368 -23.730 -10.595 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.197 -22.229 -8.259 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.464 -22.641 -6.803 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.970 -22.720 -6.460 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.765 -21.998 -7.113 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.304 -23.470 -5.518 1.00 0.00 O ATOM 0 H GLU A 111 -6.611 -20.284 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.212 -23.077 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.563 -21.213 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.780 -22.875 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.004 -23.611 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.983 -21.926 -6.136 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.840 -21.563 -11.037 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.691 -21.709 -12.491 1.00 0.00 C ATOM 1854 C LEU A 112 -5.220 -22.038 -12.866 1.00 0.00 C ATOM 1855 O LEU A 112 -4.966 -22.945 -13.658 1.00 0.00 O ATOM 1856 CB LEU A 112 -7.145 -20.425 -13.199 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.931 -20.442 -14.721 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.683 -21.585 -15.406 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.387 -19.113 -15.325 1.00 0.00 C ATOM 0 H LEU A 112 -7.098 -20.625 -10.732 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.320 -22.537 -12.819 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.203 -20.263 -12.993 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.605 -19.578 -12.776 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.865 -20.595 -14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.498 -21.551 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.336 -22.539 -15.008 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.752 -21.481 -15.219 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.233 -19.132 -16.404 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.445 -18.961 -15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.809 -18.298 -14.890 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.260 -21.323 -12.250 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.819 -21.601 -12.472 1.00 0.00 C ATOM 1873 C VAL A 113 -2.497 -23.056 -12.099 1.00 0.00 C ATOM 1874 O VAL A 113 -1.800 -23.759 -12.834 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.950 -20.644 -11.611 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.451 -20.973 -11.709 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -2.092 -19.159 -11.963 1.00 0.00 C ATOM 0 H VAL A 113 -4.447 -20.558 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.594 -21.441 -13.527 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.333 -20.809 -10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.115 -20.277 -11.090 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.278 -21.991 -11.361 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.126 -20.884 -12.746 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.449 -18.567 -11.311 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.799 -19.002 -13.001 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.129 -18.850 -11.827 1.00 0.00 H new ATOM 1887 N ARG A 114 -3.050 -23.503 -10.968 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.878 -24.882 -10.515 1.00 0.00 C ATOM 1889 C ARG A 114 -3.485 -25.857 -11.530 1.00 0.00 C ATOM 1890 O ARG A 114 -2.811 -26.780 -11.982 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.543 -25.078 -9.142 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.513 -26.562 -8.730 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.998 -26.785 -7.302 1.00 0.00 C ATOM 1894 NE ARG A 114 -3.027 -26.275 -6.325 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.083 -26.480 -5.017 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.029 -27.211 -4.478 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.195 -25.933 -4.223 1.00 0.00 N ATOM 0 H ARG A 114 -3.621 -22.927 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.811 -25.085 -10.425 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.027 -24.477 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.574 -24.726 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.135 -27.138 -9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.496 -26.942 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.957 -26.287 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.163 -27.849 -7.133 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.249 -25.720 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.743 -27.637 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.050 -27.354 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.456 -25.346 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.243 -26.094 -3.217 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.714 -25.566 -11.982 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.398 -26.410 -12.968 1.00 0.00 C ATOM 1913 C HIS A 115 -4.537 -26.592 -14.216 1.00 0.00 C ATOM 1914 O HIS A 115 -4.287 -27.715 -14.644 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.745 -25.789 -13.357 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.422 -26.574 -14.456 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.916 -27.854 -14.333 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.563 -26.195 -15.768 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.358 -28.226 -15.546 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -8.187 -27.238 -16.431 1.00 0.00 N ATOM 0 H HIS A 115 -5.252 -24.754 -11.680 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.570 -27.387 -12.516 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.395 -25.751 -12.483 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.591 -24.761 -13.685 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.941 -28.414 -13.481 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.246 -25.258 -16.202 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.791 -29.189 -15.775 1.00 0.00 H new ATOM 1928 N HIS A 116 -4.032 -25.479 -14.760 1.00 0.00 N ATOM 1929 CA HIS A 116 -3.157 -25.520 -15.928 1.00 0.00 C ATOM 1930 C HIS A 116 -1.914 -26.409 -15.661 1.00 0.00 C ATOM 1931 O HIS A 116 -1.515 -27.198 -16.517 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.709 -24.100 -16.296 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.778 -23.175 -16.841 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.885 -23.495 -17.607 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.719 -21.808 -16.773 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -5.444 -22.345 -18.013 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.781 -21.288 -17.518 1.00 0.00 N ATOM 0 H HIS A 116 -4.217 -24.540 -14.407 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.717 -25.952 -16.758 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.277 -23.637 -15.408 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.912 -24.174 -17.036 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -5.216 -24.435 -17.824 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.980 -21.232 -16.236 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.312 -22.279 -18.653 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.360 -26.328 -14.436 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.162 -27.109 -14.075 1.00 0.00 C ATOM 1947 C ASN A 117 -0.504 -28.606 -13.899 1.00 0.00 C ATOM 1948 O ASN A 117 0.383 -29.457 -13.923 1.00 0.00 O ATOM 1949 CB ASN A 117 0.455 -26.556 -12.777 1.00 0.00 C ATOM 1950 CG ASN A 117 1.394 -25.395 -13.067 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.597 -25.558 -13.182 1.00 0.00 O ATOM 1952 ND2 ASN A 117 0.883 -24.190 -13.208 1.00 0.00 N ATOM 0 H ASN A 117 -1.719 -25.736 -13.687 1.00 0.00 H new ATOM 0 HA ASN A 117 0.560 -27.018 -14.887 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -0.338 -26.227 -12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.000 -27.348 -12.263 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.493 -23.398 -13.412 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.123 -24.048 -13.113 1.00 0.00 H new ATOM 1959 N MET A 118 -1.802 -28.912 -13.769 1.00 0.00 N ATOM 1960 CA MET A 118 -2.276 -30.296 -13.671 1.00 0.00 C ATOM 1961 C MET A 118 -2.940 -30.748 -14.993 1.00 0.00 C ATOM 1962 O MET A 118 -3.497 -31.841 -15.069 1.00 0.00 O ATOM 1963 CB MET A 118 -3.288 -30.416 -12.515 1.00 0.00 C ATOM 1964 CG MET A 118 -2.647 -30.171 -11.145 1.00 0.00 C ATOM 1965 SD MET A 118 -3.817 -30.254 -9.759 1.00 0.00 S ATOM 1966 CE MET A 118 -2.644 -30.193 -8.379 1.00 0.00 C ATOM 0 H MET A 118 -2.545 -28.214 -13.729 1.00 0.00 H new ATOM 0 HA MET A 118 -1.419 -30.941 -13.478 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.096 -29.700 -12.668 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.736 -31.410 -12.530 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.859 -30.907 -10.987 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.171 -29.190 -11.148 1.00 0.00 H new ATOM 0 HE1 MET A 118 -3.189 -30.234 -7.436 1.00 0.00 H new ATOM 0 HE2 MET A 118 -1.964 -31.042 -8.442 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.073 -29.266 -8.428 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.912 -29.876 -16.017 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.642 -30.125 -17.257 1.00 0.00 C ATOM 1978 C HIS A 119 -2.949 -31.206 -18.093 1.00 0.00 C ATOM 1979 O HIS A 119 -3.466 -31.626 -19.134 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.747 -28.831 -18.065 1.00 0.00 C ATOM 1981 CG HIS A 119 -5.058 -28.746 -18.781 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.573 -29.698 -19.625 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -6.037 -27.832 -18.520 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.857 -29.366 -19.848 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -7.182 -28.257 -19.188 1.00 0.00 N ATOM 0 H HIS A 119 -2.392 -28.999 -16.003 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.642 -30.477 -17.003 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.636 -27.974 -17.401 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.932 -28.782 -18.787 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -5.077 -30.502 -20.009 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.942 -26.946 -17.910 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.534 -29.924 -20.478 1.00 0.00 H new