USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 564 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 20 HIS : no HD1:sc= -2.04 K(o=-3.8,f=-2.7!) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.75 K(o=-3.8,f=-1.7) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.06! C(o=-6.5!,f=-8.1!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -5.46! C(o=-6.5!,f=-8.7!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -159:sc= 0.784 (180deg=0) USER MOD Set 3.2: A 8 ASN : amide:sc= 0.667 K(o=1.5,f=-5.2!) USER MOD Single : A 1 CYS N :NH3+ -143:sc= 0.374 (180deg=0.0508) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.137 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : A 9 TYR OH : rot -35:sc= 0.0716 USER MOD Single : A 12 ASN : amide:sc= -3.39! C(o=-3.4!,f=-9.1!) USER MOD Single : A 16 THR OG1 : rot -77:sc= 0.0367 USER MOD Single : A 18 SER OG : rot 140:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.12) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 28 GLN : amide:sc= 0.551 K(o=0.55,f=-0.71) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0.237 K(o=0.24,f=-3.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0723 USER MOD Single : A 34 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.251 K(o=0.25,f=-0.45) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.03) USER MOD Single : A 45 ASN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 49 ASN : amide:sc= -5.41! C(o=-5.4!,f=-1.2!) USER MOD Single : A 50 TYR OH : rot 104:sc= 1.27 USER MOD Single : A 53 ASN : amide:sc= 2.65 K(o=2.6,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-2) USER MOD Single : A 65 THR OG1 : rot -70:sc= -1.07 USER MOD Single : A 66 THR OG1 : rot 130:sc= -2.11! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00541 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.0995 (180deg=-0.493) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.670 27.001 -20.951 1.00 0.00 N ATOM 56 CA CYS A 1 11.438 26.797 -19.727 1.00 0.00 C ATOM 57 C CYS A 1 10.548 26.230 -18.629 1.00 0.00 C ATOM 58 O CYS A 1 9.328 26.176 -18.776 1.00 0.00 O ATOM 59 CB CYS A 1 12.075 28.112 -19.271 1.00 0.00 C ATOM 60 SG CYS A 1 10.920 29.524 -19.167 1.00 0.00 S ATOM 0 H1 CYS A 1 11.262 26.772 -21.775 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.834 26.383 -20.943 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.366 27.994 -21.009 1.00 0.00 H new ATOM 0 HA CYS A 1 12.233 26.080 -19.933 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.530 27.959 -18.292 1.00 0.00 H new ATOM 0 HB3 CYS A 1 12.880 28.368 -19.960 1.00 0.00 H new ATOM 0 HG CYS A 1 11.563 30.582 -18.770 1.00 0.00 H new ATOM 65 N LEU A 2 11.158 25.773 -17.544 1.00 0.00 N ATOM 66 CA LEU A 2 10.401 25.218 -16.429 1.00 0.00 C ATOM 67 C LEU A 2 9.892 26.296 -15.477 1.00 0.00 C ATOM 68 O LEU A 2 10.545 27.312 -15.260 1.00 0.00 O ATOM 69 CB LEU A 2 11.262 24.229 -15.657 1.00 0.00 C ATOM 70 CG LEU A 2 10.566 23.525 -14.504 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.298 22.844 -14.993 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.510 22.524 -13.857 1.00 0.00 C ATOM 0 H LEU A 2 12.169 25.775 -17.412 1.00 0.00 H new ATOM 0 HA LEU A 2 9.533 24.713 -16.852 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.632 23.475 -16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.132 24.757 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 2 10.285 24.263 -13.753 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.809 22.343 -14.158 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.624 23.590 -15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.551 22.110 -15.758 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.002 22.025 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.817 21.783 -14.595 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.390 23.045 -13.479 1.00 0.00 H new ATOM 84 N LYS A 3 8.727 26.030 -14.894 1.00 0.00 N ATOM 85 CA LYS A 3 8.112 26.916 -13.916 1.00 0.00 C ATOM 86 C LYS A 3 8.284 26.357 -12.503 1.00 0.00 C ATOM 87 O LYS A 3 7.312 26.193 -11.764 1.00 0.00 O ATOM 88 CB LYS A 3 6.620 27.082 -14.226 1.00 0.00 C ATOM 89 CG LYS A 3 5.894 25.754 -14.399 1.00 0.00 C ATOM 90 CD LYS A 3 4.374 25.910 -14.402 1.00 0.00 C ATOM 91 CE LYS A 3 3.897 26.964 -15.391 1.00 0.00 C ATOM 92 NZ LYS A 3 2.416 27.108 -15.389 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.182 25.190 -15.089 1.00 0.00 H new ATOM 0 HA LYS A 3 8.604 27.887 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.148 27.645 -13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.507 27.672 -15.136 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.210 25.291 -15.334 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.184 25.078 -13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.914 24.952 -14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.038 26.178 -13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.354 27.923 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.233 26.698 -16.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.108 27.544 -16.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.976 26.171 -15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.127 27.710 -14.592 1.00 0.00 H new ATOM 106 N GLY A 4 9.516 26.034 -12.144 1.00 0.00 N ATOM 107 CA GLY A 4 9.785 25.509 -10.821 1.00 0.00 C ATOM 108 C GLY A 4 9.359 24.061 -10.684 1.00 0.00 C ATOM 109 O GLY A 4 10.094 23.159 -11.074 1.00 0.00 O ATOM 0 H GLY A 4 10.335 26.126 -12.745 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.850 25.595 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.262 26.112 -10.079 1.00 0.00 H new ATOM 113 N THR A 5 8.165 23.839 -10.149 1.00 0.00 N ATOM 114 CA THR A 5 7.641 22.488 -9.997 1.00 0.00 C ATOM 115 C THR A 5 7.075 21.977 -11.318 1.00 0.00 C ATOM 116 O THR A 5 6.975 20.776 -11.551 1.00 0.00 O ATOM 117 CB THR A 5 6.560 22.418 -8.902 1.00 0.00 C ATOM 118 OG1 THR A 5 5.598 23.469 -9.083 1.00 0.00 O ATOM 119 CG2 THR A 5 7.182 22.524 -7.519 1.00 0.00 C ATOM 0 H THR A 5 7.543 24.575 -9.814 1.00 0.00 H new ATOM 0 HA THR A 5 8.472 21.851 -9.695 1.00 0.00 H new ATOM 0 HB THR A 5 6.058 21.454 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.916 23.412 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.399 22.472 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.884 21.703 -7.372 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.710 23.473 -7.429 1.00 0.00 H new ATOM 127 N GLY A 6 6.717 22.937 -12.173 1.00 0.00 N ATOM 128 CA GLY A 6 6.364 22.661 -13.555 1.00 0.00 C ATOM 129 C GLY A 6 5.207 21.713 -13.746 1.00 0.00 C ATOM 130 O GLY A 6 5.275 20.847 -14.614 1.00 0.00 O ATOM 0 H GLY A 6 6.666 23.924 -11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.125 23.604 -14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.237 22.249 -14.061 1.00 0.00 H new ATOM 134 N GLU A 7 4.139 21.901 -12.982 1.00 0.00 N ATOM 135 CA GLU A 7 2.954 21.056 -13.104 1.00 0.00 C ATOM 136 C GLU A 7 2.447 21.049 -14.542 1.00 0.00 C ATOM 137 O GLU A 7 2.533 20.043 -15.242 1.00 0.00 O ATOM 138 CB GLU A 7 1.849 21.556 -12.178 1.00 0.00 C ATOM 139 CG GLU A 7 2.263 21.639 -10.723 1.00 0.00 C ATOM 140 CD GLU A 7 1.127 22.068 -9.825 1.00 0.00 C ATOM 141 OE1 GLU A 7 0.760 23.263 -9.847 1.00 0.00 O ATOM 142 OE2 GLU A 7 0.597 21.216 -9.088 1.00 0.00 O1- ATOM 0 H GLU A 7 4.067 22.629 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 7 3.230 20.041 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.527 22.542 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.988 20.893 -12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.633 20.667 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.088 22.344 -10.622 1.00 0.00 H new ATOM 149 N ASN A 8 1.939 22.188 -14.980 1.00 0.00 N ATOM 150 CA ASN A 8 1.413 22.320 -16.329 1.00 0.00 C ATOM 151 C ASN A 8 2.267 23.283 -17.148 1.00 0.00 C ATOM 152 O ASN A 8 1.759 23.953 -18.040 1.00 0.00 O ATOM 153 CB ASN A 8 -0.041 22.815 -16.287 1.00 0.00 C ATOM 154 CG ASN A 8 -0.167 24.268 -15.840 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.671 24.783 -15.092 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.216 24.934 -16.294 1.00 0.00 N ATOM 0 H ASN A 8 1.879 23.038 -14.419 1.00 0.00 H new ATOM 0 HA ASN A 8 1.441 21.340 -16.804 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.484 22.706 -17.277 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.614 22.182 -15.610 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.355 25.909 -16.028 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.885 24.473 -16.910 1.00 0.00 H new ATOM 163 N TYR A 9 3.573 23.331 -16.835 1.00 0.00 N ATOM 164 CA TYR A 9 4.521 24.236 -17.504 1.00 0.00 C ATOM 165 C TYR A 9 4.227 24.398 -19.005 1.00 0.00 C ATOM 166 O TYR A 9 3.770 25.452 -19.429 1.00 0.00 O ATOM 167 CB TYR A 9 5.980 23.785 -17.263 1.00 0.00 C ATOM 168 CG TYR A 9 6.369 22.442 -17.861 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.607 21.297 -17.645 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.508 22.326 -18.648 1.00 0.00 C ATOM 171 CE1 TYR A 9 5.968 20.084 -18.197 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.873 21.115 -19.203 1.00 0.00 C ATOM 173 CZ TYR A 9 7.101 19.999 -18.974 1.00 0.00 C ATOM 174 OH TYR A 9 7.460 18.799 -19.538 1.00 0.00 O ATOM 0 H TYR A 9 3.999 22.747 -16.115 1.00 0.00 H new ATOM 0 HA TYR A 9 4.388 25.220 -17.055 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.647 24.547 -17.667 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.155 23.746 -16.188 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.718 21.359 -17.035 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.119 23.198 -18.829 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.364 19.206 -18.020 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.761 21.044 -19.814 1.00 0.00 H new ATOM 0 HH TYR A 9 7.223 18.068 -18.930 1.00 0.00 H new ATOM 184 N ARG A 10 4.524 23.382 -19.802 1.00 0.00 N ATOM 185 CA ARG A 10 4.150 23.360 -21.201 1.00 0.00 C ATOM 186 C ARG A 10 3.638 21.976 -21.579 1.00 0.00 C ATOM 187 O ARG A 10 2.471 21.800 -21.916 1.00 0.00 O ATOM 188 CB ARG A 10 5.344 23.740 -22.082 1.00 0.00 C ATOM 189 CG ARG A 10 5.736 25.194 -21.970 1.00 0.00 C ATOM 190 CD ARG A 10 6.720 25.430 -20.846 1.00 0.00 C ATOM 191 NE ARG A 10 7.169 26.824 -20.807 1.00 0.00 N ATOM 192 CZ ARG A 10 6.941 27.657 -19.788 1.00 0.00 C ATOM 193 NH1 ARG A 10 6.171 27.277 -18.777 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.448 28.882 -19.803 1.00 0.00 N ATOM 0 H ARG A 10 5.031 22.552 -19.494 1.00 0.00 H new ATOM 0 HA ARG A 10 3.357 24.090 -21.362 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.198 23.120 -21.810 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.105 23.515 -23.121 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.175 25.525 -22.911 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.844 25.798 -21.804 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.256 25.170 -19.895 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.581 24.773 -20.971 1.00 0.00 H new ATOM 0 HE ARG A 10 7.689 27.181 -21.609 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.752 26.347 -18.777 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.998 27.915 -18.000 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.014 29.190 -20.594 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.272 29.516 -19.024 1.00 0.00 H new ATOM 208 N GLY A 11 4.513 20.989 -21.471 1.00 0.00 N ATOM 209 CA GLY A 11 4.167 19.646 -21.885 1.00 0.00 C ATOM 210 C GLY A 11 4.930 19.261 -23.126 1.00 0.00 C ATOM 211 O GLY A 11 4.348 19.021 -24.181 1.00 0.00 O ATOM 0 H GLY A 11 5.459 21.094 -21.103 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.390 18.943 -21.082 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.096 19.583 -22.076 1.00 0.00 H new ATOM 215 N ASN A 12 6.244 19.236 -23.001 1.00 0.00 N ATOM 216 CA ASN A 12 7.114 18.987 -24.141 1.00 0.00 C ATOM 217 C ASN A 12 7.917 17.700 -23.961 1.00 0.00 C ATOM 218 O ASN A 12 7.733 16.735 -24.705 1.00 0.00 O ATOM 219 CB ASN A 12 8.047 20.188 -24.367 1.00 0.00 C ATOM 220 CG ASN A 12 8.546 20.816 -23.070 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.509 20.352 -22.469 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.906 21.896 -22.637 1.00 0.00 N ATOM 0 H ASN A 12 6.736 19.385 -22.120 1.00 0.00 H new ATOM 0 HA ASN A 12 6.488 18.859 -25.024 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.903 19.868 -24.960 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.520 20.944 -24.950 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.213 22.362 -21.783 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.108 22.259 -23.158 1.00 0.00 H new ATOM 229 N VAL A 13 8.808 17.695 -22.981 1.00 0.00 N ATOM 230 CA VAL A 13 9.622 16.528 -22.681 1.00 0.00 C ATOM 231 C VAL A 13 8.764 15.341 -22.235 1.00 0.00 C ATOM 232 O VAL A 13 7.901 15.479 -21.366 1.00 0.00 O ATOM 233 CB VAL A 13 10.650 16.868 -21.586 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.431 15.638 -21.162 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.591 17.960 -22.067 1.00 0.00 C ATOM 0 H VAL A 13 8.986 18.495 -22.374 1.00 0.00 H new ATOM 0 HA VAL A 13 10.142 16.243 -23.596 1.00 0.00 H new ATOM 0 HB VAL A 13 10.107 17.232 -20.714 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.148 15.911 -20.388 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.744 14.888 -20.771 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.963 15.230 -22.022 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.312 18.190 -21.283 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.119 17.619 -22.957 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.017 18.855 -22.306 1.00 0.00 H new ATOM 245 N ALA A 14 9.008 14.184 -22.846 1.00 0.00 N ATOM 246 CA ALA A 14 8.296 12.954 -22.505 1.00 0.00 C ATOM 247 C ALA A 14 9.297 11.841 -22.166 1.00 0.00 C ATOM 248 O ALA A 14 9.031 10.645 -22.352 1.00 0.00 O ATOM 249 CB ALA A 14 7.390 12.534 -23.651 1.00 0.00 C ATOM 0 H ALA A 14 9.700 14.072 -23.587 1.00 0.00 H new ATOM 0 HA ALA A 14 7.675 13.137 -21.628 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.866 11.617 -23.383 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.664 13.322 -23.848 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.990 12.362 -24.545 1.00 0.00 H new ATOM 255 N VAL A 15 10.466 12.257 -21.700 1.00 0.00 N ATOM 256 CA VAL A 15 11.527 11.342 -21.298 1.00 0.00 C ATOM 257 C VAL A 15 12.183 11.869 -20.028 1.00 0.00 C ATOM 258 O VAL A 15 12.372 13.075 -19.877 1.00 0.00 O ATOM 259 CB VAL A 15 12.606 11.182 -22.402 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.709 10.234 -21.952 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.988 10.687 -23.703 1.00 0.00 C ATOM 0 H VAL A 15 10.707 13.242 -21.589 1.00 0.00 H new ATOM 0 HA VAL A 15 11.080 10.363 -21.125 1.00 0.00 H new ATOM 0 HB VAL A 15 13.044 12.164 -22.580 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.452 10.139 -22.743 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.184 10.628 -21.054 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.282 9.255 -21.736 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.766 10.584 -24.459 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.514 9.720 -23.536 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.241 11.403 -24.046 1.00 0.00 H new ATOM 271 N THR A 16 12.521 10.966 -19.119 1.00 0.00 N ATOM 272 CA THR A 16 13.120 11.341 -17.844 1.00 0.00 C ATOM 273 C THR A 16 14.466 12.043 -18.043 1.00 0.00 C ATOM 274 O THR A 16 14.981 12.107 -19.162 1.00 0.00 O ATOM 275 CB THR A 16 13.330 10.101 -16.948 1.00 0.00 C ATOM 276 OG1 THR A 16 14.310 9.229 -17.535 1.00 0.00 O ATOM 277 CG2 THR A 16 12.027 9.338 -16.766 1.00 0.00 C ATOM 0 H THR A 16 12.390 9.962 -19.241 1.00 0.00 H new ATOM 0 HA THR A 16 12.429 12.030 -17.358 1.00 0.00 H new ATOM 0 HB THR A 16 13.678 10.443 -15.974 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.902 8.728 -18.272 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.200 8.469 -16.131 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.287 9.988 -16.298 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.659 9.010 -17.738 1.00 0.00 H new ATOM 285 N VAL A 17 15.040 12.570 -16.967 1.00 0.00 N ATOM 286 CA VAL A 17 16.372 13.159 -17.040 1.00 0.00 C ATOM 287 C VAL A 17 17.395 12.097 -17.454 1.00 0.00 C ATOM 288 O VAL A 17 18.367 12.388 -18.154 1.00 0.00 O ATOM 289 CB VAL A 17 16.783 13.817 -15.699 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.776 12.808 -14.561 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.144 14.486 -15.822 1.00 0.00 C ATOM 0 H VAL A 17 14.609 12.602 -16.043 1.00 0.00 H new ATOM 0 HA VAL A 17 16.349 13.945 -17.794 1.00 0.00 H new ATOM 0 HB VAL A 17 16.044 14.584 -15.465 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.069 13.302 -13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.775 12.392 -14.449 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.479 12.005 -14.782 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.413 14.942 -14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.892 13.741 -16.092 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.103 15.255 -16.593 1.00 0.00 H new ATOM 301 N SER A 18 17.149 10.861 -17.037 1.00 0.00 N ATOM 302 CA SER A 18 17.960 9.732 -17.455 1.00 0.00 C ATOM 303 C SER A 18 17.374 9.138 -18.738 1.00 0.00 C ATOM 304 O SER A 18 16.390 9.650 -19.267 1.00 0.00 O ATOM 305 CB SER A 18 17.983 8.678 -16.349 1.00 0.00 C ATOM 306 OG SER A 18 18.125 9.278 -15.070 1.00 0.00 O ATOM 0 H SER A 18 16.387 10.617 -16.404 1.00 0.00 H new ATOM 0 HA SER A 18 18.981 10.063 -17.646 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.063 8.095 -16.380 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.806 7.984 -16.521 1.00 0.00 H new ATOM 0 HG SER A 18 17.547 8.818 -14.427 1.00 0.00 H new ATOM 312 N GLY A 19 17.952 8.050 -19.221 1.00 0.00 N ATOM 313 CA GLY A 19 17.487 7.454 -20.460 1.00 0.00 C ATOM 314 C GLY A 19 16.255 6.580 -20.288 1.00 0.00 C ATOM 315 O GLY A 19 16.043 5.648 -21.062 1.00 0.00 O ATOM 0 H GLY A 19 18.735 7.567 -18.779 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.263 8.247 -21.174 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.290 6.855 -20.890 1.00 0.00 H new ATOM 319 N HIS A 20 15.438 6.871 -19.280 1.00 0.00 N ATOM 320 CA HIS A 20 14.218 6.105 -19.052 1.00 0.00 C ATOM 321 C HIS A 20 13.047 6.741 -19.803 1.00 0.00 C ATOM 322 O HIS A 20 12.812 7.944 -19.694 1.00 0.00 O ATOM 323 CB HIS A 20 13.881 6.012 -17.556 1.00 0.00 C ATOM 324 CG HIS A 20 14.939 5.353 -16.719 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.821 6.052 -15.921 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.249 4.047 -16.559 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.634 5.201 -15.319 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.307 3.977 -15.690 1.00 0.00 N ATOM 0 H HIS A 20 15.597 7.626 -18.613 1.00 0.00 H new ATOM 0 HA HIS A 20 14.388 5.096 -19.426 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.706 7.017 -17.173 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.948 5.460 -17.440 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.753 3.211 -17.030 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.431 5.463 -14.639 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.766 3.120 -15.381 1.00 0.00 H new ATOM 337 N THR A 21 12.332 5.931 -20.567 1.00 0.00 N ATOM 338 CA THR A 21 11.162 6.394 -21.301 1.00 0.00 C ATOM 339 C THR A 21 9.994 6.667 -20.353 1.00 0.00 C ATOM 340 O THR A 21 9.674 5.832 -19.502 1.00 0.00 O ATOM 341 CB THR A 21 10.750 5.343 -22.354 1.00 0.00 C ATOM 342 OG1 THR A 21 11.747 5.273 -23.385 1.00 0.00 O ATOM 343 CG2 THR A 21 9.388 5.654 -22.959 1.00 0.00 C ATOM 0 H THR A 21 12.543 4.941 -20.696 1.00 0.00 H new ATOM 0 HA THR A 21 11.421 7.326 -21.803 1.00 0.00 H new ATOM 0 HB THR A 21 10.673 4.378 -21.854 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.483 4.604 -24.050 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.134 4.891 -23.695 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.634 5.664 -22.172 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.419 6.630 -23.444 1.00 0.00 H new ATOM 351 N CYS A 22 9.386 7.848 -20.464 1.00 0.00 N ATOM 352 CA CYS A 22 8.219 8.163 -19.659 1.00 0.00 C ATOM 353 C CYS A 22 7.022 7.307 -20.060 1.00 0.00 C ATOM 354 O CYS A 22 6.520 7.393 -21.181 1.00 0.00 O ATOM 355 CB CYS A 22 7.858 9.642 -19.767 1.00 0.00 C ATOM 356 SG CYS A 22 8.987 10.753 -18.870 1.00 0.00 S ATOM 0 H CYS A 22 9.682 8.591 -21.097 1.00 0.00 H new ATOM 0 HA CYS A 22 8.473 7.940 -18.623 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.847 9.926 -20.819 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.847 9.786 -19.387 1.00 0.00 H new ATOM 361 N GLN A 23 6.601 6.455 -19.148 1.00 0.00 N ATOM 362 CA GLN A 23 5.361 5.719 -19.283 1.00 0.00 C ATOM 363 C GLN A 23 4.171 6.684 -19.223 1.00 0.00 C ATOM 364 O GLN A 23 4.184 7.660 -18.468 1.00 0.00 O ATOM 365 CB GLN A 23 5.276 4.682 -18.164 1.00 0.00 C ATOM 366 CG GLN A 23 3.910 4.058 -18.010 1.00 0.00 C ATOM 367 CD GLN A 23 3.397 4.163 -16.599 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.597 3.275 -15.777 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.761 5.276 -16.302 1.00 0.00 N ATOM 0 H GLN A 23 7.112 6.253 -18.289 1.00 0.00 H new ATOM 0 HA GLN A 23 5.334 5.208 -20.246 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.005 3.894 -18.356 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.557 5.154 -17.223 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.210 4.547 -18.687 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.956 3.009 -18.302 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.617 5.988 -17.018 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.412 5.427 -15.356 1.00 0.00 H new ATOM 378 N HIS A 24 3.141 6.388 -20.007 1.00 0.00 N ATOM 379 CA HIS A 24 2.000 7.285 -20.172 1.00 0.00 C ATOM 380 C HIS A 24 1.163 7.369 -18.899 1.00 0.00 C ATOM 381 O HIS A 24 0.994 6.383 -18.183 1.00 0.00 O ATOM 382 CB HIS A 24 1.124 6.806 -21.334 1.00 0.00 C ATOM 383 CG HIS A 24 1.858 6.694 -22.638 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.440 5.523 -23.079 1.00 0.00 N ATOM 385 CD2 HIS A 24 2.115 7.618 -23.592 1.00 0.00 C ATOM 386 CE1 HIS A 24 3.026 5.734 -24.242 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.842 6.997 -24.574 1.00 0.00 N ATOM 0 H HIS A 24 3.072 5.524 -20.545 1.00 0.00 H new ATOM 0 HA HIS A 24 2.387 8.281 -20.388 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.701 5.834 -21.081 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.289 7.496 -21.456 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.805 8.653 -23.582 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.564 4.999 -24.822 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.186 7.441 -25.426 1.00 0.00 H new ATOM 396 N TRP A 25 0.648 8.566 -18.622 1.00 0.00 N ATOM 397 CA TRP A 25 -0.157 8.814 -17.427 1.00 0.00 C ATOM 398 C TRP A 25 -1.479 8.061 -17.485 1.00 0.00 C ATOM 399 O TRP A 25 -1.996 7.621 -16.460 1.00 0.00 O ATOM 400 CB TRP A 25 -0.439 10.306 -17.249 1.00 0.00 C ATOM 401 CG TRP A 25 0.789 11.150 -17.125 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.255 12.047 -18.039 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.706 11.185 -16.025 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.400 12.636 -17.575 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.704 12.120 -16.347 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.782 10.515 -14.801 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.763 12.404 -15.490 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.833 10.797 -13.953 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.813 11.732 -14.301 1.00 0.00 C ATOM 0 H TRP A 25 0.776 9.386 -19.215 1.00 0.00 H new ATOM 0 HA TRP A 25 0.421 8.455 -16.576 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.024 10.658 -18.099 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.053 10.445 -16.359 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.789 12.262 -18.990 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.940 13.347 -18.068 1.00 0.00 H new ATOM 0 HE3 TRP A 25 1.031 9.790 -14.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.518 13.129 -15.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.900 10.287 -13.004 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.625 11.927 -13.617 1.00 0.00 H new ATOM 420 N SER A 26 -2.027 7.926 -18.684 1.00 0.00 N ATOM 421 CA SER A 26 -3.276 7.213 -18.876 1.00 0.00 C ATOM 422 C SER A 26 -3.047 5.706 -18.803 1.00 0.00 C ATOM 423 O SER A 26 -3.992 4.918 -18.741 1.00 0.00 O ATOM 424 CB SER A 26 -3.884 7.611 -20.221 1.00 0.00 C ATOM 425 OG SER A 26 -2.909 7.572 -21.251 1.00 0.00 O ATOM 0 H SER A 26 -1.622 8.304 -19.541 1.00 0.00 H new ATOM 0 HA SER A 26 -3.972 7.481 -18.081 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.705 6.937 -20.467 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.305 8.614 -20.151 1.00 0.00 H new ATOM 0 HG SER A 26 -3.322 7.829 -22.102 1.00 0.00 H new ATOM 431 N ALA A 27 -1.779 5.318 -18.787 1.00 0.00 N ATOM 432 CA ALA A 27 -1.400 3.923 -18.748 1.00 0.00 C ATOM 433 C ALA A 27 -1.106 3.491 -17.329 1.00 0.00 C ATOM 434 O ALA A 27 -0.262 4.072 -16.655 1.00 0.00 O ATOM 435 CB ALA A 27 -0.181 3.682 -19.625 1.00 0.00 C ATOM 0 H ALA A 27 -0.990 5.964 -18.801 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.233 3.332 -19.128 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.093 2.628 -19.586 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.412 3.959 -20.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.651 4.287 -19.265 1.00 0.00 H new ATOM 441 N GLN A 28 -1.811 2.478 -16.874 1.00 0.00 N ATOM 442 CA GLN A 28 -1.522 1.876 -15.582 1.00 0.00 C ATOM 443 C GLN A 28 -0.534 0.729 -15.765 1.00 0.00 C ATOM 444 O GLN A 28 -0.436 -0.181 -14.946 1.00 0.00 O ATOM 445 CB GLN A 28 -2.806 1.387 -14.910 1.00 0.00 C ATOM 446 CG GLN A 28 -3.704 2.510 -14.416 1.00 0.00 C ATOM 447 CD GLN A 28 -3.167 3.132 -13.161 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.511 2.728 -12.049 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.285 4.095 -13.330 1.00 0.00 N ATOM 0 H GLN A 28 -2.589 2.051 -17.376 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.076 2.628 -14.931 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.364 0.772 -15.616 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.544 0.747 -14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.795 3.272 -15.190 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.706 2.122 -14.231 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.032 4.395 -14.271 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.855 4.540 -12.520 1.00 0.00 H new ATOM 458 N THR A 29 0.180 0.790 -16.875 1.00 0.00 N ATOM 459 CA THR A 29 1.219 -0.164 -17.206 1.00 0.00 C ATOM 460 C THR A 29 2.324 0.563 -17.971 1.00 0.00 C ATOM 461 O THR A 29 2.027 1.422 -18.802 1.00 0.00 O ATOM 462 CB THR A 29 0.641 -1.319 -18.054 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.349 -2.020 -17.289 1.00 0.00 O ATOM 464 CG2 THR A 29 1.726 -2.290 -18.501 1.00 0.00 C ATOM 0 H THR A 29 0.051 1.515 -17.581 1.00 0.00 H new ATOM 0 HA THR A 29 1.629 -0.594 -16.292 1.00 0.00 H new ATOM 0 HB THR A 29 0.191 -0.889 -18.949 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.719 -2.752 -17.825 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.279 -3.087 -19.095 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.464 -1.759 -19.103 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.213 -2.719 -17.626 1.00 0.00 H new ATOM 472 N PRO A 30 3.613 0.263 -17.712 1.00 0.00 N ATOM 473 CA PRO A 30 4.059 -0.762 -16.748 1.00 0.00 C ATOM 474 C PRO A 30 3.599 -0.536 -15.301 1.00 0.00 C ATOM 475 O PRO A 30 3.086 -1.455 -14.665 1.00 0.00 O ATOM 476 CB PRO A 30 5.594 -0.697 -16.825 1.00 0.00 C ATOM 477 CG PRO A 30 5.914 0.589 -17.511 1.00 0.00 C ATOM 478 CD PRO A 30 4.752 0.891 -18.402 1.00 0.00 C ATOM 0 HA PRO A 30 3.626 -1.728 -17.010 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.037 -0.730 -15.830 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.994 -1.546 -17.380 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.066 1.389 -16.786 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.834 0.503 -18.088 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.606 1.965 -18.520 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.894 0.477 -19.400 1.00 0.00 H new ATOM 486 N HIS A 31 3.766 0.673 -14.782 1.00 0.00 N ATOM 487 CA HIS A 31 3.545 0.910 -13.357 1.00 0.00 C ATOM 488 C HIS A 31 2.106 1.310 -13.039 1.00 0.00 C ATOM 489 O HIS A 31 1.540 2.212 -13.660 1.00 0.00 O ATOM 490 CB HIS A 31 4.529 1.951 -12.809 1.00 0.00 C ATOM 491 CG HIS A 31 5.919 1.415 -12.640 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.196 0.249 -11.964 1.00 0.00 N ATOM 493 CD2 HIS A 31 7.108 1.885 -13.078 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.496 0.024 -11.994 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.076 1.002 -12.666 1.00 0.00 N ATOM 0 H HIS A 31 4.049 1.495 -15.315 1.00 0.00 H new ATOM 0 HA HIS A 31 3.728 -0.041 -12.857 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.556 2.807 -13.483 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.167 2.314 -11.847 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.268 2.789 -13.647 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.001 -0.818 -11.545 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.076 1.087 -12.849 1.00 0.00 H new ATOM 504 N THR A 32 1.535 0.631 -12.048 1.00 0.00 N ATOM 505 CA THR A 32 0.181 0.902 -11.579 1.00 0.00 C ATOM 506 C THR A 32 0.161 2.114 -10.648 1.00 0.00 C ATOM 507 O THR A 32 0.084 1.992 -9.428 1.00 0.00 O ATOM 508 CB THR A 32 -0.395 -0.329 -10.854 1.00 0.00 C ATOM 509 OG1 THR A 32 0.657 -1.027 -10.167 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.080 -1.263 -11.838 1.00 0.00 C ATOM 0 H THR A 32 2.001 -0.125 -11.546 1.00 0.00 H new ATOM 0 HA THR A 32 -0.439 1.122 -12.448 1.00 0.00 H new ATOM 0 HB THR A 32 -1.136 0.011 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.285 -1.808 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.479 -2.125 -11.304 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.894 -0.735 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.359 -1.600 -12.583 1.00 0.00 H new ATOM 518 N HIS A 33 0.249 3.287 -11.251 1.00 0.00 N ATOM 519 CA HIS A 33 0.401 4.539 -10.507 1.00 0.00 C ATOM 520 C HIS A 33 -0.938 5.215 -10.243 1.00 0.00 C ATOM 521 O HIS A 33 -1.807 5.228 -11.096 1.00 0.00 O ATOM 522 CB HIS A 33 1.309 5.493 -11.272 1.00 0.00 C ATOM 523 CG HIS A 33 0.828 5.785 -12.660 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.136 6.923 -12.994 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.927 5.065 -13.799 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.171 6.890 -14.272 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.301 5.776 -14.785 1.00 0.00 N ATOM 0 H HIS A 33 0.218 3.405 -12.264 1.00 0.00 H new ATOM 0 HA HIS A 33 0.846 4.291 -9.543 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.390 6.429 -10.719 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.311 5.066 -11.324 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.411 4.106 -13.910 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.719 7.650 -14.809 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.214 5.489 -15.760 1.00 0.00 H new ATOM 536 N ASN A 34 -1.085 5.820 -9.078 1.00 0.00 N ATOM 537 CA ASN A 34 -2.317 6.542 -8.765 1.00 0.00 C ATOM 538 C ASN A 34 -2.264 7.976 -9.278 1.00 0.00 C ATOM 539 O ASN A 34 -3.184 8.754 -9.054 1.00 0.00 O ATOM 540 CB ASN A 34 -2.594 6.556 -7.268 1.00 0.00 C ATOM 541 CG ASN A 34 -2.955 5.190 -6.691 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.695 5.100 -5.713 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.443 4.119 -7.283 1.00 0.00 N ATOM 0 H ASN A 34 -0.382 5.830 -8.339 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.126 6.012 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.714 6.937 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.409 7.251 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.660 3.188 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.832 4.227 -8.093 1.00 0.00 H new ATOM 550 N ARG A 36 -1.178 8.342 -9.946 1.00 0.00 N ATOM 551 CA ARG A 36 -1.101 9.657 -10.575 1.00 0.00 C ATOM 552 C ARG A 36 -1.585 9.577 -12.013 1.00 0.00 C ATOM 553 O ARG A 36 -0.784 9.461 -12.937 1.00 0.00 O ATOM 554 CB ARG A 36 0.323 10.242 -10.534 1.00 0.00 C ATOM 555 CG ARG A 36 0.747 10.802 -9.181 1.00 0.00 C ATOM 556 CD ARG A 36 1.117 9.699 -8.209 1.00 0.00 C ATOM 557 NE ARG A 36 1.340 10.205 -6.855 1.00 0.00 N ATOM 558 CZ ARG A 36 0.575 9.900 -5.803 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.470 9.094 -5.937 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.860 10.416 -4.619 1.00 0.00 N ATOM 0 H ARG A 36 -0.350 7.759 -10.066 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.746 10.326 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.028 9.464 -10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.396 11.035 -11.278 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.598 11.470 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.064 11.398 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.322 8.953 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.018 9.196 -8.560 1.00 0.00 H new ATOM 0 HE ARG A 36 2.131 10.831 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.696 8.700 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.047 8.868 -5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.659 11.042 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.281 10.188 -3.811 1.00 0.00 H new ATOM 574 N THR A 37 -2.892 9.626 -12.184 1.00 0.00 N ATOM 575 CA THR A 37 -3.510 9.531 -13.495 1.00 0.00 C ATOM 576 C THR A 37 -4.309 10.800 -13.769 1.00 0.00 C ATOM 577 O THR A 37 -4.667 11.503 -12.825 1.00 0.00 O ATOM 578 CB THR A 37 -4.428 8.291 -13.583 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.345 8.293 -12.482 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.602 7.010 -13.557 1.00 0.00 C ATOM 0 H THR A 37 -3.557 9.733 -11.418 1.00 0.00 H new ATOM 0 HA THR A 37 -2.728 9.423 -14.247 1.00 0.00 H new ATOM 0 HB THR A 37 -4.981 8.332 -14.522 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.928 7.507 -12.540 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.266 6.148 -13.620 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.916 7.002 -14.404 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.033 6.963 -12.629 1.00 0.00 H new ATOM 588 N PRO A 38 -4.558 11.149 -15.039 1.00 0.00 N ATOM 589 CA PRO A 38 -5.322 12.351 -15.386 1.00 0.00 C ATOM 590 C PRO A 38 -6.674 12.423 -14.671 1.00 0.00 C ATOM 591 O PRO A 38 -7.179 13.508 -14.387 1.00 0.00 O ATOM 592 CB PRO A 38 -5.506 12.260 -16.906 1.00 0.00 C ATOM 593 CG PRO A 38 -4.958 10.933 -17.328 1.00 0.00 C ATOM 594 CD PRO A 38 -4.076 10.436 -16.225 1.00 0.00 C ATOM 0 HA PRO A 38 -4.799 13.255 -15.074 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.559 12.347 -17.174 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.981 13.073 -17.408 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.767 10.228 -17.519 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.394 11.029 -18.256 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.159 9.356 -16.103 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.027 10.655 -16.423 1.00 0.00 H new ATOM 602 N GLU A 39 -7.242 11.262 -14.360 1.00 0.00 N ATOM 603 CA GLU A 39 -8.503 11.191 -13.627 1.00 0.00 C ATOM 604 C GLU A 39 -8.312 11.564 -12.157 1.00 0.00 C ATOM 605 O GLU A 39 -9.252 11.995 -11.487 1.00 0.00 O ATOM 606 CB GLU A 39 -9.079 9.780 -13.724 1.00 0.00 C ATOM 607 CG GLU A 39 -9.466 9.375 -15.129 1.00 0.00 C ATOM 608 CD GLU A 39 -9.884 7.924 -15.213 1.00 0.00 C ATOM 609 OE1 GLU A 39 -9.010 7.066 -15.442 1.00 0.00 O ATOM 610 OE2 GLU A 39 -11.088 7.630 -15.051 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.848 10.354 -14.605 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.194 11.905 -14.075 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.346 9.071 -13.340 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.956 9.711 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.284 10.007 -15.475 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.624 9.548 -15.800 1.00 0.00 H new ATOM 617 N ASN A 40 -7.088 11.417 -11.674 1.00 0.00 N ATOM 618 CA ASN A 40 -6.775 11.643 -10.269 1.00 0.00 C ATOM 619 C ASN A 40 -6.180 13.016 -10.046 1.00 0.00 C ATOM 620 O ASN A 40 -6.353 13.617 -8.987 1.00 0.00 O ATOM 621 CB ASN A 40 -5.805 10.568 -9.764 1.00 0.00 C ATOM 622 CG ASN A 40 -6.515 9.361 -9.178 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.646 9.049 -9.546 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.850 8.661 -8.269 1.00 0.00 N ATOM 0 H ASN A 40 -6.286 11.139 -12.240 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.708 11.584 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.168 10.244 -10.587 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.152 11.002 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.275 7.834 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.913 8.950 -7.988 1.00 0.00 H new ATOM 631 N PHE A 41 -5.481 13.513 -11.045 1.00 0.00 N ATOM 632 CA PHE A 41 -4.845 14.813 -10.953 1.00 0.00 C ATOM 633 C PHE A 41 -5.093 15.612 -12.227 1.00 0.00 C ATOM 634 O PHE A 41 -4.157 15.914 -12.971 1.00 0.00 O ATOM 635 CB PHE A 41 -3.341 14.655 -10.716 1.00 0.00 C ATOM 636 CG PHE A 41 -2.994 13.965 -9.427 1.00 0.00 C ATOM 637 CD1 PHE A 41 -2.870 12.585 -9.374 1.00 0.00 C ATOM 638 CD2 PHE A 41 -2.788 14.697 -8.270 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.548 11.951 -8.190 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.465 14.069 -7.083 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.346 12.693 -7.043 1.00 0.00 C ATOM 0 H PHE A 41 -5.338 13.035 -11.934 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.277 15.352 -10.110 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.910 14.093 -11.544 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.877 15.641 -10.725 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.027 12.000 -10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.881 15.773 -8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.454 10.875 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.306 14.652 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.095 12.199 -6.116 1.00 0.00 H new ATOM 651 N PRO A 42 -6.359 15.971 -12.494 1.00 0.00 N ATOM 652 CA PRO A 42 -6.735 16.687 -13.717 1.00 0.00 C ATOM 653 C PRO A 42 -6.106 18.074 -13.778 1.00 0.00 C ATOM 654 O PRO A 42 -5.776 18.581 -14.852 1.00 0.00 O ATOM 655 CB PRO A 42 -8.266 16.793 -13.629 1.00 0.00 C ATOM 656 CG PRO A 42 -8.675 15.799 -12.595 1.00 0.00 C ATOM 657 CD PRO A 42 -7.527 15.710 -11.635 1.00 0.00 C ATOM 0 HA PRO A 42 -6.391 16.171 -14.613 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.574 17.800 -13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.731 16.573 -14.590 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.586 16.116 -12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.883 14.829 -13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.612 16.445 -10.834 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.470 14.729 -11.163 1.00 0.00 H new ATOM 665 N SER A 43 -5.902 18.656 -12.607 1.00 0.00 N ATOM 666 CA SER A 43 -5.391 20.013 -12.492 1.00 0.00 C ATOM 667 C SER A 43 -3.875 20.052 -12.686 1.00 0.00 C ATOM 668 O SER A 43 -3.254 21.112 -12.595 1.00 0.00 O ATOM 669 CB SER A 43 -5.767 20.576 -11.122 1.00 0.00 C ATOM 670 OG SER A 43 -7.133 20.309 -10.834 1.00 0.00 O ATOM 0 H SER A 43 -6.085 18.203 -11.712 1.00 0.00 H new ATOM 0 HA SER A 43 -5.838 20.625 -13.276 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.134 20.133 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.588 21.651 -11.102 1.00 0.00 H new ATOM 0 HG SER A 43 -7.359 20.674 -9.953 1.00 0.00 H new ATOM 676 N LYS A 44 -3.281 18.890 -12.941 1.00 0.00 N ATOM 677 CA LYS A 44 -1.851 18.820 -13.197 1.00 0.00 C ATOM 678 C LYS A 44 -1.573 18.494 -14.661 1.00 0.00 C ATOM 679 O LYS A 44 -0.424 18.454 -15.095 1.00 0.00 O ATOM 680 CB LYS A 44 -1.164 17.800 -12.284 1.00 0.00 C ATOM 681 CG LYS A 44 -0.981 18.272 -10.843 1.00 0.00 C ATOM 682 CD LYS A 44 -2.284 18.260 -10.056 1.00 0.00 C ATOM 683 CE LYS A 44 -2.060 18.578 -8.582 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.579 19.968 -8.364 1.00 0.00 N1+ ATOM 0 H LYS A 44 -3.765 17.993 -12.975 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.435 19.803 -12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.748 16.880 -12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.187 17.556 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.253 17.632 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.570 19.282 -10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.973 18.988 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.755 17.282 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.992 18.430 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.334 17.877 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.556 20.171 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.623 20.070 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.222 20.636 -8.836 1.00 0.00 H new ATOM 698 N ASN A 45 -2.659 18.245 -15.403 1.00 0.00 N ATOM 699 CA ASN A 45 -2.608 18.042 -16.855 1.00 0.00 C ATOM 700 C ASN A 45 -1.777 16.826 -17.244 1.00 0.00 C ATOM 701 O ASN A 45 -0.758 16.947 -17.908 1.00 0.00 O ATOM 702 CB ASN A 45 -2.065 19.293 -17.561 1.00 0.00 C ATOM 703 CG ASN A 45 -3.105 20.389 -17.722 1.00 0.00 C ATOM 704 OD1 ASN A 45 -3.023 21.203 -18.641 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.097 20.411 -16.847 1.00 0.00 N ATOM 0 H ASN A 45 -3.599 18.179 -15.012 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.632 17.859 -17.180 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.220 19.684 -16.995 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.687 19.012 -18.544 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.827 21.119 -16.921 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.132 19.720 -16.098 1.00 0.00 H new ATOM 712 N LEU A 46 -2.239 15.647 -16.872 1.00 0.00 N ATOM 713 CA LEU A 46 -1.511 14.415 -17.157 1.00 0.00 C ATOM 714 C LEU A 46 -1.718 13.981 -18.607 1.00 0.00 C ATOM 715 O LEU A 46 -2.391 12.993 -18.896 1.00 0.00 O ATOM 716 CB LEU A 46 -1.938 13.324 -16.169 1.00 0.00 C ATOM 717 CG LEU A 46 -1.023 13.159 -14.940 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.141 14.382 -14.735 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.841 12.897 -13.680 1.00 0.00 C ATOM 0 H LEU A 46 -3.117 15.512 -16.370 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.443 14.592 -17.029 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.948 13.544 -15.823 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.983 12.373 -16.699 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.382 12.298 -15.130 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.491 14.232 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.486 14.530 -15.614 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.767 15.261 -14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.171 12.784 -12.828 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.515 13.735 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.423 11.984 -13.807 1.00 0.00 H new ATOM 731 N ASP A 47 -1.116 14.752 -19.509 1.00 0.00 N ATOM 732 CA ASP A 47 -1.204 14.517 -20.944 1.00 0.00 C ATOM 733 C ASP A 47 -0.179 13.491 -21.396 1.00 0.00 C ATOM 734 O ASP A 47 1.009 13.621 -21.091 1.00 0.00 O ATOM 735 CB ASP A 47 -0.947 15.818 -21.707 1.00 0.00 C ATOM 736 CG ASP A 47 -2.007 16.870 -21.485 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.117 16.726 -22.037 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.726 17.859 -20.773 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.550 15.563 -19.261 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.206 14.144 -21.154 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.020 16.220 -21.406 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.884 15.598 -22.773 1.00 0.00 H new ATOM 743 N GLU A 48 -0.647 12.496 -22.149 1.00 0.00 N ATOM 744 CA GLU A 48 0.206 11.464 -22.737 1.00 0.00 C ATOM 745 C GLU A 48 1.182 10.871 -21.732 1.00 0.00 C ATOM 746 O GLU A 48 0.826 10.019 -20.922 1.00 0.00 O ATOM 747 CB GLU A 48 0.998 12.010 -23.928 1.00 0.00 C ATOM 748 CG GLU A 48 0.207 12.147 -25.221 1.00 0.00 C ATOM 749 CD GLU A 48 -0.872 13.205 -25.173 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.923 12.971 -24.544 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.679 14.268 -25.792 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.636 12.383 -22.370 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.469 10.676 -23.071 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.399 12.988 -23.660 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.850 11.355 -24.109 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.895 12.381 -26.033 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.251 11.187 -25.458 1.00 0.00 H new ATOM 758 N ASN A 49 2.419 11.343 -21.798 1.00 0.00 N ATOM 759 CA ASN A 49 3.480 10.869 -20.929 1.00 0.00 C ATOM 760 C ASN A 49 4.471 11.988 -20.679 1.00 0.00 C ATOM 761 O ASN A 49 5.595 11.751 -20.246 1.00 0.00 O ATOM 762 CB ASN A 49 4.197 9.652 -21.525 1.00 0.00 C ATOM 763 CG ASN A 49 4.927 9.929 -22.835 1.00 0.00 C ATOM 764 OD1 ASN A 49 6.058 9.494 -23.022 1.00 0.00 O ATOM 765 ND2 ASN A 49 4.272 10.595 -23.774 1.00 0.00 N ATOM 0 H ASN A 49 2.712 12.065 -22.456 1.00 0.00 H new ATOM 0 HA ASN A 49 3.032 10.558 -19.985 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.915 9.276 -20.796 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.466 8.860 -21.691 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.708 10.758 -24.682 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.332 10.945 -23.589 1.00 0.00 H new ATOM 772 N TYR A 50 4.039 13.210 -20.968 1.00 0.00 N ATOM 773 CA TYR A 50 4.871 14.387 -20.745 1.00 0.00 C ATOM 774 C TYR A 50 5.280 14.462 -19.284 1.00 0.00 C ATOM 775 O TYR A 50 4.503 14.091 -18.404 1.00 0.00 O ATOM 776 CB TYR A 50 4.122 15.673 -21.095 1.00 0.00 C ATOM 777 CG TYR A 50 3.433 15.676 -22.441 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.773 14.770 -23.440 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.427 16.596 -22.702 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.120 14.787 -24.664 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.777 16.619 -23.916 1.00 0.00 C ATOM 782 CZ TYR A 50 2.122 15.716 -24.892 1.00 0.00 C ATOM 783 OH TYR A 50 1.465 15.746 -26.101 1.00 0.00 O ATOM 0 H TYR A 50 3.118 13.412 -21.357 1.00 0.00 H new ATOM 0 HA TYR A 50 5.747 14.294 -21.387 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.375 15.860 -20.323 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.827 16.504 -21.065 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.554 14.046 -23.261 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.149 17.307 -21.939 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.390 14.079 -25.434 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.999 17.345 -24.100 1.00 0.00 H new ATOM 0 HH TYR A 50 0.578 15.342 -26.001 1.00 0.00 H new ATOM 793 N CYS A 51 6.487 14.937 -19.034 1.00 0.00 N ATOM 794 CA CYS A 51 6.961 15.126 -17.671 1.00 0.00 C ATOM 795 C CYS A 51 6.124 16.166 -16.936 1.00 0.00 C ATOM 796 O CYS A 51 6.442 17.355 -16.940 1.00 0.00 O ATOM 797 CB CYS A 51 8.417 15.562 -17.673 1.00 0.00 C ATOM 798 SG CYS A 51 9.582 14.307 -18.276 1.00 0.00 S ATOM 0 H CYS A 51 7.158 15.200 -19.756 1.00 0.00 H new ATOM 0 HA CYS A 51 6.867 14.172 -17.153 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.514 16.455 -18.290 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.700 15.843 -16.659 1.00 0.00 H new ATOM 803 N ARG A 52 5.048 15.710 -16.325 1.00 0.00 N ATOM 804 CA ARG A 52 4.190 16.568 -15.529 1.00 0.00 C ATOM 805 C ARG A 52 4.584 16.471 -14.068 1.00 0.00 C ATOM 806 O ARG A 52 5.540 15.783 -13.719 1.00 0.00 O ATOM 807 CB ARG A 52 2.728 16.162 -15.702 1.00 0.00 C ATOM 808 CG ARG A 52 2.169 16.424 -17.093 1.00 0.00 C ATOM 809 CD ARG A 52 2.240 17.898 -17.475 1.00 0.00 C ATOM 810 NE ARG A 52 1.396 18.193 -18.638 1.00 0.00 N ATOM 811 CZ ARG A 52 1.417 19.331 -19.323 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.253 20.300 -18.982 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.575 19.510 -20.334 1.00 0.00 N ATOM 0 H ARG A 52 4.744 14.737 -16.366 1.00 0.00 H new ATOM 0 HA ARG A 52 4.309 17.598 -15.866 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.628 15.100 -15.476 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.124 16.701 -14.972 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.724 15.834 -17.823 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.133 16.089 -17.135 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.924 18.510 -16.630 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.273 18.169 -17.695 1.00 0.00 H new ATOM 0 HE ARG A 52 0.744 17.470 -18.944 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.884 20.174 -18.191 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.266 21.172 -19.511 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.086 18.774 -20.583 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.589 20.383 -20.861 1.00 0.00 H new ATOM 827 N ASN A 53 3.854 17.154 -13.216 1.00 0.00 N ATOM 828 CA ASN A 53 4.090 17.056 -11.784 1.00 0.00 C ATOM 829 C ASN A 53 2.763 16.896 -11.041 1.00 0.00 C ATOM 830 O ASN A 53 2.308 17.808 -10.355 1.00 0.00 O ATOM 831 CB ASN A 53 4.839 18.291 -11.283 1.00 0.00 C ATOM 832 CG ASN A 53 5.377 18.119 -9.879 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.001 17.194 -9.158 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.254 19.026 -9.478 1.00 0.00 N ATOM 0 H ASN A 53 3.095 17.781 -13.482 1.00 0.00 H new ATOM 0 HA ASN A 53 4.706 16.178 -11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.665 18.509 -11.960 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.170 19.151 -11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.647 18.975 -8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.537 19.776 -10.109 1.00 0.00 H new ATOM 841 N PRO A 54 2.111 15.730 -11.194 1.00 0.00 N ATOM 842 CA PRO A 54 0.834 15.454 -10.533 1.00 0.00 C ATOM 843 C PRO A 54 0.966 15.322 -9.018 1.00 0.00 C ATOM 844 O PRO A 54 0.175 15.892 -8.269 1.00 0.00 O ATOM 845 CB PRO A 54 0.379 14.127 -11.147 1.00 0.00 C ATOM 846 CG PRO A 54 1.608 13.498 -11.710 1.00 0.00 C ATOM 847 CD PRO A 54 2.556 14.614 -12.045 1.00 0.00 C ATOM 0 HA PRO A 54 0.128 16.270 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.080 13.485 -10.395 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.368 14.291 -11.924 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.056 12.814 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.370 12.914 -12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.589 14.337 -11.832 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.507 14.875 -13.102 1.00 0.00 H new ATOM 855 N ASP A 55 1.966 14.563 -8.581 1.00 0.00 N ATOM 856 CA ASP A 55 2.190 14.315 -7.157 1.00 0.00 C ATOM 857 C ASP A 55 2.489 15.611 -6.403 1.00 0.00 C ATOM 858 O ASP A 55 1.941 15.865 -5.329 1.00 0.00 O ATOM 859 CB ASP A 55 3.347 13.331 -6.972 1.00 0.00 C ATOM 860 CG ASP A 55 3.533 12.911 -5.529 1.00 0.00 C ATOM 861 OD1 ASP A 55 4.259 13.606 -4.790 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 2.957 11.875 -5.142 1.00 0.00 O1- ATOM 0 H ASP A 55 2.639 14.105 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 55 1.276 13.887 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.167 12.446 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.268 13.787 -7.335 1.00 0.00 H new ATOM 867 N GLY A 56 3.347 16.435 -6.988 1.00 0.00 N ATOM 868 CA GLY A 56 3.735 17.681 -6.361 1.00 0.00 C ATOM 869 C GLY A 56 5.152 17.637 -5.838 1.00 0.00 C ATOM 870 O GLY A 56 5.410 17.946 -4.676 1.00 0.00 O ATOM 0 H GLY A 56 3.784 16.260 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.640 18.494 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.053 17.901 -5.540 1.00 0.00 H new ATOM 874 N LYS A 57 6.071 17.254 -6.708 1.00 0.00 N ATOM 875 CA LYS A 57 7.479 17.211 -6.360 1.00 0.00 C ATOM 876 C LYS A 57 8.100 18.577 -6.606 1.00 0.00 C ATOM 877 O LYS A 57 7.397 19.517 -6.967 1.00 0.00 O ATOM 878 CB LYS A 57 8.218 16.147 -7.182 1.00 0.00 C ATOM 879 CG LYS A 57 7.521 14.796 -7.220 1.00 0.00 C ATOM 880 CD LYS A 57 7.273 14.235 -5.830 1.00 0.00 C ATOM 881 CE LYS A 57 8.572 13.948 -5.102 1.00 0.00 C ATOM 882 NZ LYS A 57 8.335 13.300 -3.786 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.865 16.967 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 57 7.569 16.947 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.338 16.511 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.219 16.016 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.570 14.895 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.128 14.093 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.680 14.944 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.688 13.318 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.199 13.303 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.120 14.879 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.246 13.120 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.758 13.927 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.834 12.399 -3.928 1.00 0.00 H new ATOM 896 N ARG A 59 9.405 18.688 -6.438 1.00 0.00 N ATOM 897 CA ARG A 59 10.086 19.953 -6.675 1.00 0.00 C ATOM 898 C ARG A 59 10.232 20.220 -8.171 1.00 0.00 C ATOM 899 O ARG A 59 10.401 21.362 -8.593 1.00 0.00 O ATOM 900 CB ARG A 59 11.459 19.947 -6.008 1.00 0.00 C ATOM 901 CG ARG A 59 12.411 18.913 -6.581 1.00 0.00 C ATOM 902 CD ARG A 59 13.684 18.834 -5.755 1.00 0.00 C ATOM 903 NE ARG A 59 14.632 17.846 -6.272 1.00 0.00 N ATOM 904 CZ ARG A 59 15.573 17.265 -5.527 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.693 17.574 -4.240 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.402 16.378 -6.066 1.00 0.00 N ATOM 0 H ARG A 59 10.013 17.925 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 59 9.483 20.750 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.907 20.936 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.334 19.761 -4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.925 17.937 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.656 19.170 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.161 19.814 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.429 18.583 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 59 14.569 17.588 -7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.064 18.258 -3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.414 17.127 -3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.320 16.139 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.120 15.936 -5.492 1.00 0.00 H new ATOM 920 N ALA A 60 10.145 19.163 -8.965 1.00 0.00 N ATOM 921 CA ALA A 60 10.355 19.265 -10.402 1.00 0.00 C ATOM 922 C ALA A 60 9.499 18.248 -11.145 1.00 0.00 C ATOM 923 O ALA A 60 9.025 17.281 -10.544 1.00 0.00 O ATOM 924 CB ALA A 60 11.829 19.056 -10.721 1.00 0.00 C ATOM 0 H ALA A 60 9.930 18.221 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 60 10.057 20.260 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.983 19.133 -11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.422 19.817 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.139 18.068 -10.380 1.00 0.00 H new ATOM 930 N PRO A 61 9.274 18.469 -12.457 1.00 0.00 N ATOM 931 CA PRO A 61 8.533 17.535 -13.313 1.00 0.00 C ATOM 932 C PRO A 61 9.110 16.130 -13.262 1.00 0.00 C ATOM 933 O PRO A 61 10.333 15.945 -13.217 1.00 0.00 O ATOM 934 CB PRO A 61 8.712 18.124 -14.713 1.00 0.00 C ATOM 935 CG PRO A 61 8.914 19.569 -14.476 1.00 0.00 C ATOM 936 CD PRO A 61 9.708 19.659 -13.207 1.00 0.00 C ATOM 0 HA PRO A 61 7.493 17.434 -13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.566 17.681 -15.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.837 17.941 -15.337 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.447 20.032 -15.306 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.960 20.088 -14.380 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.781 19.645 -13.401 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.495 20.579 -12.662 1.00 0.00 H new ATOM 944 N TRP A 62 8.234 15.146 -13.287 1.00 0.00 N ATOM 945 CA TRP A 62 8.643 13.766 -13.166 1.00 0.00 C ATOM 946 C TRP A 62 7.690 12.867 -13.932 1.00 0.00 C ATOM 947 O TRP A 62 6.620 13.303 -14.353 1.00 0.00 O ATOM 948 CB TRP A 62 8.691 13.362 -11.692 1.00 0.00 C ATOM 949 CG TRP A 62 7.356 13.367 -11.005 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.737 14.423 -10.403 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.493 12.245 -10.832 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.537 14.020 -9.861 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.368 12.681 -10.108 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.571 10.911 -11.221 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.330 11.814 -9.764 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.543 10.060 -10.880 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.438 10.515 -10.154 1.00 0.00 C ATOM 0 H TRP A 62 7.228 15.281 -13.391 1.00 0.00 H new ATOM 0 HA TRP A 62 9.640 13.654 -13.592 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.122 12.364 -11.615 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.361 14.040 -11.163 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.130 15.428 -10.358 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.882 14.619 -9.359 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.422 10.550 -11.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.472 12.162 -9.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.591 9.023 -11.179 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.653 9.820 -9.897 1.00 0.00 H new ATOM 968 N CYS A 63 8.075 11.620 -14.118 1.00 0.00 N ATOM 969 CA CYS A 63 7.208 10.670 -14.782 1.00 0.00 C ATOM 970 C CYS A 63 7.533 9.251 -14.334 1.00 0.00 C ATOM 971 O CYS A 63 8.489 9.026 -13.593 1.00 0.00 O ATOM 972 CB CYS A 63 7.353 10.793 -16.303 1.00 0.00 C ATOM 973 SG CYS A 63 8.899 10.087 -16.956 1.00 0.00 S ATOM 0 H CYS A 63 8.975 11.244 -13.821 1.00 0.00 H new ATOM 0 HA CYS A 63 6.176 10.892 -14.510 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.508 10.296 -16.780 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.301 11.846 -16.579 1.00 0.00 H new ATOM 978 N HIS A 64 6.722 8.297 -14.768 1.00 0.00 N ATOM 979 CA HIS A 64 6.941 6.897 -14.432 1.00 0.00 C ATOM 980 C HIS A 64 7.723 6.250 -15.547 1.00 0.00 C ATOM 981 O HIS A 64 7.374 6.403 -16.703 1.00 0.00 O ATOM 982 CB HIS A 64 5.605 6.174 -14.222 1.00 0.00 C ATOM 983 CG HIS A 64 4.829 6.729 -13.074 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.853 7.691 -13.225 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.901 6.472 -11.745 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.357 8.000 -12.042 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.975 7.275 -11.130 1.00 0.00 N ATOM 0 H HIS A 64 5.905 8.467 -15.355 1.00 0.00 H new ATOM 0 HA HIS A 64 7.503 6.829 -13.501 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.008 6.250 -15.131 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.792 5.114 -14.051 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.562 5.768 -11.262 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.578 8.723 -11.853 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.793 7.307 -10.127 1.00 0.00 H new ATOM 996 N THR A 65 8.794 5.563 -15.213 1.00 0.00 N ATOM 997 CA THR A 65 9.626 4.958 -16.232 1.00 0.00 C ATOM 998 C THR A 65 8.972 3.696 -16.767 1.00 0.00 C ATOM 999 O THR A 65 8.272 2.989 -16.037 1.00 0.00 O ATOM 1000 CB THR A 65 11.027 4.620 -15.684 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.954 3.494 -14.806 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.606 5.805 -14.931 1.00 0.00 C ATOM 0 H THR A 65 9.107 5.410 -14.254 1.00 0.00 H new ATOM 0 HA THR A 65 9.736 5.681 -17.040 1.00 0.00 H new ATOM 0 HB THR A 65 11.674 4.383 -16.528 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.489 3.751 -13.982 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.595 5.547 -14.552 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.686 6.659 -15.603 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.953 6.060 -14.097 1.00 0.00 H new ATOM 1010 N THR A 66 9.181 3.432 -18.049 1.00 0.00 N ATOM 1011 CA THR A 66 8.737 2.193 -18.664 1.00 0.00 C ATOM 1012 C THR A 66 9.618 1.014 -18.237 1.00 0.00 C ATOM 1013 O THR A 66 9.709 0.003 -18.933 1.00 0.00 O ATOM 1014 CB THR A 66 8.747 2.311 -20.196 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.998 2.859 -20.629 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.605 3.193 -20.678 1.00 0.00 C ATOM 0 H THR A 66 9.660 4.067 -18.687 1.00 0.00 H new ATOM 0 HA THR A 66 7.718 2.009 -18.325 1.00 0.00 H new ATOM 0 HB THR A 66 8.617 1.316 -20.621 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.372 2.298 -21.340 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.632 3.262 -21.765 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.654 2.761 -20.366 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.709 4.190 -20.249 1.00 0.00 H new ATOM 1024 N ASN A 67 10.263 1.161 -17.089 1.00 0.00 N ATOM 1025 CA ASN A 67 11.129 0.125 -16.547 1.00 0.00 C ATOM 1026 C ASN A 67 10.554 -0.390 -15.241 1.00 0.00 C ATOM 1027 O ASN A 67 9.998 0.374 -14.456 1.00 0.00 O ATOM 1028 CB ASN A 67 12.547 0.667 -16.313 1.00 0.00 C ATOM 1029 CG ASN A 67 13.233 1.071 -17.603 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.933 0.274 -18.219 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.045 2.320 -18.017 1.00 0.00 N ATOM 0 H ASN A 67 10.201 1.998 -16.509 1.00 0.00 H new ATOM 0 HA ASN A 67 11.186 -0.691 -17.268 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.498 1.528 -15.646 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.145 -0.093 -15.810 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.490 2.645 -18.875 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.455 2.953 -17.477 1.00 0.00 H new ATOM 1038 N SER A 68 10.681 -1.684 -15.010 1.00 0.00 N ATOM 1039 CA SER A 68 10.220 -2.286 -13.772 1.00 0.00 C ATOM 1040 C SER A 68 11.326 -2.216 -12.727 1.00 0.00 C ATOM 1041 O SER A 68 11.163 -2.661 -11.591 1.00 0.00 O ATOM 1042 CB SER A 68 9.807 -3.737 -14.015 1.00 0.00 C ATOM 1043 OG SER A 68 8.877 -3.827 -15.082 1.00 0.00 O ATOM 0 H SER A 68 11.102 -2.341 -15.667 1.00 0.00 H new ATOM 0 HA SER A 68 9.352 -1.737 -13.406 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.688 -4.337 -14.244 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.367 -4.151 -13.108 1.00 0.00 H new ATOM 0 HG SER A 68 8.628 -4.765 -15.221 1.00 0.00 H new ATOM 1049 N GLN A 69 12.450 -1.639 -13.130 1.00 0.00 N ATOM 1050 CA GLN A 69 13.603 -1.492 -12.256 1.00 0.00 C ATOM 1051 C GLN A 69 13.394 -0.294 -11.342 1.00 0.00 C ATOM 1052 O GLN A 69 13.255 -0.427 -10.126 1.00 0.00 O ATOM 1053 CB GLN A 69 14.871 -1.291 -13.090 1.00 0.00 C ATOM 1054 CG GLN A 69 14.993 -2.242 -14.271 1.00 0.00 C ATOM 1055 CD GLN A 69 16.333 -2.126 -14.969 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.296 -2.795 -14.598 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.400 -1.292 -15.996 1.00 0.00 N ATOM 0 H GLN A 69 12.587 -1.262 -14.068 1.00 0.00 H new ATOM 0 HA GLN A 69 13.716 -2.394 -11.655 1.00 0.00 H new ATOM 0 HB2 GLN A 69 14.892 -0.266 -13.459 1.00 0.00 H new ATOM 0 HB3 GLN A 69 15.741 -1.416 -12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.854 -3.266 -13.925 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.195 -2.035 -14.985 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.578 -0.755 -16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.274 -1.187 -16.511 1.00 0.00 H new ATOM 1066 N VAL A 70 13.361 0.872 -11.955 1.00 0.00 N ATOM 1067 CA VAL A 70 13.094 2.114 -11.262 1.00 0.00 C ATOM 1068 C VAL A 70 11.616 2.461 -11.411 1.00 0.00 C ATOM 1069 O VAL A 70 10.975 2.058 -12.382 1.00 0.00 O ATOM 1070 CB VAL A 70 13.973 3.249 -11.840 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.769 3.374 -13.339 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.703 4.573 -11.141 1.00 0.00 C ATOM 0 H VAL A 70 13.520 0.984 -12.956 1.00 0.00 H new ATOM 0 HA VAL A 70 13.335 2.000 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 70 15.016 2.989 -11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.396 4.177 -13.726 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.042 2.436 -13.823 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.723 3.598 -13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.337 5.348 -11.572 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.656 4.847 -11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.922 4.474 -10.078 1.00 0.00 H new ATOM 1082 N ARG A 71 11.066 3.166 -10.443 1.00 0.00 N ATOM 1083 CA ARG A 71 9.677 3.572 -10.514 1.00 0.00 C ATOM 1084 C ARG A 71 9.548 4.880 -11.292 1.00 0.00 C ATOM 1085 O ARG A 71 9.459 4.875 -12.525 1.00 0.00 O ATOM 1086 CB ARG A 71 9.082 3.704 -9.107 1.00 0.00 C ATOM 1087 CG ARG A 71 7.592 4.014 -9.096 1.00 0.00 C ATOM 1088 CD ARG A 71 6.994 3.864 -7.703 1.00 0.00 C ATOM 1089 NE ARG A 71 7.666 4.704 -6.711 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.221 4.896 -5.469 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.077 4.345 -5.070 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 7.929 5.634 -4.623 1.00 0.00 N ATOM 0 H ARG A 71 11.557 3.469 -9.602 1.00 0.00 H new ATOM 0 HA ARG A 71 9.113 2.804 -11.044 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.254 2.776 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.611 4.492 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.429 5.031 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.077 3.347 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.936 4.122 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.058 2.821 -7.394 1.00 0.00 H new ATOM 0 HE ARG A 71 8.529 5.172 -6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.535 3.771 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.743 4.496 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.810 6.052 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.592 5.784 -3.672 1.00 0.00 H new ATOM 1106 N TRP A 72 9.512 5.991 -10.577 1.00 0.00 N ATOM 1107 CA TRP A 72 9.444 7.297 -11.203 1.00 0.00 C ATOM 1108 C TRP A 72 10.837 7.917 -11.326 1.00 0.00 C ATOM 1109 O TRP A 72 11.778 7.484 -10.658 1.00 0.00 O ATOM 1110 CB TRP A 72 8.485 8.214 -10.437 1.00 0.00 C ATOM 1111 CG TRP A 72 8.921 8.559 -9.050 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.831 7.776 -7.939 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.495 9.797 -8.624 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.324 8.446 -6.849 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.740 9.689 -7.243 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.834 10.981 -9.279 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.303 10.726 -6.506 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.389 12.009 -8.547 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.622 11.874 -7.173 1.00 0.00 C ATOM 0 H TRP A 72 9.529 6.013 -9.557 1.00 0.00 H new ATOM 0 HA TRP A 72 9.051 7.175 -12.212 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.358 9.137 -11.003 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.508 7.734 -10.387 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.430 6.773 -7.920 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.373 8.078 -5.899 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.665 11.090 -10.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.481 10.627 -5.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.648 12.933 -9.041 1.00 0.00 H new ATOM 0 HH2 TRP A 72 11.064 12.696 -6.629 1.00 0.00 H new ATOM 1130 N GLU A 73 10.951 8.930 -12.171 1.00 0.00 N ATOM 1131 CA GLU A 73 12.210 9.635 -12.397 1.00 0.00 C ATOM 1132 C GLU A 73 11.929 11.104 -12.701 1.00 0.00 C ATOM 1133 O GLU A 73 10.917 11.430 -13.324 1.00 0.00 O ATOM 1134 CB GLU A 73 12.967 9.004 -13.572 1.00 0.00 C ATOM 1135 CG GLU A 73 13.844 7.824 -13.203 1.00 0.00 C ATOM 1136 CD GLU A 73 15.272 8.222 -12.892 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.543 8.676 -11.762 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.136 8.087 -13.787 1.00 0.00 O1- ATOM 0 H GLU A 73 10.172 9.290 -12.723 1.00 0.00 H new ATOM 0 HA GLU A 73 12.822 9.559 -11.498 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.244 8.681 -14.321 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.588 9.769 -14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.417 7.318 -12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.843 7.107 -14.024 1.00 0.00 H new ATOM 1145 N TYR A 74 12.814 11.982 -12.240 1.00 0.00 N ATOM 1146 CA TYR A 74 12.708 13.409 -12.527 1.00 0.00 C ATOM 1147 C TYR A 74 13.033 13.697 -13.983 1.00 0.00 C ATOM 1148 O TYR A 74 13.576 12.848 -14.691 1.00 0.00 O ATOM 1149 CB TYR A 74 13.663 14.219 -11.650 1.00 0.00 C ATOM 1150 CG TYR A 74 13.218 14.373 -10.217 1.00 0.00 C ATOM 1151 CD1 TYR A 74 12.082 15.107 -9.903 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.945 13.805 -9.181 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.681 15.267 -8.589 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.550 13.957 -7.867 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.421 14.689 -7.576 1.00 0.00 C ATOM 1156 OH TYR A 74 12.025 14.841 -6.265 1.00 0.00 O ATOM 0 H TYR A 74 13.616 11.729 -11.663 1.00 0.00 H new ATOM 0 HA TYR A 74 11.679 13.701 -12.315 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.642 13.741 -11.664 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.786 15.210 -12.087 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.504 15.559 -10.695 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.834 13.235 -9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.795 15.840 -8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.124 13.504 -7.072 1.00 0.00 H new ATOM 0 HH TYR A 74 12.653 14.372 -5.677 1.00 0.00 H new ATOM 1166 N CYS A 75 12.726 14.909 -14.415 1.00 0.00 N ATOM 1167 CA CYS A 75 13.045 15.334 -15.771 1.00 0.00 C ATOM 1168 C CYS A 75 13.753 16.681 -15.764 1.00 0.00 C ATOM 1169 O CYS A 75 13.384 17.588 -15.015 1.00 0.00 O ATOM 1170 CB CYS A 75 11.785 15.451 -16.622 1.00 0.00 C ATOM 1171 SG CYS A 75 10.726 13.974 -16.639 1.00 0.00 S ATOM 0 H CYS A 75 12.257 15.616 -13.849 1.00 0.00 H new ATOM 0 HA CYS A 75 13.701 14.576 -16.198 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.198 16.296 -16.260 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.077 15.681 -17.647 1.00 0.00 H new ATOM 1176 N LYS A 76 14.756 16.815 -16.611 1.00 0.00 N ATOM 1177 CA LYS A 76 15.475 18.070 -16.732 1.00 0.00 C ATOM 1178 C LYS A 76 14.765 18.989 -17.717 1.00 0.00 C ATOM 1179 O LYS A 76 15.004 18.930 -18.923 1.00 0.00 O ATOM 1180 CB LYS A 76 16.923 17.831 -17.173 1.00 0.00 C ATOM 1181 CG LYS A 76 17.689 19.113 -17.475 1.00 0.00 C ATOM 1182 CD LYS A 76 19.132 18.834 -17.858 1.00 0.00 C ATOM 1183 CE LYS A 76 19.966 18.432 -16.654 1.00 0.00 C ATOM 1184 NZ LYS A 76 20.054 19.532 -15.653 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.091 16.072 -17.224 1.00 0.00 H new ATOM 0 HA LYS A 76 15.494 18.550 -15.753 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.446 17.281 -16.391 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.924 17.200 -18.061 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.195 19.648 -18.286 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.665 19.765 -16.602 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.163 18.040 -18.604 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.564 19.722 -18.320 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.529 17.549 -16.187 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.969 18.157 -16.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.882 19.381 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.149 20.443 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.192 19.541 -15.071 1.00 0.00 H new ATOM 1198 N ILE A 77 13.853 19.800 -17.203 1.00 0.00 N ATOM 1199 CA ILE A 77 13.229 20.834 -18.009 1.00 0.00 C ATOM 1200 C ILE A 77 14.112 22.080 -17.930 1.00 0.00 C ATOM 1201 O ILE A 77 14.761 22.288 -16.906 1.00 0.00 O ATOM 1202 CB ILE A 77 11.794 21.151 -17.505 1.00 0.00 C ATOM 1203 CG1 ILE A 77 10.950 19.873 -17.398 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.091 22.165 -18.398 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.090 18.916 -18.564 1.00 0.00 C ATOM 0 H ILE A 77 13.531 19.762 -16.236 1.00 0.00 H new ATOM 0 HA ILE A 77 13.136 20.494 -19.041 1.00 0.00 H new ATOM 0 HB ILE A 77 11.897 21.589 -16.512 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.225 19.349 -16.482 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.901 20.155 -17.302 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.091 22.359 -18.011 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.661 23.094 -18.412 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.018 21.769 -19.411 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.457 18.045 -18.398 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.785 19.416 -19.484 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.129 18.598 -18.651 1.00 0.00 H new ATOM 1217 N PRO A 78 14.193 22.905 -19.000 1.00 0.00 N ATOM 1218 CA PRO A 78 14.997 24.132 -18.981 1.00 0.00 C ATOM 1219 C PRO A 78 14.521 25.094 -17.904 1.00 0.00 C ATOM 1220 O PRO A 78 13.640 24.776 -17.120 1.00 0.00 O ATOM 1221 CB PRO A 78 14.777 24.736 -20.370 1.00 0.00 C ATOM 1222 CG PRO A 78 14.331 23.597 -21.208 1.00 0.00 C ATOM 1223 CD PRO A 78 13.520 22.732 -20.293 1.00 0.00 C ATOM 0 HA PRO A 78 16.046 23.933 -18.760 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.027 25.526 -20.344 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.694 25.179 -20.759 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.737 23.940 -22.055 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.182 23.051 -21.615 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.478 23.051 -20.253 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.522 21.690 -20.614 1.00 0.00 H new