USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 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 79 LYS NZ :NH3+ -166:sc= 2.36 (180deg=0.521) USER MOD Set 1.2: A 92 TYR OH : rot -130:sc= 1.05 USER MOD Set 2.1: A 41 THR OG1 : rot -110:sc= 0.928 USER MOD Set 2.2: A 75 CYS SG : rot -166:sc= 2.03 USER MOD Set 3.1: A 37 ASN : amide:sc= 0.995 K(o=1.7,f=0.77) USER MOD Set 3.2: A 74 SER OG : rot 138:sc= 0.731 USER MOD Set 4.1: A 27 THR OG1 : rot -145:sc= -1.16 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.0917 K(o=-1.1,f=-1.8) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -129:sc= 1.08 (180deg=-0.181) USER MOD Set 5.2: A 14 TYR OH : rot -103:sc= 2.25 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.22 K(o=1.2,f=0.075) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 2.41 (180deg=2.2) USER MOD Single : A 20 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.071) USER MOD Single : A 21 ASN : amide:sc=-0.00172 K(o=-0.0017,f=-1.7) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0749 K(o=-0.075,f=-0.87) USER MOD Single : A 44 SER OG : rot 180:sc= -0.128 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.27) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 1.12 (180deg=0.469) USER MOD Single : A 63 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.537) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -174:sc= -1.23 (180deg=-1.33) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 1.07 (180deg=0.8) USER MOD Single : A 87 SER OG : rot 180:sc= 0.178 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 1.27 K(o=1.3,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 15.846 2.867 4.173 1.00 1.13 N ATOM 65 CA GLU A 5 15.127 4.128 4.254 1.00 1.19 C ATOM 66 C GLU A 5 13.883 4.115 3.379 1.00 1.05 C ATOM 67 O GLU A 5 13.910 3.618 2.251 1.00 1.01 O ATOM 68 CB GLU A 5 16.041 5.279 3.835 1.00 1.48 C ATOM 69 CG GLU A 5 16.704 5.981 5.005 1.00 1.61 C ATOM 70 CD GLU A 5 15.697 6.560 5.976 1.00 2.22 C ATOM 71 OE1 GLU A 5 15.116 7.625 5.675 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.484 5.957 7.046 1.00 2.57 O ATOM 0 HA GLU A 5 14.813 4.268 5.288 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.812 4.895 3.167 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.460 6.006 3.267 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.348 5.276 5.531 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.344 6.780 4.631 1.00 1.61 H new ATOM 79 N ILE A 6 12.793 4.663 3.904 1.00 1.00 N ATOM 80 CA ILE A 6 11.545 4.732 3.162 1.00 0.88 C ATOM 81 C ILE A 6 11.564 5.941 2.232 1.00 0.86 C ATOM 82 O ILE A 6 11.118 7.030 2.595 1.00 0.90 O ATOM 83 CB ILE A 6 10.317 4.825 4.096 1.00 0.86 C ATOM 84 CG1 ILE A 6 10.391 3.758 5.189 1.00 0.94 C ATOM 85 CG2 ILE A 6 9.031 4.666 3.294 1.00 0.79 C ATOM 86 CD1 ILE A 6 9.362 3.944 6.288 1.00 0.92 C ATOM 0 H ILE A 6 12.751 5.065 4.840 1.00 1.00 H new ATOM 0 HA ILE A 6 11.458 3.812 2.585 1.00 0.88 H new ATOM 0 HB ILE A 6 10.318 5.807 4.569 1.00 0.86 H new ATOM 0 HG12 ILE A 6 10.254 2.776 4.737 1.00 0.94 H new ATOM 0 HG13 ILE A 6 11.388 3.770 5.630 1.00 0.94 H new ATOM 0 HG21 ILE A 6 8.174 4.733 3.964 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.969 5.456 2.545 1.00 0.79 H new ATOM 0 HG23 ILE A 6 9.029 3.695 2.799 1.00 0.79 H new ATOM 0 HD11 ILE A 6 9.473 3.152 7.028 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.512 4.912 6.767 1.00 0.92 H new ATOM 0 HD13 ILE A 6 8.361 3.902 5.860 1.00 0.92 H new ATOM 98 N LYS A 7 12.118 5.745 1.048 1.00 0.86 N ATOM 99 CA LYS A 7 12.208 6.801 0.055 1.00 0.89 C ATOM 100 C LYS A 7 10.833 7.093 -0.530 1.00 0.79 C ATOM 101 O LYS A 7 10.121 6.177 -0.935 1.00 0.74 O ATOM 102 CB LYS A 7 13.164 6.391 -1.066 1.00 0.99 C ATOM 103 CG LYS A 7 14.629 6.366 -0.660 1.00 1.10 C ATOM 104 CD LYS A 7 15.273 7.744 -0.758 1.00 1.61 C ATOM 105 CE LYS A 7 15.245 8.293 -2.182 1.00 1.77 C ATOM 106 NZ LYS A 7 15.905 7.380 -3.157 1.00 2.23 N ATOM 0 H LYS A 7 12.516 4.855 0.749 1.00 0.86 H new ATOM 0 HA LYS A 7 12.588 7.700 0.540 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.881 5.401 -1.425 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.042 7.080 -1.902 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.716 5.997 0.362 1.00 1.10 H new ATOM 0 HG3 LYS A 7 15.170 5.667 -1.298 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.753 8.434 -0.094 1.00 1.61 H new ATOM 0 HD3 LYS A 7 16.305 7.686 -0.413 1.00 1.61 H new ATOM 0 HE2 LYS A 7 14.211 8.457 -2.485 1.00 1.77 H new ATOM 0 HE3 LYS A 7 15.741 9.263 -2.204 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.599 7.914 -3.718 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.389 6.616 -2.644 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 15.188 6.972 -3.791 1.00 2.23 H new ATOM 120 N GLN A 8 10.456 8.357 -0.566 1.00 0.81 N ATOM 121 CA GLN A 8 9.167 8.732 -1.118 1.00 0.78 C ATOM 122 C GLN A 8 9.342 9.399 -2.477 1.00 0.90 C ATOM 123 O GLN A 8 10.134 10.332 -2.636 1.00 1.15 O ATOM 124 CB GLN A 8 8.389 9.639 -0.157 1.00 0.93 C ATOM 125 CG GLN A 8 9.129 10.899 0.254 1.00 1.29 C ATOM 126 CD GLN A 8 8.449 11.618 1.402 1.00 1.76 C ATOM 127 OE1 GLN A 8 8.730 11.355 2.569 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.546 12.528 1.079 1.00 1.94 N ATOM 0 H GLN A 8 11.018 9.136 -0.223 1.00 0.81 H new ATOM 0 HA GLN A 8 8.582 7.822 -1.254 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.447 9.922 -0.627 1.00 0.93 H new ATOM 0 HB3 GLN A 8 8.140 9.070 0.739 1.00 0.93 H new ATOM 0 HG2 GLN A 8 10.148 10.641 0.543 1.00 1.29 H new ATOM 0 HG3 GLN A 8 9.200 11.571 -0.601 1.00 1.29 H new ATOM 0 HE21 GLN A 8 7.341 12.717 0.098 1.00 1.94 H new ATOM 0 HE22 GLN A 8 7.054 13.041 1.811 1.00 1.94 H new ATOM 137 N GLY A 9 8.611 8.895 -3.455 1.00 0.87 N ATOM 138 CA GLY A 9 8.681 9.435 -4.795 1.00 1.04 C ATOM 139 C GLY A 9 7.339 9.955 -5.257 1.00 0.71 C ATOM 140 O GLY A 9 6.523 10.370 -4.433 1.00 0.83 O ATOM 0 H GLY A 9 7.964 8.114 -3.344 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.414 10.241 -4.825 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.028 8.663 -5.481 1.00 1.04 H new ATOM 144 N GLU A 10 7.109 9.918 -6.567 1.00 1.04 N ATOM 145 CA GLU A 10 5.858 10.390 -7.161 1.00 0.82 C ATOM 146 C GLU A 10 4.670 9.588 -6.625 1.00 0.70 C ATOM 147 O GLU A 10 4.274 8.581 -7.217 1.00 0.72 O ATOM 148 CB GLU A 10 5.937 10.273 -8.689 1.00 0.79 C ATOM 149 CG GLU A 10 5.064 11.267 -9.443 1.00 1.82 C ATOM 150 CD GLU A 10 3.591 10.925 -9.385 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.156 10.028 -10.136 1.00 2.65 O ATOM 152 OE2 GLU A 10 2.857 11.551 -8.591 1.00 3.19 O ATOM 0 H GLU A 10 7.781 9.561 -7.246 1.00 1.04 H new ATOM 0 HA GLU A 10 5.711 11.435 -6.890 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.973 10.411 -8.998 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.649 9.262 -8.979 1.00 0.79 H new ATOM 0 HG2 GLU A 10 5.216 12.263 -9.028 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.382 11.304 -10.485 1.00 1.82 H new ATOM 159 N ASN A 11 4.123 10.048 -5.499 1.00 0.63 N ATOM 160 CA ASN A 11 2.994 9.398 -4.838 1.00 0.59 C ATOM 161 C ASN A 11 3.274 7.915 -4.638 1.00 0.47 C ATOM 162 O ASN A 11 2.413 7.060 -4.878 1.00 0.44 O ATOM 163 CB ASN A 11 1.697 9.603 -5.626 1.00 0.71 C ATOM 164 CG ASN A 11 1.112 10.986 -5.421 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.353 11.220 -4.481 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.457 11.910 -6.302 1.00 1.38 N ATOM 0 H ASN A 11 4.453 10.885 -5.019 1.00 0.63 H new ATOM 0 HA ASN A 11 2.865 9.861 -3.860 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.891 9.446 -6.687 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.967 8.853 -5.321 1.00 0.71 H new ATOM 0 HD21 ASN A 11 1.091 12.858 -6.216 1.00 1.38 H new ATOM 0 HD22 ASN A 11 2.089 11.674 -7.067 1.00 1.38 H new ATOM 173 N LYS A 12 4.489 7.614 -4.195 1.00 0.45 N ATOM 174 CA LYS A 12 4.891 6.238 -3.960 1.00 0.43 C ATOM 175 C LYS A 12 5.989 6.161 -2.908 1.00 0.46 C ATOM 176 O LYS A 12 6.692 7.139 -2.653 1.00 0.55 O ATOM 177 CB LYS A 12 5.383 5.591 -5.259 1.00 0.50 C ATOM 178 CG LYS A 12 6.761 6.056 -5.710 1.00 0.65 C ATOM 179 CD LYS A 12 7.327 5.147 -6.791 1.00 0.59 C ATOM 180 CE LYS A 12 8.761 5.515 -7.132 1.00 0.73 C ATOM 181 NZ LYS A 12 9.374 4.564 -8.097 1.00 0.94 N ATOM 0 H LYS A 12 5.210 8.306 -3.992 1.00 0.45 H new ATOM 0 HA LYS A 12 4.018 5.697 -3.597 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.403 4.509 -5.127 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.664 5.802 -6.051 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.697 7.077 -6.087 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.438 6.074 -4.856 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.286 4.111 -6.455 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.709 5.216 -7.687 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.786 6.521 -7.551 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.355 5.536 -6.219 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.409 4.587 -7.998 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.029 3.602 -7.903 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 9.113 4.836 -9.066 1.00 0.94 H new ATOM 195 N PHE A 13 6.122 4.993 -2.306 1.00 0.46 N ATOM 196 CA PHE A 13 7.147 4.747 -1.303 1.00 0.50 C ATOM 197 C PHE A 13 7.965 3.545 -1.739 1.00 0.50 C ATOM 198 O PHE A 13 7.400 2.533 -2.153 1.00 0.46 O ATOM 199 CB PHE A 13 6.529 4.480 0.073 1.00 0.51 C ATOM 200 CG PHE A 13 5.780 5.645 0.648 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.455 6.672 1.289 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.399 5.710 0.557 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.766 7.741 1.825 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.705 6.776 1.093 1.00 0.59 C ATOM 205 CZ PHE A 13 4.389 7.792 1.728 1.00 0.65 C ATOM 0 H PHE A 13 5.525 4.188 -2.497 1.00 0.46 H new ATOM 0 HA PHE A 13 7.778 5.631 -1.216 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.852 3.630 -0.004 1.00 0.51 H new ATOM 0 HB3 PHE A 13 7.321 4.195 0.765 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.531 6.635 1.370 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.859 4.917 0.061 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.303 8.537 2.320 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.628 6.815 1.015 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.848 8.627 2.149 1.00 0.65 H new ATOM 215 N TYR A 14 9.280 3.653 -1.672 1.00 0.60 N ATOM 216 CA TYR A 14 10.138 2.555 -2.080 1.00 0.64 C ATOM 217 C TYR A 14 11.418 2.511 -1.259 1.00 0.69 C ATOM 218 O TYR A 14 11.920 3.535 -0.804 1.00 0.75 O ATOM 219 CB TYR A 14 10.467 2.650 -3.578 1.00 0.67 C ATOM 220 CG TYR A 14 11.367 3.808 -3.954 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.889 5.112 -3.934 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.690 3.598 -4.319 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.704 6.175 -4.270 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.513 4.657 -4.655 1.00 1.04 C ATOM 225 CZ TYR A 14 13.024 5.925 -4.659 1.00 1.03 C ATOM 226 OH TYR A 14 13.829 7.001 -4.960 1.00 1.16 O ATOM 0 H TYR A 14 9.774 4.482 -1.342 1.00 0.60 H new ATOM 0 HA TYR A 14 9.593 1.629 -1.899 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.943 1.721 -3.892 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.535 2.735 -4.136 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.863 5.298 -3.651 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.082 2.592 -4.341 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.327 7.186 -4.233 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.546 4.476 -4.915 1.00 1.04 H new ATOM 0 HH TYR A 14 13.911 7.086 -5.933 1.00 1.16 H new ATOM 236 N ILE A 15 11.923 1.309 -1.061 1.00 0.71 N ATOM 237 CA ILE A 15 13.146 1.091 -0.312 1.00 0.78 C ATOM 238 C ILE A 15 14.112 0.276 -1.159 1.00 0.92 C ATOM 239 O ILE A 15 13.780 -0.828 -1.594 1.00 0.92 O ATOM 240 CB ILE A 15 12.878 0.343 1.014 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.819 1.078 1.838 1.00 0.67 C ATOM 242 CG2 ILE A 15 14.167 0.195 1.812 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.412 0.350 3.103 1.00 0.71 C ATOM 0 H ILE A 15 11.496 0.453 -1.416 1.00 0.71 H new ATOM 0 HA ILE A 15 13.573 2.064 -0.071 1.00 0.78 H new ATOM 0 HB ILE A 15 12.502 -0.653 0.779 1.00 0.73 H new ATOM 0 HG12 ILE A 15 12.200 2.064 2.104 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.935 1.234 1.220 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.960 -0.334 2.742 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.894 -0.369 1.228 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.571 1.182 2.038 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.659 0.934 3.632 1.00 0.71 H new ATOM 0 HD12 ILE A 15 11.000 -0.626 2.845 1.00 0.71 H new ATOM 0 HD13 ILE A 15 12.284 0.218 3.743 1.00 0.71 H new ATOM 255 N GLY A 16 15.288 0.824 -1.418 1.00 1.09 N ATOM 256 CA GLY A 16 16.262 0.116 -2.218 1.00 1.26 C ATOM 257 C GLY A 16 17.516 0.925 -2.442 1.00 1.42 C ATOM 258 O GLY A 16 17.594 2.086 -2.039 1.00 1.52 O ATOM 0 H GLY A 16 15.584 1.743 -1.090 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.520 -0.822 -1.726 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.821 -0.140 -3.181 1.00 1.26 H new ATOM 262 N ASP A 17 18.494 0.307 -3.086 1.00 1.55 N ATOM 263 CA ASP A 17 19.764 0.960 -3.375 1.00 1.74 C ATOM 264 C ASP A 17 19.586 2.031 -4.443 1.00 1.66 C ATOM 265 O ASP A 17 20.116 3.138 -4.337 1.00 1.78 O ATOM 266 CB ASP A 17 20.781 -0.080 -3.851 1.00 1.95 C ATOM 267 CG ASP A 17 22.160 0.502 -4.076 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.399 1.056 -5.166 1.00 2.14 O ATOM 269 OD2 ASP A 17 23.002 0.424 -3.161 1.00 2.62 O ATOM 0 H ASP A 17 18.432 -0.654 -3.421 1.00 1.55 H new ATOM 0 HA ASP A 17 20.127 1.435 -2.464 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.846 -0.880 -3.114 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.426 -0.529 -4.779 1.00 1.95 H new ATOM 274 N ASP A 18 18.815 1.687 -5.459 1.00 1.53 N ATOM 275 CA ASP A 18 18.556 2.580 -6.574 1.00 1.48 C ATOM 276 C ASP A 18 17.078 2.524 -6.941 1.00 1.37 C ATOM 277 O ASP A 18 16.367 1.627 -6.495 1.00 1.29 O ATOM 278 CB ASP A 18 19.435 2.171 -7.769 1.00 1.53 C ATOM 279 CG ASP A 18 19.154 2.967 -9.025 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.614 4.123 -9.117 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.469 2.437 -9.924 1.00 1.41 O ATOM 0 H ASP A 18 18.351 0.782 -5.534 1.00 1.53 H new ATOM 0 HA ASP A 18 18.802 3.605 -6.296 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.483 2.294 -7.498 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.281 1.112 -7.977 1.00 1.53 H new ATOM 286 N GLU A 19 16.619 3.487 -7.733 1.00 1.41 N ATOM 287 CA GLU A 19 15.229 3.549 -8.170 1.00 1.38 C ATOM 288 C GLU A 19 14.812 2.248 -8.857 1.00 1.34 C ATOM 289 O GLU A 19 13.719 1.731 -8.624 1.00 1.34 O ATOM 290 CB GLU A 19 15.048 4.726 -9.129 1.00 1.49 C ATOM 291 CG GLU A 19 13.600 5.097 -9.383 1.00 1.76 C ATOM 292 CD GLU A 19 12.982 5.841 -8.220 1.00 2.08 C ATOM 293 OE1 GLU A 19 13.660 6.705 -7.630 1.00 2.72 O ATOM 294 OE2 GLU A 19 11.811 5.563 -7.885 1.00 2.43 O ATOM 0 H GLU A 19 17.200 4.246 -8.090 1.00 1.41 H new ATOM 0 HA GLU A 19 14.595 3.688 -7.294 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.569 5.594 -8.725 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.522 4.483 -10.080 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.538 5.714 -10.279 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.025 4.192 -9.578 1.00 1.76 H new ATOM 301 N ASN A 20 15.700 1.713 -9.688 1.00 1.37 N ATOM 302 CA ASN A 20 15.430 0.472 -10.408 1.00 1.39 C ATOM 303 C ASN A 20 15.713 -0.731 -9.508 1.00 1.40 C ATOM 304 O ASN A 20 15.227 -1.838 -9.744 1.00 1.52 O ATOM 305 CB ASN A 20 16.292 0.391 -11.672 1.00 1.48 C ATOM 306 CG ASN A 20 16.000 -0.846 -12.506 1.00 2.08 C ATOM 307 OD1 ASN A 20 14.844 -1.159 -12.796 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.045 -1.564 -12.891 1.00 2.15 N ATOM 0 H ASN A 20 16.615 2.120 -9.880 1.00 1.37 H new ATOM 0 HA ASN A 20 14.379 0.460 -10.697 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.124 1.281 -12.279 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.345 0.393 -11.389 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.907 -2.408 -13.447 1.00 2.15 H new ATOM 0 HD22 ASN A 20 17.987 -1.273 -12.631 1.00 2.15 H new ATOM 315 N ASN A 21 16.488 -0.492 -8.461 1.00 1.36 N ATOM 316 CA ASN A 21 16.857 -1.537 -7.511 1.00 1.38 C ATOM 317 C ASN A 21 15.987 -1.442 -6.263 1.00 1.25 C ATOM 318 O ASN A 21 16.470 -1.576 -5.136 1.00 1.23 O ATOM 319 CB ASN A 21 18.335 -1.410 -7.124 1.00 1.54 C ATOM 320 CG ASN A 21 19.285 -1.840 -8.228 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.959 -1.775 -9.414 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.474 -2.276 -7.843 1.00 2.45 N ATOM 0 H ASN A 21 16.878 0.425 -8.244 1.00 1.36 H new ATOM 0 HA ASN A 21 16.699 -2.506 -7.984 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.545 -0.375 -6.856 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.524 -2.014 -6.236 1.00 1.54 H new ATOM 0 HD21 ASN A 21 21.158 -2.573 -8.539 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.706 -2.315 -6.851 1.00 2.45 H new ATOM 329 N ALA A 22 14.702 -1.187 -6.470 1.00 1.19 N ATOM 330 CA ALA A 22 13.756 -1.066 -5.371 1.00 1.09 C ATOM 331 C ALA A 22 13.380 -2.440 -4.828 1.00 1.06 C ATOM 332 O ALA A 22 12.705 -3.221 -5.501 1.00 1.14 O ATOM 333 CB ALA A 22 12.510 -0.310 -5.822 1.00 1.04 C ATOM 0 H ALA A 22 14.290 -1.060 -7.394 1.00 1.19 H new ATOM 0 HA ALA A 22 14.233 -0.502 -4.569 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.812 -0.228 -4.988 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.792 0.688 -6.159 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.034 -0.849 -6.642 1.00 1.04 H new ATOM 339 N LEU A 23 13.827 -2.730 -3.613 1.00 0.99 N ATOM 340 CA LEU A 23 13.539 -4.006 -2.972 1.00 0.99 C ATOM 341 C LEU A 23 12.081 -4.059 -2.540 1.00 0.87 C ATOM 342 O LEU A 23 11.490 -5.130 -2.434 1.00 0.95 O ATOM 343 CB LEU A 23 14.450 -4.209 -1.758 1.00 1.05 C ATOM 344 CG LEU A 23 15.948 -4.208 -2.063 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.753 -4.126 -0.778 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.335 -5.449 -2.851 1.00 1.37 C ATOM 0 H LEU A 23 14.393 -2.095 -3.050 1.00 0.99 H new ATOM 0 HA LEU A 23 13.726 -4.805 -3.690 1.00 0.99 H new ATOM 0 HB2 LEU A 23 14.242 -3.423 -1.032 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.192 -5.156 -1.284 1.00 1.05 H new ATOM 0 HG LEU A 23 16.172 -3.331 -2.669 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.817 -4.126 -1.015 1.00 1.39 H new ATOM 0 HD12 LEU A 23 16.500 -3.208 -0.248 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.521 -4.985 -0.148 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.405 -5.429 -3.058 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.094 -6.339 -2.270 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.784 -5.470 -3.791 1.00 1.37 H new ATOM 358 N ALA A 24 11.513 -2.891 -2.295 1.00 0.77 N ATOM 359 CA ALA A 24 10.124 -2.776 -1.883 1.00 0.66 C ATOM 360 C ALA A 24 9.543 -1.469 -2.394 1.00 0.60 C ATOM 361 O ALA A 24 10.158 -0.418 -2.236 1.00 0.67 O ATOM 362 CB ALA A 24 10.016 -2.859 -0.368 1.00 0.71 C ATOM 0 H ALA A 24 11.999 -1.998 -2.376 1.00 0.77 H new ATOM 0 HA ALA A 24 9.554 -3.601 -2.310 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.970 -2.772 -0.072 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.411 -3.816 -0.027 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.589 -2.049 0.083 1.00 0.71 H new ATOM 368 N GLU A 25 8.378 -1.538 -3.024 1.00 0.54 N ATOM 369 CA GLU A 25 7.732 -0.348 -3.560 1.00 0.52 C ATOM 370 C GLU A 25 6.210 -0.451 -3.457 1.00 0.43 C ATOM 371 O GLU A 25 5.634 -1.529 -3.619 1.00 0.45 O ATOM 372 CB GLU A 25 8.144 -0.129 -5.022 1.00 0.65 C ATOM 373 CG GLU A 25 7.573 1.144 -5.634 1.00 0.84 C ATOM 374 CD GLU A 25 7.852 1.256 -7.117 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.167 0.572 -7.904 1.00 1.02 O ATOM 376 OE2 GLU A 25 8.748 2.033 -7.508 1.00 1.33 O ATOM 0 H GLU A 25 7.862 -2.404 -3.176 1.00 0.54 H new ATOM 0 HA GLU A 25 8.058 0.505 -2.965 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.232 -0.095 -5.083 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.818 -0.984 -5.614 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.496 1.170 -5.468 1.00 0.84 H new ATOM 0 HG3 GLU A 25 7.995 2.009 -5.123 1.00 0.84 H new ATOM 383 N ILE A 26 5.577 0.676 -3.168 1.00 0.40 N ATOM 384 CA ILE A 26 4.129 0.761 -3.063 1.00 0.33 C ATOM 385 C ILE A 26 3.658 2.065 -3.697 1.00 0.33 C ATOM 386 O ILE A 26 4.268 3.113 -3.499 1.00 0.38 O ATOM 387 CB ILE A 26 3.649 0.677 -1.591 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.120 0.743 -1.514 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.274 1.784 -0.748 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.562 0.406 -0.146 1.00 0.34 C ATOM 0 H ILE A 26 6.056 1.561 -2.999 1.00 0.40 H new ATOM 0 HA ILE A 26 3.697 -0.089 -3.591 1.00 0.33 H new ATOM 0 HB ILE A 26 3.974 -0.282 -1.187 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.794 1.745 -1.792 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.698 0.056 -2.248 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.921 1.702 0.280 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.360 1.687 -0.767 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.989 2.755 -1.153 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.474 0.474 -0.170 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.856 -0.607 0.127 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.954 1.108 0.590 1.00 0.34 H new ATOM 402 N THR A 27 2.595 1.997 -4.483 1.00 0.33 N ATOM 403 CA THR A 27 2.072 3.178 -5.151 1.00 0.35 C ATOM 404 C THR A 27 0.616 3.427 -4.792 1.00 0.37 C ATOM 405 O THR A 27 -0.162 2.485 -4.615 1.00 0.41 O ATOM 406 CB THR A 27 2.179 3.043 -6.678 1.00 0.40 C ATOM 407 OG1 THR A 27 2.440 1.681 -7.016 1.00 0.60 O ATOM 408 CG2 THR A 27 3.278 3.926 -7.241 1.00 0.51 C ATOM 0 H THR A 27 2.079 1.138 -4.674 1.00 0.33 H new ATOM 0 HA THR A 27 2.676 4.019 -4.810 1.00 0.35 H new ATOM 0 HB THR A 27 1.233 3.365 -7.114 1.00 0.40 H new ATOM 0 HG1 THR A 27 3.027 1.645 -7.800 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.324 3.804 -8.323 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.066 4.968 -7.002 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.234 3.641 -6.803 1.00 0.51 H new ATOM 416 N TYR A 28 0.254 4.694 -4.704 1.00 0.39 N ATOM 417 CA TYR A 28 -1.105 5.089 -4.382 1.00 0.45 C ATOM 418 C TYR A 28 -1.493 6.293 -5.226 1.00 0.48 C ATOM 419 O TYR A 28 -0.627 6.959 -5.794 1.00 0.68 O ATOM 420 CB TYR A 28 -1.248 5.409 -2.886 1.00 0.48 C ATOM 421 CG TYR A 28 -0.369 6.545 -2.402 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.955 6.322 -2.046 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.864 7.840 -2.304 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.760 7.353 -1.603 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.065 8.876 -1.862 1.00 0.66 C ATOM 426 CZ TYR A 28 1.242 8.633 -1.515 1.00 0.65 C ATOM 427 OH TYR A 28 2.044 9.659 -1.068 1.00 0.76 O ATOM 0 H TYR A 28 0.892 5.476 -4.853 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.775 4.259 -4.606 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.289 5.657 -2.678 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.013 4.513 -2.311 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.362 5.324 -2.117 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.890 8.039 -2.578 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.786 7.162 -1.327 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.467 9.876 -1.789 1.00 0.66 H new ATOM 0 HH TYR A 28 1.534 10.496 -1.065 1.00 0.76 H new ATOM 437 N ARG A 29 -2.784 6.552 -5.338 1.00 0.42 N ATOM 438 CA ARG A 29 -3.264 7.684 -6.116 1.00 0.48 C ATOM 439 C ARG A 29 -4.591 8.176 -5.570 1.00 0.48 C ATOM 440 O ARG A 29 -5.347 7.410 -4.973 1.00 0.49 O ATOM 441 CB ARG A 29 -3.421 7.296 -7.586 1.00 0.56 C ATOM 442 CG ARG A 29 -2.986 8.381 -8.554 1.00 0.93 C ATOM 443 CD ARG A 29 -1.862 7.896 -9.455 1.00 1.22 C ATOM 444 NE ARG A 29 -0.657 7.551 -8.699 1.00 1.83 N ATOM 445 CZ ARG A 29 0.534 8.126 -8.880 1.00 2.81 C ATOM 446 NH1 ARG A 29 0.669 9.127 -9.742 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.583 7.717 -8.175 1.00 3.63 N ATOM 0 H ARG A 29 -3.519 5.996 -4.901 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.530 8.486 -6.040 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.839 6.395 -7.779 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.465 7.048 -7.778 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.835 8.691 -9.163 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.656 9.258 -7.997 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -2.199 7.024 -10.016 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.623 8.671 -10.183 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.732 6.824 -7.988 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -0.139 9.459 -10.269 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.581 9.564 -9.878 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.478 6.964 -7.495 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.493 8.156 -8.313 1.00 3.63 H new ATOM 461 N PHE A 30 -4.866 9.448 -5.768 1.00 0.56 N ATOM 462 CA PHE A 30 -6.112 10.037 -5.298 1.00 0.60 C ATOM 463 C PHE A 30 -7.188 9.855 -6.357 1.00 0.68 C ATOM 464 O PHE A 30 -7.095 10.419 -7.448 1.00 0.83 O ATOM 465 CB PHE A 30 -5.921 11.518 -4.972 1.00 0.66 C ATOM 466 CG PHE A 30 -5.154 11.758 -3.703 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.774 11.671 -3.691 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.814 12.065 -2.522 1.00 0.72 C ATOM 469 CE1 PHE A 30 -3.062 11.884 -2.527 1.00 0.77 C ATOM 470 CE2 PHE A 30 -5.107 12.280 -1.355 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.743 12.215 -1.355 1.00 0.82 C ATOM 0 H PHE A 30 -4.246 10.098 -6.251 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.422 9.532 -4.383 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.399 12.000 -5.799 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.899 11.993 -4.892 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.247 11.434 -4.603 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.892 12.137 -2.515 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.986 11.795 -2.524 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.635 12.500 -0.439 1.00 0.80 H new ATOM 0 HZ PHE A 30 -3.192 12.420 -0.449 1.00 0.82 H new ATOM 481 N VAL A 31 -8.197 9.055 -6.040 1.00 0.62 N ATOM 482 CA VAL A 31 -9.271 8.783 -6.986 1.00 0.70 C ATOM 483 C VAL A 31 -10.296 9.911 -7.025 1.00 0.73 C ATOM 484 O VAL A 31 -10.962 10.113 -8.041 1.00 0.83 O ATOM 485 CB VAL A 31 -9.985 7.451 -6.678 1.00 0.72 C ATOM 486 CG1 VAL A 31 -9.039 6.279 -6.894 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.534 7.440 -5.263 1.00 0.67 C ATOM 0 H VAL A 31 -8.295 8.585 -5.140 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.798 8.708 -7.965 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.826 7.351 -7.365 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.558 5.347 -6.672 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.702 6.269 -7.931 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -8.178 6.380 -6.234 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -11.032 6.489 -5.073 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.716 7.569 -4.554 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -11.249 8.254 -5.144 1.00 0.67 H new ATOM 497 N ASP A 32 -10.435 10.644 -5.930 1.00 0.72 N ATOM 498 CA ASP A 32 -11.391 11.742 -5.890 1.00 0.84 C ATOM 499 C ASP A 32 -10.855 12.922 -5.094 1.00 0.97 C ATOM 500 O ASP A 32 -10.435 13.920 -5.677 1.00 1.74 O ATOM 501 CB ASP A 32 -12.736 11.294 -5.316 1.00 0.84 C ATOM 502 CG ASP A 32 -13.823 12.336 -5.519 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.908 13.281 -4.705 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.602 12.219 -6.487 1.00 1.16 O ATOM 0 H ASP A 32 -9.907 10.502 -5.069 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.544 12.063 -6.920 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -13.038 10.360 -5.789 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.625 11.090 -4.251 1.00 0.84 H new ATOM 509 N ASN A 33 -10.860 12.815 -3.771 1.00 0.89 N ATOM 510 CA ASN A 33 -10.391 13.913 -2.934 1.00 0.95 C ATOM 511 C ASN A 33 -9.465 13.445 -1.822 1.00 0.84 C ATOM 512 O ASN A 33 -8.310 13.860 -1.756 1.00 1.07 O ATOM 513 CB ASN A 33 -11.581 14.655 -2.327 1.00 1.09 C ATOM 514 CG ASN A 33 -11.917 15.925 -3.078 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.398 16.996 -2.767 1.00 2.09 O ATOM 516 ND2 ASN A 33 -12.791 15.815 -4.066 1.00 2.72 N ATOM 0 H ASN A 33 -11.179 11.992 -3.260 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.820 14.581 -3.578 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.451 13.998 -2.323 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.361 14.899 -1.288 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.059 16.639 -4.604 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.197 14.906 -4.289 1.00 2.72 H new ATOM 523 N ASN A 34 -9.967 12.580 -0.954 1.00 0.73 N ATOM 524 CA ASN A 34 -9.179 12.090 0.174 1.00 0.86 C ATOM 525 C ASN A 34 -8.973 10.586 0.095 1.00 0.88 C ATOM 526 O ASN A 34 -8.309 9.995 0.944 1.00 1.22 O ATOM 527 CB ASN A 34 -9.870 12.443 1.495 1.00 1.01 C ATOM 528 CG ASN A 34 -9.393 13.760 2.082 1.00 1.35 C ATOM 529 OD1 ASN A 34 -8.943 14.653 1.364 1.00 1.84 O ATOM 530 ND2 ASN A 34 -9.488 13.892 3.398 1.00 1.83 N ATOM 0 H ASN A 34 -10.913 12.202 -1.006 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.203 12.573 0.131 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -10.947 12.493 1.333 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.692 11.645 2.216 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -9.183 14.755 3.847 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -9.866 13.130 3.961 1.00 1.83 H new ATOM 537 N GLU A 35 -9.553 9.970 -0.915 1.00 0.64 N ATOM 538 CA GLU A 35 -9.444 8.534 -1.093 1.00 0.62 C ATOM 539 C GLU A 35 -8.190 8.164 -1.881 1.00 0.57 C ATOM 540 O GLU A 35 -8.053 8.515 -3.057 1.00 0.59 O ATOM 541 CB GLU A 35 -10.690 7.996 -1.801 1.00 0.68 C ATOM 542 CG GLU A 35 -11.994 8.563 -1.263 1.00 1.01 C ATOM 543 CD GLU A 35 -12.500 9.741 -2.074 1.00 1.41 C ATOM 544 OE1 GLU A 35 -11.772 10.749 -2.178 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.624 9.661 -2.620 1.00 1.47 O ATOM 0 H GLU A 35 -10.107 10.443 -1.629 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.366 8.078 -0.106 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.618 8.222 -2.865 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.710 6.910 -1.706 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.751 7.779 -1.258 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.850 8.875 -0.228 1.00 1.01 H new ATOM 552 N ILE A 36 -7.276 7.467 -1.220 1.00 0.52 N ATOM 553 CA ILE A 36 -6.041 7.022 -1.843 1.00 0.48 C ATOM 554 C ILE A 36 -6.133 5.539 -2.172 1.00 0.46 C ATOM 555 O ILE A 36 -6.345 4.704 -1.292 1.00 0.53 O ATOM 556 CB ILE A 36 -4.806 7.279 -0.948 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.076 6.864 0.504 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.404 8.746 -1.017 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.845 6.912 1.386 1.00 0.51 C ATOM 0 H ILE A 36 -7.371 7.196 -0.241 1.00 0.52 H new ATOM 0 HA ILE A 36 -5.912 7.602 -2.757 1.00 0.48 H new ATOM 0 HB ILE A 36 -3.983 6.669 -1.321 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.840 7.518 0.924 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.482 5.852 0.515 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.534 8.915 -0.383 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.160 9.008 -2.046 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.231 9.366 -0.671 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.110 6.606 2.398 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.087 6.236 0.990 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.451 7.928 1.406 1.00 0.51 H new ATOM 571 N ASN A 37 -5.995 5.219 -3.444 1.00 0.44 N ATOM 572 CA ASN A 37 -6.083 3.839 -3.893 1.00 0.46 C ATOM 573 C ASN A 37 -4.710 3.257 -4.198 1.00 0.42 C ATOM 574 O ASN A 37 -3.979 3.772 -5.046 1.00 0.50 O ATOM 575 CB ASN A 37 -6.976 3.750 -5.135 1.00 0.54 C ATOM 576 CG ASN A 37 -7.118 2.335 -5.664 1.00 0.86 C ATOM 577 OD1 ASN A 37 -7.952 1.562 -5.189 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.324 1.994 -6.668 1.00 0.98 N ATOM 0 H ASN A 37 -5.821 5.895 -4.187 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.520 3.253 -3.085 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.964 4.143 -4.894 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.563 4.385 -5.919 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.390 1.062 -7.077 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.646 2.664 -7.033 1.00 0.98 H new ATOM 585 N ILE A 38 -4.365 2.194 -3.485 1.00 0.36 N ATOM 586 CA ILE A 38 -3.101 1.504 -3.688 1.00 0.33 C ATOM 587 C ILE A 38 -3.250 0.552 -4.866 1.00 0.41 C ATOM 588 O ILE A 38 -4.018 -0.413 -4.804 1.00 0.53 O ATOM 589 CB ILE A 38 -2.675 0.722 -2.429 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.575 1.673 -1.233 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.348 0.014 -2.665 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.562 0.971 0.107 1.00 0.69 C ATOM 0 H ILE A 38 -4.950 1.788 -2.754 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.326 2.243 -3.892 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.429 -0.035 -2.212 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.667 2.268 -1.329 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.415 2.366 -1.261 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.063 -0.533 -1.766 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.450 -0.683 -3.497 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.580 0.750 -2.901 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.489 1.711 0.904 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.481 0.398 0.226 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.706 0.298 0.157 1.00 0.69 H new ATOM 604 N ASP A 39 -2.530 0.828 -5.939 1.00 0.52 N ATOM 605 CA ASP A 39 -2.639 0.019 -7.146 1.00 0.73 C ATOM 606 C ASP A 39 -1.507 -0.989 -7.299 1.00 0.50 C ATOM 607 O ASP A 39 -1.753 -2.183 -7.469 1.00 0.64 O ATOM 608 CB ASP A 39 -2.686 0.917 -8.381 1.00 1.08 C ATOM 609 CG ASP A 39 -2.935 0.120 -9.644 1.00 1.73 C ATOM 610 OD1 ASP A 39 -4.082 -0.322 -9.862 1.00 2.47 O ATOM 611 OD2 ASP A 39 -1.979 -0.055 -10.432 1.00 2.16 O ATOM 0 H ASP A 39 -1.867 1.600 -6.002 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.565 -0.548 -7.051 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -3.473 1.662 -8.260 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -1.745 1.459 -8.473 1.00 1.08 H new ATOM 616 N HIS A 40 -0.274 -0.519 -7.248 1.00 0.37 N ATOM 617 CA HIS A 40 0.870 -1.400 -7.426 1.00 0.44 C ATOM 618 C HIS A 40 1.675 -1.560 -6.141 1.00 0.39 C ATOM 619 O HIS A 40 1.852 -0.615 -5.370 1.00 0.42 O ATOM 620 CB HIS A 40 1.754 -0.871 -8.571 1.00 0.72 C ATOM 621 CG HIS A 40 3.173 -1.363 -8.562 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.548 -2.604 -9.022 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.311 -0.761 -8.140 1.00 0.92 C ATOM 624 CE1 HIS A 40 4.854 -2.745 -8.883 1.00 2.12 C ATOM 625 NE2 HIS A 40 5.342 -1.641 -8.350 1.00 1.64 N ATOM 0 H HIS A 40 -0.038 0.460 -7.086 1.00 0.37 H new ATOM 0 HA HIS A 40 0.499 -2.391 -7.686 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.296 -1.149 -9.520 1.00 0.72 H new ATOM 0 HB3 HIS A 40 1.763 0.218 -8.528 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.392 0.229 -7.716 1.00 0.92 H new ATOM 0 HE1 HIS A 40 5.427 -3.618 -9.159 1.00 2.12 H new ATOM 0 HE2 HIS A 40 6.323 -1.470 -8.130 1.00 1.64 H new ATOM 634 N THR A 41 2.142 -2.779 -5.922 1.00 0.41 N ATOM 635 CA THR A 41 2.959 -3.122 -4.772 1.00 0.45 C ATOM 636 C THR A 41 4.001 -4.146 -5.207 1.00 0.54 C ATOM 637 O THR A 41 3.716 -4.993 -6.056 1.00 0.73 O ATOM 638 CB THR A 41 2.105 -3.711 -3.627 1.00 0.48 C ATOM 639 OG1 THR A 41 0.744 -3.279 -3.765 1.00 0.48 O ATOM 640 CG2 THR A 41 2.634 -3.273 -2.273 1.00 0.55 C ATOM 0 H THR A 41 1.962 -3.566 -6.546 1.00 0.41 H new ATOM 0 HA THR A 41 3.438 -2.217 -4.399 1.00 0.45 H new ATOM 0 HB THR A 41 2.158 -4.798 -3.688 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.527 -2.646 -3.049 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.015 -3.701 -1.485 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.661 -3.617 -2.155 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.606 -2.185 -2.206 1.00 0.55 H new ATOM 648 N GLY A 42 5.206 -4.060 -4.671 1.00 0.55 N ATOM 649 CA GLY A 42 6.224 -5.005 -5.064 1.00 0.66 C ATOM 650 C GLY A 42 7.395 -5.069 -4.115 1.00 0.64 C ATOM 651 O GLY A 42 8.142 -4.105 -3.967 1.00 0.70 O ATOM 0 H GLY A 42 5.494 -3.365 -3.982 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.776 -5.996 -5.141 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.587 -4.741 -6.057 1.00 0.66 H new ATOM 655 N VAL A 43 7.541 -6.209 -3.469 1.00 0.67 N ATOM 656 CA VAL A 43 8.636 -6.447 -2.548 1.00 0.71 C ATOM 657 C VAL A 43 9.390 -7.686 -3.012 1.00 0.74 C ATOM 658 O VAL A 43 8.781 -8.608 -3.545 1.00 0.82 O ATOM 659 CB VAL A 43 8.139 -6.664 -1.098 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.296 -6.591 -0.114 1.00 0.93 C ATOM 661 CG2 VAL A 43 7.059 -5.657 -0.727 1.00 0.80 C ATOM 0 H VAL A 43 6.903 -6.998 -3.568 1.00 0.67 H new ATOM 0 HA VAL A 43 9.282 -5.569 -2.545 1.00 0.71 H new ATOM 0 HB VAL A 43 7.702 -7.661 -1.044 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.923 -6.746 0.898 1.00 0.93 H new ATOM 0 HG12 VAL A 43 10.027 -7.363 -0.354 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.769 -5.611 -0.180 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.731 -5.836 0.297 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.460 -4.647 -0.808 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.212 -5.766 -1.404 1.00 0.80 H new ATOM 671 N SER A 44 10.700 -7.702 -2.844 1.00 0.82 N ATOM 672 CA SER A 44 11.491 -8.849 -3.260 1.00 0.90 C ATOM 673 C SER A 44 11.254 -10.039 -2.333 1.00 1.01 C ATOM 674 O SER A 44 11.594 -10.006 -1.145 1.00 1.32 O ATOM 675 CB SER A 44 12.974 -8.497 -3.290 1.00 1.27 C ATOM 676 OG SER A 44 13.179 -7.190 -3.801 1.00 1.83 O ATOM 0 H SER A 44 11.236 -6.941 -2.426 1.00 0.82 H new ATOM 0 HA SER A 44 11.176 -9.126 -4.266 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.388 -8.566 -2.284 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.510 -9.220 -3.906 1.00 1.27 H new ATOM 0 HG SER A 44 14.138 -6.988 -3.808 1.00 1.83 H new ATOM 759 N GLY A 51 8.688 -7.958 6.877 1.00 1.01 N ATOM 760 CA GLY A 51 8.420 -6.790 7.693 1.00 1.11 C ATOM 761 C GLY A 51 8.572 -5.507 6.907 1.00 0.88 C ATOM 762 O GLY A 51 7.880 -4.525 7.169 1.00 0.86 O ATOM 0 HA2 GLY A 51 7.409 -6.852 8.095 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.101 -6.777 8.544 1.00 1.11 H new ATOM 766 N VAL A 52 9.474 -5.526 5.930 1.00 0.80 N ATOM 767 CA VAL A 52 9.726 -4.362 5.087 1.00 0.68 C ATOM 768 C VAL A 52 8.447 -3.915 4.383 1.00 0.58 C ATOM 769 O VAL A 52 8.126 -2.725 4.358 1.00 0.56 O ATOM 770 CB VAL A 52 10.815 -4.655 4.030 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.170 -3.396 3.251 1.00 0.91 C ATOM 772 CG2 VAL A 52 12.057 -5.243 4.685 1.00 1.14 C ATOM 0 H VAL A 52 10.045 -6.340 5.702 1.00 0.80 H new ATOM 0 HA VAL A 52 10.078 -3.563 5.740 1.00 0.68 H new ATOM 0 HB VAL A 52 10.414 -5.388 3.330 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.938 -3.629 2.514 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.282 -3.020 2.743 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.544 -2.637 3.938 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.811 -5.442 3.923 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.454 -4.535 5.413 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.797 -6.174 5.189 1.00 1.14 H new ATOM 782 N GLY A 53 7.708 -4.880 3.840 1.00 0.59 N ATOM 783 CA GLY A 53 6.468 -4.572 3.151 1.00 0.58 C ATOM 784 C GLY A 53 5.427 -3.984 4.083 1.00 0.51 C ATOM 785 O GLY A 53 4.633 -3.129 3.686 1.00 0.50 O ATOM 0 H GLY A 53 7.947 -5.871 3.866 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.668 -3.869 2.343 1.00 0.58 H new ATOM 0 HA3 GLY A 53 6.073 -5.479 2.694 1.00 0.58 H new ATOM 789 N LYS A 54 5.442 -4.429 5.334 1.00 0.52 N ATOM 790 CA LYS A 54 4.498 -3.938 6.324 1.00 0.50 C ATOM 791 C LYS A 54 4.871 -2.527 6.760 1.00 0.48 C ATOM 792 O LYS A 54 4.000 -1.698 7.013 1.00 0.48 O ATOM 793 CB LYS A 54 4.456 -4.862 7.545 1.00 0.59 C ATOM 794 CG LYS A 54 4.098 -6.303 7.219 1.00 0.75 C ATOM 795 CD LYS A 54 3.390 -6.975 8.386 1.00 1.08 C ATOM 796 CE LYS A 54 1.889 -6.745 8.332 1.00 1.49 C ATOM 797 NZ LYS A 54 1.276 -6.736 9.690 1.00 2.02 N ATOM 0 H LYS A 54 6.097 -5.128 5.684 1.00 0.52 H new ATOM 0 HA LYS A 54 3.509 -3.921 5.865 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.429 -4.842 8.036 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.731 -4.471 8.259 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.457 -6.330 6.338 1.00 0.75 H new ATOM 0 HG3 LYS A 54 5.003 -6.858 6.972 1.00 0.75 H new ATOM 0 HD2 LYS A 54 3.596 -8.045 8.371 1.00 1.08 H new ATOM 0 HD3 LYS A 54 3.785 -6.587 9.325 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.685 -5.796 7.836 1.00 1.49 H new ATOM 0 HE3 LYS A 54 1.424 -7.526 7.730 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.254 -6.559 9.609 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 1.433 -7.657 10.148 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 1.712 -5.986 10.263 1.00 2.02 H new ATOM 811 N LYS A 55 6.171 -2.258 6.827 1.00 0.51 N ATOM 812 CA LYS A 55 6.670 -0.949 7.243 1.00 0.54 C ATOM 813 C LYS A 55 6.151 0.169 6.335 1.00 0.47 C ATOM 814 O LYS A 55 5.627 1.178 6.818 1.00 0.48 O ATOM 815 CB LYS A 55 8.204 -0.946 7.259 1.00 0.65 C ATOM 816 CG LYS A 55 8.809 0.432 7.488 1.00 1.28 C ATOM 817 CD LYS A 55 10.330 0.392 7.469 1.00 1.72 C ATOM 818 CE LYS A 55 10.900 0.161 8.858 1.00 2.30 C ATOM 819 NZ LYS A 55 12.382 0.217 8.865 1.00 2.57 N ATOM 0 H LYS A 55 6.902 -2.931 6.598 1.00 0.51 H new ATOM 0 HA LYS A 55 6.299 -0.759 8.250 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.552 -1.621 8.041 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.570 -1.341 6.311 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.454 1.117 6.718 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.468 0.824 8.446 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.665 -0.401 6.801 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.714 1.330 7.069 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.505 0.912 9.542 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.572 -0.810 9.228 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.731 0.054 9.831 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.760 -0.517 8.232 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.696 1.153 8.536 1.00 2.57 H new ATOM 833 N LEU A 56 6.293 -0.009 5.026 1.00 0.46 N ATOM 834 CA LEU A 56 5.844 1.004 4.072 1.00 0.45 C ATOM 835 C LEU A 56 4.327 1.160 4.092 1.00 0.38 C ATOM 836 O LEU A 56 3.824 2.282 4.101 1.00 0.37 O ATOM 837 CB LEU A 56 6.342 0.706 2.649 1.00 0.54 C ATOM 838 CG LEU A 56 6.345 -0.765 2.224 1.00 0.65 C ATOM 839 CD1 LEU A 56 5.205 -1.051 1.259 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.679 -1.120 1.591 1.00 0.85 C ATOM 0 H LEU A 56 6.711 -0.837 4.602 1.00 0.46 H new ATOM 0 HA LEU A 56 6.283 1.951 4.386 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.723 1.264 1.946 1.00 0.54 H new ATOM 0 HB3 LEU A 56 7.357 1.091 2.554 1.00 0.54 H new ATOM 0 HG LEU A 56 6.200 -1.382 3.110 1.00 0.65 H new ATOM 0 HD11 LEU A 56 5.227 -2.102 0.971 1.00 0.86 H new ATOM 0 HD12 LEU A 56 4.254 -0.827 1.743 1.00 0.86 H new ATOM 0 HD13 LEU A 56 5.315 -0.429 0.371 1.00 0.86 H new ATOM 0 HD21 LEU A 56 7.672 -2.168 1.292 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.844 -0.493 0.715 1.00 0.85 H new ATOM 0 HD23 LEU A 56 8.480 -0.954 2.312 1.00 0.85 H new ATOM 852 N LEU A 57 3.600 0.046 4.122 1.00 0.37 N ATOM 853 CA LEU A 57 2.140 0.099 4.150 1.00 0.36 C ATOM 854 C LEU A 57 1.662 0.764 5.436 1.00 0.34 C ATOM 855 O LEU A 57 0.718 1.558 5.430 1.00 0.37 O ATOM 856 CB LEU A 57 1.536 -1.302 4.033 1.00 0.43 C ATOM 857 CG LEU A 57 0.004 -1.347 4.042 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.559 -0.704 2.784 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.493 -2.778 4.185 1.00 0.71 C ATOM 0 H LEU A 57 3.992 -0.896 4.128 1.00 0.37 H new ATOM 0 HA LEU A 57 1.808 0.688 3.295 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.893 -1.760 3.110 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.908 -1.912 4.856 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.348 -0.778 4.903 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -1.648 -0.746 2.810 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.237 0.336 2.732 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.196 -1.240 1.907 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.583 -2.786 4.189 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.129 -3.375 3.349 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.124 -3.200 5.120 1.00 0.71 H new ATOM 871 N LYS A 58 2.332 0.440 6.534 1.00 0.36 N ATOM 872 CA LYS A 58 2.006 0.997 7.837 1.00 0.42 C ATOM 873 C LYS A 58 2.110 2.518 7.806 1.00 0.41 C ATOM 874 O LYS A 58 1.261 3.220 8.352 1.00 0.44 O ATOM 875 CB LYS A 58 2.955 0.426 8.890 1.00 0.50 C ATOM 876 CG LYS A 58 2.534 0.692 10.326 1.00 0.74 C ATOM 877 CD LYS A 58 3.462 0.006 11.320 1.00 1.10 C ATOM 878 CE LYS A 58 4.881 0.550 11.238 1.00 1.13 C ATOM 879 NZ LYS A 58 4.970 1.957 11.713 1.00 1.39 N ATOM 0 H LYS A 58 3.114 -0.214 6.545 1.00 0.36 H new ATOM 0 HA LYS A 58 0.981 0.727 8.092 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.037 -0.651 8.742 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.948 0.846 8.732 1.00 0.50 H new ATOM 0 HG2 LYS A 58 2.531 1.766 10.512 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.514 0.340 10.478 1.00 0.74 H new ATOM 0 HD2 LYS A 58 3.078 0.144 12.331 1.00 1.10 H new ATOM 0 HD3 LYS A 58 3.472 -1.067 11.127 1.00 1.10 H new ATOM 0 HE2 LYS A 58 5.544 -0.076 11.835 1.00 1.13 H new ATOM 0 HE3 LYS A 58 5.232 0.493 10.207 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.548 2.511 11.050 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 4.015 2.366 11.766 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 5.409 1.978 12.656 1.00 1.39 H new ATOM 893 N ALA A 59 3.151 3.015 7.142 1.00 0.43 N ATOM 894 CA ALA A 59 3.373 4.452 7.028 1.00 0.48 C ATOM 895 C ALA A 59 2.253 5.115 6.235 1.00 0.44 C ATOM 896 O ALA A 59 1.880 6.256 6.505 1.00 0.47 O ATOM 897 CB ALA A 59 4.722 4.727 6.382 1.00 0.56 C ATOM 0 H ALA A 59 3.854 2.442 6.675 1.00 0.43 H new ATOM 0 HA ALA A 59 3.373 4.879 8.031 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.875 5.803 6.303 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.513 4.292 6.993 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.746 4.283 5.387 1.00 0.56 H new ATOM 903 N VAL A 60 1.723 4.397 5.252 1.00 0.39 N ATOM 904 CA VAL A 60 0.630 4.909 4.438 1.00 0.38 C ATOM 905 C VAL A 60 -0.630 5.032 5.292 1.00 0.37 C ATOM 906 O VAL A 60 -1.340 6.036 5.234 1.00 0.40 O ATOM 907 CB VAL A 60 0.345 3.995 3.223 1.00 0.38 C ATOM 908 CG1 VAL A 60 -0.817 4.532 2.399 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.587 3.855 2.359 1.00 0.41 C ATOM 0 H VAL A 60 2.033 3.459 5.000 1.00 0.39 H new ATOM 0 HA VAL A 60 0.924 5.888 4.060 1.00 0.38 H new ATOM 0 HB VAL A 60 0.069 3.010 3.598 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -0.997 3.872 1.551 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.712 4.579 3.019 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.575 5.531 2.036 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.368 3.209 1.509 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.892 4.837 1.999 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.393 3.418 2.949 1.00 0.41 H new ATOM 919 N VAL A 61 -0.874 4.008 6.103 1.00 0.36 N ATOM 920 CA VAL A 61 -2.032 3.972 6.991 1.00 0.40 C ATOM 921 C VAL A 61 -1.943 5.085 8.034 1.00 0.44 C ATOM 922 O VAL A 61 -2.931 5.768 8.326 1.00 0.49 O ATOM 923 CB VAL A 61 -2.143 2.599 7.697 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.309 2.571 8.673 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.282 1.486 6.669 1.00 0.43 C ATOM 0 H VAL A 61 -0.278 3.183 6.164 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.924 4.125 6.384 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.228 2.439 8.267 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.359 1.593 9.152 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.167 3.340 9.432 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.238 2.760 8.135 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.359 0.526 7.180 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.179 1.652 6.072 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.408 1.481 6.018 1.00 0.43 H new ATOM 935 N GLU A 62 -0.749 5.268 8.573 1.00 0.47 N ATOM 936 CA GLU A 62 -0.496 6.291 9.577 1.00 0.54 C ATOM 937 C GLU A 62 -0.685 7.692 9.000 1.00 0.55 C ATOM 938 O GLU A 62 -1.360 8.535 9.599 1.00 0.61 O ATOM 939 CB GLU A 62 0.916 6.127 10.133 1.00 0.61 C ATOM 940 CG GLU A 62 1.046 4.945 11.078 1.00 1.05 C ATOM 941 CD GLU A 62 2.479 4.651 11.461 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.260 5.604 11.638 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.842 3.464 11.573 1.00 1.76 O ATOM 0 H GLU A 62 0.071 4.713 8.328 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.217 6.168 10.385 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.615 6.003 9.306 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.202 7.038 10.658 1.00 0.61 H new ATOM 0 HG2 GLU A 62 0.468 5.143 11.980 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.612 4.062 10.609 1.00 1.05 H new ATOM 950 N HIS A 63 -0.107 7.925 7.826 1.00 0.54 N ATOM 951 CA HIS A 63 -0.211 9.220 7.157 1.00 0.61 C ATOM 952 C HIS A 63 -1.654 9.489 6.737 1.00 0.61 C ATOM 953 O HIS A 63 -2.100 10.640 6.704 1.00 0.69 O ATOM 954 CB HIS A 63 0.716 9.263 5.938 1.00 0.67 C ATOM 955 CG HIS A 63 0.813 10.613 5.291 1.00 0.78 C ATOM 956 ND1 HIS A 63 1.122 11.766 5.983 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.652 10.988 4.000 1.00 0.97 C ATOM 958 CE1 HIS A 63 1.148 12.786 5.145 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.866 12.340 3.939 1.00 1.04 N ATOM 0 H HIS A 63 0.440 7.232 7.316 1.00 0.54 H new ATOM 0 HA HIS A 63 0.096 9.998 7.856 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.713 8.945 6.242 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.362 8.543 5.200 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.302 11.822 6.985 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.401 10.341 3.172 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.364 13.812 5.405 1.00 0.97 H new ATOM 968 N ALA A 64 -2.380 8.421 6.416 1.00 0.56 N ATOM 969 CA ALA A 64 -3.774 8.537 6.014 1.00 0.62 C ATOM 970 C ALA A 64 -4.600 9.151 7.133 1.00 0.70 C ATOM 971 O ALA A 64 -5.372 10.077 6.903 1.00 0.85 O ATOM 972 CB ALA A 64 -4.336 7.181 5.624 1.00 0.61 C ATOM 0 H ALA A 64 -2.023 7.466 6.427 1.00 0.56 H new ATOM 0 HA ALA A 64 -3.825 9.192 5.144 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.379 7.291 5.327 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.762 6.775 4.791 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.271 6.502 6.474 1.00 0.61 H new ATOM 978 N ARG A 65 -4.412 8.651 8.350 1.00 0.69 N ATOM 979 CA ARG A 65 -5.142 9.159 9.504 1.00 0.82 C ATOM 980 C ARG A 65 -4.797 10.624 9.761 1.00 0.85 C ATOM 981 O ARG A 65 -5.653 11.405 10.180 1.00 0.96 O ATOM 982 CB ARG A 65 -4.825 8.323 10.746 1.00 0.89 C ATOM 983 CG ARG A 65 -5.877 8.438 11.838 1.00 1.36 C ATOM 984 CD ARG A 65 -7.157 7.715 11.449 1.00 1.44 C ATOM 985 NE ARG A 65 -8.341 8.559 11.599 1.00 2.20 N ATOM 986 CZ ARG A 65 -9.588 8.088 11.646 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.819 6.779 11.599 1.00 1.87 N ATOM 988 NH2 ARG A 65 -10.609 8.928 11.745 1.00 3.12 N ATOM 0 H ARG A 65 -3.761 7.895 8.562 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.208 9.085 9.290 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.727 7.277 10.455 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.860 8.634 11.147 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.488 8.020 12.766 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.094 9.489 12.028 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.082 7.380 10.415 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -7.269 6.823 12.066 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.206 9.567 11.672 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.039 6.126 11.526 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -10.776 6.428 11.636 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -10.440 9.933 11.785 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -11.563 8.569 11.781 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.549 10.991 9.481 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.073 12.358 9.679 1.00 0.88 C ATOM 1004 C GLU A 66 -3.879 13.353 8.850 1.00 0.89 C ATOM 1005 O GLU A 66 -4.189 14.448 9.309 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.597 12.471 9.290 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.656 11.642 10.147 1.00 1.05 C ATOM 1008 CD GLU A 66 0.781 11.696 9.660 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.025 12.280 8.584 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.677 11.161 10.351 1.00 1.38 O ATOM 0 H GLU A 66 -2.843 10.354 9.113 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.198 12.595 10.736 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.484 12.167 8.249 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.297 13.517 9.351 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.700 11.998 11.176 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -0.995 10.606 10.153 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.227 12.962 7.632 1.00 0.82 N ATOM 1018 CA ASN A 67 -4.973 13.844 6.739 1.00 0.87 C ATOM 1019 C ASN A 67 -6.425 13.401 6.575 1.00 0.89 C ATOM 1020 O ASN A 67 -7.127 13.898 5.695 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.288 13.904 5.373 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.350 15.088 5.248 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.723 16.136 4.720 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.131 14.938 5.741 1.00 1.09 N ATOM 0 H ASN A 67 -4.008 12.046 7.239 1.00 0.82 H new ATOM 0 HA ASN A 67 -4.982 14.836 7.190 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -3.729 12.983 5.209 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.046 13.960 4.592 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.463 15.707 5.691 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -1.860 14.054 6.171 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.870 12.475 7.427 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.248 11.959 7.380 1.00 0.94 C ATOM 1033 C ASN A 68 -8.561 11.376 5.998 1.00 0.87 C ATOM 1034 O ASN A 68 -9.673 11.513 5.476 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.253 13.064 7.732 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.642 12.525 8.035 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.793 11.412 8.542 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.666 13.304 7.718 1.00 2.18 N ATOM 0 H ASN A 68 -6.296 12.063 8.163 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.337 11.163 8.119 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -8.888 13.619 8.596 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.315 13.769 6.903 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.620 12.988 7.892 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.500 14.219 7.300 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.572 10.715 5.420 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.707 10.114 4.101 1.00 0.73 C ATOM 1047 C LEU A 69 -8.403 8.763 4.185 1.00 0.70 C ATOM 1048 O LEU A 69 -8.487 8.158 5.256 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.329 9.938 3.450 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.470 11.201 3.382 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.081 10.873 2.861 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.127 12.257 2.507 1.00 0.77 C ATOM 0 H LEU A 69 -6.656 10.579 5.848 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.313 10.784 3.491 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.780 9.175 4.002 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.470 9.560 2.437 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.378 11.602 4.391 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.484 11.784 2.819 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.603 10.155 3.527 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.159 10.444 1.862 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.497 13.146 2.474 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.255 11.865 1.498 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.101 12.518 2.921 1.00 0.77 H new ATOM 1064 N LYS A 70 -8.911 8.308 3.053 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.586 7.022 2.969 1.00 0.70 C ATOM 1066 C LYS A 70 -8.714 6.069 2.172 1.00 0.62 C ATOM 1067 O LYS A 70 -8.252 6.413 1.088 1.00 0.60 O ATOM 1068 CB LYS A 70 -10.965 7.165 2.312 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.066 7.597 3.272 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.860 9.021 3.765 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.737 9.328 4.968 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.373 10.621 5.608 1.00 3.05 N ATOM 0 H LYS A 70 -8.868 8.816 2.169 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.743 6.630 3.974 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.897 7.892 1.502 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.243 6.212 1.862 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.033 7.521 2.774 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.092 6.918 4.124 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.813 9.167 4.030 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.086 9.721 2.961 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.781 9.359 4.657 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.645 8.524 5.698 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -12.583 10.576 6.626 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -11.358 10.802 5.471 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.924 11.390 5.175 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.480 4.881 2.699 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.621 3.925 2.026 1.00 0.57 C ATOM 1088 C ILE A 71 -8.406 2.857 1.280 1.00 0.56 C ATOM 1089 O ILE A 71 -9.299 2.202 1.831 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.645 3.255 3.016 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.723 4.310 3.626 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.834 2.163 2.326 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.688 3.742 4.572 1.00 0.86 C ATOM 0 H ILE A 71 -8.870 4.557 3.584 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.053 4.495 1.291 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.222 2.786 3.813 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.214 4.843 2.823 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.328 5.042 4.161 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.154 1.706 3.045 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.509 1.403 1.931 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.259 2.598 1.508 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.071 4.550 4.965 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.188 3.234 5.396 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.057 3.032 4.037 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.064 2.714 0.014 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.657 1.722 -0.862 1.00 0.54 C ATOM 1107 C ILE A 72 -7.530 1.064 -1.642 1.00 0.50 C ATOM 1108 O ILE A 72 -6.444 1.637 -1.750 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.689 2.335 -1.836 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.374 3.809 -2.104 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.095 2.178 -1.276 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.275 4.445 -3.139 1.00 0.99 C ATOM 0 H ILE A 72 -7.357 3.291 -0.441 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.199 0.995 -0.257 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.631 1.801 -2.785 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.459 4.365 -1.170 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.339 3.896 -2.434 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.814 2.613 -1.970 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.317 1.119 -1.141 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.163 2.689 -0.315 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.992 5.489 -3.276 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.173 3.914 -4.086 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.310 4.391 -2.803 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.755 -0.126 -2.172 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.700 -0.805 -2.906 1.00 0.43 C ATOM 1126 C ALA A 73 -7.240 -1.682 -4.019 1.00 0.43 C ATOM 1127 O ALA A 73 -8.227 -2.398 -3.846 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.851 -1.633 -1.952 1.00 0.50 C ATOM 0 H ALA A 73 -8.638 -0.633 -2.111 1.00 0.44 H new ATOM 0 HA ALA A 73 -6.085 -0.036 -3.373 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.063 -2.138 -2.511 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.403 -0.980 -1.203 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.478 -2.375 -1.458 1.00 0.50 H new ATOM 1134 N SER A 74 -6.592 -1.604 -5.168 1.00 0.48 N ATOM 1135 CA SER A 74 -6.957 -2.410 -6.314 1.00 0.53 C ATOM 1136 C SER A 74 -6.034 -3.616 -6.377 1.00 0.46 C ATOM 1137 O SER A 74 -6.365 -4.645 -6.968 1.00 0.55 O ATOM 1138 CB SER A 74 -6.850 -1.579 -7.589 1.00 0.69 C ATOM 1139 OG SER A 74 -5.794 -0.638 -7.493 1.00 0.94 O ATOM 0 H SER A 74 -5.801 -0.981 -5.330 1.00 0.48 H new ATOM 0 HA SER A 74 -7.988 -2.752 -6.219 1.00 0.53 H new ATOM 0 HB2 SER A 74 -6.681 -2.236 -8.442 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.791 -1.059 -7.769 1.00 0.69 H new ATOM 0 HG SER A 74 -5.304 -0.608 -8.341 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.876 -3.470 -5.741 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.879 -4.525 -5.682 1.00 0.48 C ATOM 1147 C CYS A 75 -4.359 -5.646 -4.769 1.00 0.45 C ATOM 1148 O CYS A 75 -4.791 -5.390 -3.643 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.555 -3.956 -5.165 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.340 -5.200 -4.670 1.00 1.31 S ATOM 0 H CYS A 75 -4.606 -2.616 -5.253 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.727 -4.929 -6.683 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.117 -3.329 -5.941 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.761 -3.310 -4.312 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.391 -4.632 -3.987 1.00 1.31 H new ATOM 1156 N SER A 76 -4.281 -6.876 -5.254 1.00 0.57 N ATOM 1157 CA SER A 76 -4.711 -8.037 -4.489 1.00 0.64 C ATOM 1158 C SER A 76 -3.910 -8.180 -3.196 1.00 0.61 C ATOM 1159 O SER A 76 -4.480 -8.380 -2.124 1.00 0.61 O ATOM 1160 CB SER A 76 -4.560 -9.295 -5.344 1.00 0.82 C ATOM 1161 OG SER A 76 -4.811 -9.004 -6.710 1.00 1.12 O ATOM 0 H SER A 76 -3.921 -7.097 -6.182 1.00 0.57 H new ATOM 0 HA SER A 76 -5.758 -7.902 -4.217 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.554 -9.699 -5.232 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.252 -10.062 -4.997 1.00 0.82 H new ATOM 0 HG SER A 76 -4.708 -9.820 -7.243 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.592 -8.043 -3.299 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.719 -8.169 -2.139 1.00 0.62 C ATOM 1169 C PHE A 77 -2.011 -7.075 -1.118 1.00 0.55 C ATOM 1170 O PHE A 77 -2.203 -7.354 0.068 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.246 -8.110 -2.561 1.00 0.68 C ATOM 1172 CG PHE A 77 0.707 -8.167 -1.399 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.913 -9.351 -0.707 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.406 -7.039 -1.013 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.805 -9.405 0.348 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.294 -7.086 0.042 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.436 -8.279 0.772 1.00 0.95 C ATOM 0 H PHE A 77 -2.106 -7.845 -4.174 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.914 -9.137 -1.678 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.035 -8.939 -3.236 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.072 -7.191 -3.120 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.371 -10.240 -0.995 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.255 -6.110 -1.543 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.001 -10.347 0.838 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.875 -6.214 0.305 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.043 -8.300 1.665 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.060 -5.835 -1.589 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.317 -4.696 -0.720 1.00 0.46 C ATOM 1189 C ALA A 78 -3.681 -4.816 -0.051 1.00 0.44 C ATOM 1190 O ALA A 78 -3.808 -4.617 1.157 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.219 -3.398 -1.508 1.00 0.47 C ATOM 0 H ALA A 78 -1.925 -5.593 -2.571 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.559 -4.686 0.063 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.414 -2.555 -0.845 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.219 -3.304 -1.931 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.954 -3.404 -2.313 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.692 -5.164 -0.839 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.042 -5.309 -0.317 1.00 0.47 C ATOM 1199 C LYS A 79 -6.099 -6.451 0.688 1.00 0.52 C ATOM 1200 O LYS A 79 -6.729 -6.329 1.732 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.039 -5.549 -1.452 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.462 -5.151 -1.100 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.412 -5.414 -2.256 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.807 -4.885 -1.965 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.355 -5.421 -0.692 1.00 1.27 N ATOM 0 H LYS A 79 -4.601 -5.350 -1.838 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.316 -4.383 0.188 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.720 -4.988 -2.331 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.022 -6.604 -1.724 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.791 -5.708 -0.223 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.491 -4.094 -0.836 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.025 -4.944 -3.160 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.462 -6.485 -2.450 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.778 -3.796 -1.917 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.473 -5.150 -2.786 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.377 -5.233 -0.647 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.190 -6.447 -0.648 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.882 -4.959 0.111 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.417 -7.551 0.374 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.379 -8.714 1.259 1.00 0.64 C ATOM 1221 C HIS A 80 -4.814 -8.330 2.621 1.00 0.60 C ATOM 1222 O HIS A 80 -5.298 -8.787 3.655 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.538 -9.838 0.634 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.244 -10.980 1.565 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.137 -11.999 1.818 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.147 -11.255 2.310 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -4.603 -12.846 2.676 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -3.398 -12.417 2.989 1.00 1.13 N ATOM 0 H HIS A 80 -4.883 -7.661 -0.488 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.398 -9.075 1.394 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.061 -10.223 -0.241 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.595 -9.418 0.283 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -2.242 -10.667 2.359 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -5.074 -13.740 3.057 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -2.755 -12.877 3.634 1.00 1.13 H new ATOM 1237 N MET A 81 -3.784 -7.496 2.616 1.00 0.58 N ATOM 1238 CA MET A 81 -3.167 -7.052 3.856 1.00 0.59 C ATOM 1239 C MET A 81 -4.156 -6.229 4.670 1.00 0.54 C ATOM 1240 O MET A 81 -4.256 -6.388 5.885 1.00 0.58 O ATOM 1241 CB MET A 81 -1.904 -6.237 3.576 1.00 0.64 C ATOM 1242 CG MET A 81 -0.739 -7.075 3.078 1.00 1.25 C ATOM 1243 SD MET A 81 0.824 -6.179 3.101 1.00 1.51 S ATOM 1244 CE MET A 81 1.051 -5.926 4.859 1.00 1.09 C ATOM 0 H MET A 81 -3.360 -7.115 1.770 1.00 0.58 H new ATOM 0 HA MET A 81 -2.883 -7.933 4.431 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.133 -5.471 2.835 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.605 -5.720 4.488 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.650 -7.969 3.696 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.946 -7.410 2.062 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.922 -5.292 5.026 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.166 -5.444 5.274 1.00 1.09 H new ATOM 0 HE3 MET A 81 1.204 -6.888 5.348 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.901 -5.372 3.983 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.895 -4.523 4.627 1.00 0.51 C ATOM 1256 C LEU A 82 -7.085 -5.353 5.112 1.00 0.56 C ATOM 1257 O LEU A 82 -7.645 -5.092 6.174 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.371 -3.445 3.651 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.294 -2.461 3.194 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.761 -1.684 1.975 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.935 -1.510 4.323 1.00 0.49 C ATOM 0 H LEU A 82 -4.835 -5.246 2.973 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.434 -4.046 5.492 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.791 -3.933 2.772 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.179 -2.883 4.120 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.404 -3.027 2.919 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.980 -0.989 1.665 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.973 -2.377 1.161 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.665 -1.127 2.223 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.167 -0.815 3.983 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.821 -0.952 4.624 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.559 -2.080 5.173 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.470 -6.349 4.318 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.588 -7.224 4.667 1.00 0.70 C ATOM 1275 C GLU A 83 -8.242 -8.101 5.866 1.00 0.68 C ATOM 1276 O GLU A 83 -9.079 -8.341 6.736 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.970 -8.110 3.479 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.625 -7.358 2.330 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.831 -8.230 1.106 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -9.421 -9.414 1.131 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.405 -7.738 0.111 1.00 1.45 O ATOM 0 H GLU A 83 -7.024 -6.571 3.428 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.435 -6.590 4.928 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.075 -8.609 3.109 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.650 -8.889 3.824 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.587 -6.966 2.659 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -9.007 -6.501 2.062 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.005 -8.583 5.896 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.532 -9.437 6.976 1.00 0.69 C ATOM 1290 C LYS A 84 -6.325 -8.626 8.254 1.00 0.68 C ATOM 1291 O LYS A 84 -6.552 -9.118 9.361 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.225 -10.117 6.567 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.708 -11.119 7.587 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.210 -10.978 7.808 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.875 -9.702 8.568 1.00 1.94 C ATOM 1296 NZ LYS A 84 -3.545 -9.641 9.894 1.00 2.33 N ATOM 0 H LYS A 84 -6.307 -8.394 5.177 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.286 -10.199 7.172 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.374 -10.626 5.615 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.465 -9.353 6.404 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -5.230 -10.977 8.533 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.932 -12.131 7.249 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.840 -11.841 8.363 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.698 -10.974 6.846 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -1.796 -9.637 8.706 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -3.173 -8.839 7.973 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -3.058 -8.948 10.497 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -4.537 -9.355 9.769 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.509 -10.578 10.345 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.870 -7.393 8.098 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.640 -6.516 9.234 1.00 0.96 C ATOM 1312 C GLU A 85 -6.912 -5.725 9.527 1.00 0.93 C ATOM 1313 O GLU A 85 -7.072 -4.594 9.069 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.468 -5.568 8.948 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.601 -5.272 10.163 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.540 -6.331 10.405 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.857 -7.362 11.030 1.00 1.60 O ATOM 1318 OE2 GLU A 85 -1.379 -6.132 9.988 1.00 1.49 O ATOM 0 H GLU A 85 -5.652 -6.976 7.193 1.00 0.84 H new ATOM 0 HA GLU A 85 -5.384 -7.116 10.107 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.845 -6.003 8.167 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.860 -4.629 8.557 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -3.117 -4.304 10.031 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.236 -5.193 11.045 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.817 -6.331 10.292 1.00 1.07 N ATOM 1326 CA ASP A 86 -9.097 -5.703 10.640 1.00 1.10 C ATOM 1327 C ASP A 86 -8.891 -4.381 11.372 1.00 1.02 C ATOM 1328 O ASP A 86 -9.744 -3.493 11.333 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.940 -6.654 11.498 1.00 1.36 C ATOM 1330 CG ASP A 86 -11.287 -6.067 11.873 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -12.067 -5.713 10.965 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -11.578 -5.959 13.083 1.00 2.66 O ATOM 0 H ASP A 86 -7.689 -7.263 10.687 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.627 -5.493 9.711 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -10.093 -7.587 10.955 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -9.390 -6.901 12.406 1.00 1.36 H new ATOM 1337 N SER A 87 -7.747 -4.249 12.020 1.00 1.05 N ATOM 1338 CA SER A 87 -7.406 -3.043 12.756 1.00 1.08 C ATOM 1339 C SER A 87 -7.089 -1.885 11.804 1.00 0.93 C ATOM 1340 O SER A 87 -6.960 -0.736 12.227 1.00 0.97 O ATOM 1341 CB SER A 87 -6.210 -3.336 13.655 1.00 1.27 C ATOM 1342 OG SER A 87 -5.876 -4.717 13.600 1.00 1.46 O ATOM 0 H SER A 87 -7.029 -4.973 12.051 1.00 1.05 H new ATOM 0 HA SER A 87 -8.260 -2.743 13.363 1.00 1.08 H new ATOM 0 HB2 SER A 87 -5.356 -2.736 13.342 1.00 1.27 H new ATOM 0 HB3 SER A 87 -6.440 -3.051 14.682 1.00 1.27 H new ATOM 0 HG SER A 87 -5.106 -4.891 14.180 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.970 -2.193 10.518 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.669 -1.185 9.508 1.00 0.88 C ATOM 1350 C TYR A 88 -7.942 -0.684 8.837 1.00 0.89 C ATOM 1351 O TYR A 88 -7.902 0.225 8.005 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.721 -1.754 8.452 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.258 -1.692 8.834 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.880 -1.484 10.154 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.258 -1.848 7.882 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.550 -1.432 10.515 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.925 -1.800 8.238 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.567 -1.565 9.515 1.00 0.93 C ATOM 1359 OH TYR A 88 -0.248 -1.556 9.911 1.00 1.00 O ATOM 0 H TYR A 88 -7.078 -3.138 10.148 1.00 0.91 H new ATOM 0 HA TYR A 88 -6.187 -0.346 10.009 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.991 -2.792 8.259 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.865 -1.209 7.519 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.641 -1.361 10.911 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.527 -2.009 6.849 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -2.267 -1.292 11.548 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -1.164 -1.952 7.487 1.00 0.97 H new ATOM 0 HH TYR A 88 0.330 -1.657 9.126 1.00 1.00 H new ATOM 1369 N GLN A 89 -9.079 -1.258 9.216 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.362 -0.871 8.640 1.00 1.18 C ATOM 1371 C GLN A 89 -10.836 0.463 9.209 1.00 1.16 C ATOM 1372 O GLN A 89 -11.951 0.910 8.936 1.00 1.26 O ATOM 1373 CB GLN A 89 -11.407 -1.963 8.875 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.990 -3.316 8.322 1.00 1.61 C ATOM 1375 CD GLN A 89 -12.147 -4.091 7.725 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -12.471 -3.935 6.552 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -12.758 -4.955 8.515 1.00 2.33 N ATOM 0 H GLN A 89 -9.138 -1.994 9.920 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.229 -0.749 7.565 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -11.592 -2.056 9.945 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -12.348 -1.663 8.413 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.225 -3.171 7.560 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -10.538 -3.905 9.120 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.461 -5.057 9.485 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -13.527 -5.520 8.155 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.976 1.097 10.001 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.287 2.393 10.584 1.00 1.17 C ATOM 1388 C ASP A 90 -10.159 3.474 9.512 1.00 1.09 C ATOM 1389 O ASP A 90 -10.813 4.515 9.578 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.373 2.697 11.783 1.00 1.18 C ATOM 1391 CG ASP A 90 -8.138 3.504 11.418 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -7.187 2.921 10.857 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -8.121 4.728 11.666 1.00 2.03 O ATOM 0 H ASP A 90 -9.058 0.731 10.252 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.312 2.377 10.955 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.944 3.242 12.535 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.061 1.757 12.239 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.320 3.201 8.516 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.115 4.121 7.401 1.00 0.79 C ATOM 1400 C VAL A 91 -9.396 3.428 6.072 1.00 0.73 C ATOM 1401 O VAL A 91 -9.671 4.080 5.064 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.684 4.696 7.373 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.536 5.819 8.383 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.658 3.608 7.635 1.00 0.78 C ATOM 0 H VAL A 91 -8.768 2.345 8.459 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.813 4.945 7.547 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.504 5.102 6.378 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.519 6.210 8.346 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.240 6.617 8.146 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.742 5.438 9.383 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.657 4.038 7.610 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.839 3.166 8.615 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.741 2.838 6.868 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.307 2.103 6.072 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.555 1.313 4.873 1.00 0.71 C ATOM 1416 C TYR A 92 -11.044 1.008 4.740 1.00 0.80 C ATOM 1417 O TYR A 92 -11.694 0.584 5.698 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.726 0.020 4.916 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.246 -1.099 4.038 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.291 -0.970 2.653 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.690 -2.290 4.600 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.765 -1.996 1.857 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -10.164 -3.317 3.809 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.199 -3.164 2.441 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.676 -4.185 1.655 1.00 1.14 O ATOM 0 H TYR A 92 -9.063 1.551 6.894 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.250 1.886 3.997 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.703 0.251 4.618 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.685 -0.335 5.946 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.950 -0.054 2.193 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.664 -2.414 5.673 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.795 -1.882 0.783 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.506 -4.236 4.261 1.00 1.02 H new ATOM 0 HH TYR A 92 -11.540 -4.489 2.003 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.575 1.224 3.546 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.988 0.987 3.278 1.00 0.84 C ATOM 1437 C LEU A 93 -13.271 -0.499 3.051 1.00 1.05 C ATOM 1438 O LEU A 93 -13.482 -0.943 1.920 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.449 1.802 2.064 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.216 3.312 2.165 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.717 4.010 0.912 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.901 3.880 3.399 1.00 1.42 C ATOM 0 H LEU A 93 -11.047 1.565 2.743 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.549 1.309 4.155 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.933 1.429 1.179 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.513 1.624 1.910 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.144 3.488 2.257 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.544 5.083 0.999 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.183 3.626 0.043 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.784 3.823 0.793 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.723 4.954 3.452 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.973 3.692 3.339 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.498 3.401 4.292 1.00 1.42 H new