USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 751 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 87 ASN : amide:sc= -1.76 K(o=-2.3,f=-0.62) USER MOD Set 1.2: A 118 TYR OH : rot -15:sc= -0.532 USER MOD Set 2.1: A 100 MET CE :methyl 143:sc= -0.219 (180deg=-0.496) USER MOD Set 2.2: A 103 THR OG1 : rot 130:sc= 0.0028 USER MOD Set 3.1: A 95 THR OG1 : rot 180:sc= -0.0428 USER MOD Set 3.2: A 104 LYS NZ :NH3+ 166:sc= -0.0322 (180deg=-0.236) USER MOD Set 4.1: A 76 TYR OH : rot 180:sc= 0.932 USER MOD Set 4.2: A 80 LYS NZ :NH3+ -157:sc= 1.05 (180deg=-0.379) USER MOD Set 5.1: A 72 SER OG : rot -141:sc= 1.18 USER MOD Set 5.2: A 94 TYR OH : rot -60:sc= 0.719 USER MOD Set 6.1: A 32 GLN : amide:sc= -0.197 K(o=0.37,f=-3) USER MOD Set 6.2: A 41 GLN : amide:sc= 0.568 K(o=0.37,f=-1.2) USER MOD Single : A 38 ASN : amide:sc=-0.00703 K(o=-0.007,f=-1.1) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.36 K(o=1.4,f=-3.2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -1.19 (180deg=-3.63!) USER MOD Single : A 56 GLN : amide:sc= -0.0413 K(o=-0.041,f=-0.73) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0.923 (180deg=0.732) USER MOD Single : A 61 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.9) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc=-0.00677 (180deg=-0.155) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.241 USER MOD Single : A 70 THR OG1 : rot -91:sc= -0.023 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 1.08 (180deg=0.934) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.494! X(o=-0.49!,f=-0.59) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.147 (180deg=-0.696) USER MOD Single : A 98 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.52) USER MOD Single : A 109 MET CE :methyl 154:sc= -0.535 (180deg=-1.44) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 1.98 (180deg=1.85) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc=-0.000588 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -7.233 -3.250 11.310 1.00 1.27 N ATOM 31 CA PHE A 28 -6.635 -2.464 10.237 1.00 1.21 C ATOM 32 C PHE A 28 -5.824 -3.353 9.308 1.00 0.94 C ATOM 33 O PHE A 28 -5.594 -4.526 9.601 1.00 0.94 O ATOM 34 CB PHE A 28 -5.764 -1.345 10.806 1.00 1.52 C ATOM 35 CG PHE A 28 -6.554 -0.299 11.537 1.00 1.96 C ATOM 36 CD1 PHE A 28 -7.186 0.718 10.843 1.00 2.75 C ATOM 37 CD2 PHE A 28 -6.666 -0.334 12.915 1.00 2.12 C ATOM 38 CE1 PHE A 28 -7.918 1.680 11.509 1.00 3.75 C ATOM 39 CE2 PHE A 28 -7.396 0.625 13.587 1.00 2.99 C ATOM 40 CZ PHE A 28 -8.023 1.633 12.883 1.00 3.85 C ATOM 0 HA PHE A 28 -7.440 -2.010 9.660 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -5.027 -1.775 11.484 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -5.212 -0.873 9.993 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -7.105 0.759 9.767 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -6.177 -1.120 13.471 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -8.407 2.468 10.955 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -7.477 0.587 14.663 1.00 2.99 H new ATOM 0 HZ PHE A 28 -8.595 2.384 13.408 1.00 3.85 H new ATOM 50 N GLY A 29 -5.386 -2.797 8.191 1.00 0.85 N ATOM 51 CA GLY A 29 -4.751 -3.601 7.175 1.00 0.73 C ATOM 52 C GLY A 29 -3.248 -3.442 7.135 1.00 0.63 C ATOM 53 O GLY A 29 -2.713 -2.369 7.417 1.00 0.69 O ATOM 0 H GLY A 29 -5.459 -1.804 7.971 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.993 -4.650 7.348 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.163 -3.335 6.202 1.00 0.73 H new ATOM 57 N ALA A 30 -2.573 -4.524 6.785 1.00 0.66 N ATOM 58 CA ALA A 30 -1.132 -4.521 6.626 1.00 0.59 C ATOM 59 C ALA A 30 -0.783 -5.057 5.248 1.00 0.56 C ATOM 60 O ALA A 30 -0.996 -6.235 4.961 1.00 0.65 O ATOM 61 CB ALA A 30 -0.466 -5.355 7.712 1.00 0.71 C ATOM 0 H ALA A 30 -3.010 -5.428 6.604 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.762 -3.500 6.721 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.615 -5.338 7.572 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.712 -4.942 8.690 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.824 -6.383 7.652 1.00 0.71 H new ATOM 67 N ILE A 31 -0.275 -4.184 4.395 1.00 0.49 N ATOM 68 CA ILE A 31 0.016 -4.533 3.014 1.00 0.53 C ATOM 69 C ILE A 31 1.523 -4.730 2.854 1.00 0.43 C ATOM 70 O ILE A 31 2.301 -4.306 3.709 1.00 0.49 O ATOM 71 CB ILE A 31 -0.398 -3.573 2.176 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.739 -2.964 2.619 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.515 -4.099 0.745 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.904 -3.932 2.604 1.00 0.96 C ATOM 0 H ILE A 31 -0.053 -3.218 4.638 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.514 -5.453 2.770 1.00 0.53 H new ATOM 0 HB ILE A 31 0.358 -2.788 2.202 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -1.627 -2.565 3.627 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.974 -2.122 1.968 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.853 -3.297 0.089 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.458 -4.457 0.408 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -1.233 -4.918 0.716 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.808 -3.418 2.930 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -3.048 -4.313 1.593 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.695 -4.763 3.278 1.00 0.96 H new ATOM 86 N GLN A 32 1.937 -5.422 1.807 1.00 0.39 N ATOM 87 CA GLN A 32 3.350 -5.575 1.515 1.00 0.34 C ATOM 88 C GLN A 32 3.613 -5.308 0.037 1.00 0.33 C ATOM 89 O GLN A 32 3.139 -6.048 -0.825 1.00 0.36 O ATOM 90 CB GLN A 32 3.808 -6.983 1.911 1.00 0.37 C ATOM 91 CG GLN A 32 5.295 -7.235 1.731 1.00 0.53 C ATOM 92 CD GLN A 32 5.709 -8.609 2.222 1.00 0.58 C ATOM 93 OE1 GLN A 32 4.929 -9.563 2.173 1.00 0.68 O ATOM 94 NE2 GLN A 32 6.935 -8.717 2.708 1.00 0.86 N ATOM 0 H GLN A 32 1.315 -5.886 1.146 1.00 0.39 H new ATOM 0 HA GLN A 32 3.921 -4.850 2.094 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.547 -7.156 2.955 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.254 -7.712 1.319 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.553 -7.135 0.677 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.858 -6.474 2.271 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.548 -7.902 2.730 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.267 -9.615 3.060 1.00 0.86 H new ATOM 103 N LEU A 33 4.342 -4.230 -0.247 1.00 0.38 N ATOM 104 CA LEU A 33 4.700 -3.884 -1.621 1.00 0.41 C ATOM 105 C LEU A 33 6.201 -4.040 -1.805 1.00 0.33 C ATOM 106 O LEU A 33 6.951 -3.887 -0.853 1.00 0.36 O ATOM 107 CB LEU A 33 4.325 -2.433 -1.964 1.00 0.56 C ATOM 108 CG LEU A 33 2.908 -1.986 -1.601 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.637 -0.590 -2.144 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.878 -2.970 -2.132 1.00 1.62 C ATOM 0 H LEU A 33 4.696 -3.581 0.456 1.00 0.38 H new ATOM 0 HA LEU A 33 4.148 -4.553 -2.281 1.00 0.41 H new ATOM 0 HB2 LEU A 33 5.030 -1.771 -1.461 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.463 -2.290 -3.036 1.00 0.56 H new ATOM 0 HG LEU A 33 2.826 -1.960 -0.514 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.625 -0.286 -1.877 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.352 0.112 -1.715 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.740 -0.595 -3.229 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.878 -2.631 -1.862 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.959 -3.032 -3.217 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.057 -3.954 -1.698 1.00 1.62 H new ATOM 122 N ASP A 34 6.644 -4.329 -3.010 1.00 0.33 N ATOM 123 CA ASP A 34 8.077 -4.408 -3.283 1.00 0.34 C ATOM 124 C ASP A 34 8.539 -3.168 -4.043 1.00 0.40 C ATOM 125 O ASP A 34 7.715 -2.371 -4.496 1.00 0.43 O ATOM 126 CB ASP A 34 8.434 -5.667 -4.067 1.00 0.38 C ATOM 127 CG ASP A 34 8.353 -5.451 -5.568 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.240 -5.279 -6.093 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.416 -5.413 -6.220 1.00 1.22 O ATOM 0 H ASP A 34 6.045 -4.513 -3.815 1.00 0.33 H new ATOM 0 HA ASP A 34 8.593 -4.456 -2.324 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.442 -5.985 -3.801 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.760 -6.474 -3.781 1.00 0.38 H new ATOM 134 N GLY A 35 9.856 -3.008 -4.154 1.00 0.47 N ATOM 135 CA GLY A 35 10.439 -1.823 -4.767 1.00 0.57 C ATOM 136 C GLY A 35 9.919 -1.520 -6.165 1.00 0.64 C ATOM 137 O GLY A 35 9.923 -0.361 -6.587 1.00 0.79 O ATOM 0 H GLY A 35 10.540 -3.689 -3.825 1.00 0.47 H new ATOM 0 HA2 GLY A 35 10.244 -0.963 -4.126 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.521 -1.947 -4.814 1.00 0.57 H new ATOM 141 N ASP A 36 9.484 -2.544 -6.894 1.00 0.58 N ATOM 142 CA ASP A 36 8.934 -2.333 -8.231 1.00 0.66 C ATOM 143 C ASP A 36 7.490 -1.870 -8.161 1.00 0.61 C ATOM 144 O ASP A 36 7.090 -0.950 -8.875 1.00 0.78 O ATOM 145 CB ASP A 36 9.031 -3.595 -9.088 1.00 0.69 C ATOM 146 CG ASP A 36 10.228 -3.569 -10.012 1.00 1.21 C ATOM 147 OD1 ASP A 36 10.217 -2.791 -10.988 1.00 1.95 O ATOM 148 OD2 ASP A 36 11.186 -4.335 -9.770 1.00 1.56 O ATOM 0 H ASP A 36 9.501 -3.517 -6.587 1.00 0.58 H new ATOM 0 HA ASP A 36 9.534 -1.553 -8.701 1.00 0.66 H new ATOM 0 HB2 ASP A 36 9.094 -4.469 -8.439 1.00 0.69 H new ATOM 0 HB3 ASP A 36 8.121 -3.702 -9.678 1.00 0.69 H new ATOM 153 N GLY A 37 6.707 -2.504 -7.304 1.00 0.51 N ATOM 154 CA GLY A 37 5.323 -2.113 -7.151 1.00 0.53 C ATOM 155 C GLY A 37 4.373 -3.289 -7.177 1.00 0.47 C ATOM 156 O GLY A 37 3.180 -3.123 -7.441 1.00 0.53 O ATOM 0 H GLY A 37 7.004 -3.280 -6.713 1.00 0.51 H new ATOM 0 HA2 GLY A 37 5.204 -1.577 -6.209 1.00 0.53 H new ATOM 0 HA3 GLY A 37 5.056 -1.419 -7.948 1.00 0.53 H new ATOM 160 N ASN A 38 4.891 -4.478 -6.906 1.00 0.40 N ATOM 161 CA ASN A 38 4.058 -5.663 -6.812 1.00 0.39 C ATOM 162 C ASN A 38 3.478 -5.762 -5.421 1.00 0.34 C ATOM 163 O ASN A 38 4.136 -5.419 -4.435 1.00 0.40 O ATOM 164 CB ASN A 38 4.844 -6.945 -7.107 1.00 0.44 C ATOM 165 CG ASN A 38 5.171 -7.132 -8.574 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.447 -6.665 -9.457 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.264 -7.828 -8.846 1.00 1.24 N ATOM 0 H ASN A 38 5.885 -4.646 -6.748 1.00 0.40 H new ATOM 0 HA ASN A 38 3.269 -5.567 -7.557 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.772 -6.932 -6.535 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.268 -7.803 -6.760 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.534 -7.995 -9.815 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.836 -8.197 -8.086 1.00 1.24 H new ATOM 174 N ILE A 39 2.245 -6.208 -5.343 1.00 0.32 N ATOM 175 CA ILE A 39 1.624 -6.464 -4.068 1.00 0.32 C ATOM 176 C ILE A 39 1.879 -7.912 -3.675 1.00 0.36 C ATOM 177 O ILE A 39 2.122 -8.762 -4.540 1.00 0.41 O ATOM 178 CB ILE A 39 0.315 -6.250 -4.097 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.035 -5.030 -4.952 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.221 -6.062 -2.680 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.523 -4.857 -5.169 1.00 0.89 C ATOM 0 H ILE A 39 1.653 -6.401 -6.151 1.00 0.32 H new ATOM 0 HA ILE A 39 2.059 -5.778 -3.341 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.154 -7.125 -4.548 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.362 -4.134 -4.474 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.458 -5.120 -5.920 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.296 -5.887 -2.718 1.00 0.43 H new ATOM 0 HG22 ILE A 39 -0.020 -6.958 -2.093 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.270 -5.206 -2.216 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.701 -3.974 -5.783 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.922 -5.737 -5.674 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -2.019 -4.736 -4.206 1.00 0.89 H new ATOM 193 N LEU A 40 1.919 -8.178 -2.385 1.00 0.40 N ATOM 194 CA LEU A 40 2.053 -9.522 -1.900 1.00 0.49 C ATOM 195 C LEU A 40 0.849 -9.924 -1.074 1.00 0.56 C ATOM 196 O LEU A 40 -0.115 -10.485 -1.588 1.00 0.73 O ATOM 197 CB LEU A 40 3.316 -9.652 -1.066 1.00 0.55 C ATOM 198 CG LEU A 40 4.610 -9.801 -1.868 1.00 0.59 C ATOM 199 CD1 LEU A 40 4.982 -8.491 -2.547 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.742 -10.291 -0.979 1.00 1.45 C ATOM 0 H LEU A 40 1.859 -7.469 -1.654 1.00 0.40 H new ATOM 0 HA LEU A 40 2.118 -10.188 -2.760 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.402 -8.774 -0.426 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.212 -10.516 -0.409 1.00 0.55 H new ATOM 0 HG LEU A 40 4.442 -10.547 -2.645 1.00 0.59 H new ATOM 0 HD11 LEU A 40 5.905 -8.623 -3.111 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.182 -8.193 -3.225 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.125 -7.718 -1.792 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.652 -10.390 -1.570 1.00 1.45 H new ATOM 0 HD22 LEU A 40 5.908 -9.575 -0.174 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.478 -11.260 -0.555 1.00 1.45 H new ATOM 212 N GLN A 41 0.898 -9.603 0.207 1.00 0.59 N ATOM 213 CA GLN A 41 -0.131 -10.033 1.122 1.00 0.73 C ATOM 214 C GLN A 41 -0.835 -8.854 1.767 1.00 0.61 C ATOM 215 O GLN A 41 -0.386 -7.706 1.685 1.00 0.60 O ATOM 216 CB GLN A 41 0.453 -10.956 2.191 1.00 0.99 C ATOM 217 CG GLN A 41 1.597 -10.341 2.981 1.00 0.88 C ATOM 218 CD GLN A 41 2.234 -11.330 3.934 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.569 -12.229 4.456 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.532 -11.192 4.144 1.00 1.30 N ATOM 0 H GLN A 41 1.640 -9.047 0.631 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.873 -10.587 0.546 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.340 -11.242 2.882 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.805 -11.871 1.714 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.353 -9.967 2.290 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.227 -9.484 3.544 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.044 -10.434 3.692 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.021 -11.843 4.758 1.00 1.30 H new ATOM 229 N TYR A 42 -1.932 -9.176 2.417 1.00 0.68 N ATOM 230 CA TYR A 42 -2.825 -8.206 3.015 1.00 0.69 C ATOM 231 C TYR A 42 -3.168 -8.643 4.431 1.00 0.78 C ATOM 232 O TYR A 42 -2.530 -9.542 4.980 1.00 1.25 O ATOM 233 CB TYR A 42 -4.107 -8.113 2.176 1.00 0.78 C ATOM 234 CG TYR A 42 -4.103 -7.027 1.124 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.157 -6.125 1.043 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.060 -6.901 0.212 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.177 -5.132 0.087 1.00 0.80 C ATOM 238 CE2 TYR A 42 -3.074 -5.903 -0.746 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.135 -5.023 -0.805 1.00 0.63 C ATOM 240 OH TYR A 42 -4.156 -4.037 -1.765 1.00 0.71 O ATOM 0 H TYR A 42 -2.235 -10.141 2.548 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.342 -7.230 3.046 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.273 -9.072 1.686 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.951 -7.947 2.846 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.976 -6.203 1.742 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.230 -7.590 0.252 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.007 -4.443 0.038 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.256 -5.813 -1.446 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.346 -4.097 -2.313 1.00 0.71 H new ATOM 250 N ASN A 43 -4.163 -8.002 5.020 1.00 0.89 N ATOM 251 CA ASN A 43 -4.704 -8.446 6.293 1.00 0.95 C ATOM 252 C ASN A 43 -6.213 -8.579 6.163 1.00 1.08 C ATOM 253 O ASN A 43 -6.812 -7.987 5.262 1.00 1.63 O ATOM 254 CB ASN A 43 -4.341 -7.468 7.418 1.00 0.96 C ATOM 255 CG ASN A 43 -4.697 -8.003 8.796 1.00 1.38 C ATOM 256 OD1 ASN A 43 -4.724 -9.215 9.020 1.00 2.13 O ATOM 257 ND2 ASN A 43 -4.982 -7.110 9.726 1.00 1.66 N ATOM 0 H ASN A 43 -4.613 -7.171 4.636 1.00 0.89 H new ATOM 0 HA ASN A 43 -4.271 -9.412 6.551 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.272 -7.256 7.380 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.859 -6.523 7.254 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -5.235 -7.415 10.666 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -4.949 -6.115 9.505 1.00 1.66 H new ATOM 264 N ALA A 44 -6.828 -9.330 7.066 1.00 1.12 N ATOM 265 CA ALA A 44 -8.259 -9.623 6.990 1.00 1.23 C ATOM 266 C ALA A 44 -9.126 -8.402 7.316 1.00 1.22 C ATOM 267 O ALA A 44 -10.297 -8.534 7.650 1.00 1.39 O ATOM 268 CB ALA A 44 -8.599 -10.774 7.920 1.00 1.48 C ATOM 0 H ALA A 44 -6.357 -9.752 7.867 1.00 1.12 H new ATOM 0 HA ALA A 44 -8.481 -9.903 5.960 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -9.666 -10.988 7.859 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -8.034 -11.659 7.626 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -8.341 -10.503 8.944 1.00 1.48 H new ATOM 274 N ALA A 45 -8.551 -7.218 7.232 1.00 1.21 N ATOM 275 CA ALA A 45 -9.316 -5.995 7.391 1.00 1.34 C ATOM 276 C ALA A 45 -9.728 -5.455 6.032 1.00 1.26 C ATOM 277 O ALA A 45 -10.875 -5.058 5.827 1.00 1.38 O ATOM 278 CB ALA A 45 -8.515 -4.959 8.156 1.00 1.52 C ATOM 0 H ALA A 45 -7.557 -7.076 7.055 1.00 1.21 H new ATOM 0 HA ALA A 45 -10.215 -6.220 7.964 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -9.106 -4.050 8.265 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -8.264 -5.349 9.143 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -7.598 -4.733 7.611 1.00 1.52 H new ATOM 284 N GLU A 46 -8.795 -5.485 5.085 1.00 1.18 N ATOM 285 CA GLU A 46 -9.035 -4.916 3.768 1.00 1.23 C ATOM 286 C GLU A 46 -9.896 -5.853 2.929 1.00 1.20 C ATOM 287 O GLU A 46 -10.474 -5.448 1.924 1.00 1.42 O ATOM 288 CB GLU A 46 -7.712 -4.626 3.054 1.00 1.27 C ATOM 289 CG GLU A 46 -6.745 -3.780 3.871 1.00 1.10 C ATOM 290 CD GLU A 46 -7.380 -2.516 4.415 1.00 1.31 C ATOM 291 OE1 GLU A 46 -7.728 -2.482 5.617 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.582 -1.353 3.561 1.00 1.31 O ATOM 0 H GLU A 46 -7.870 -5.896 5.207 1.00 1.18 H new ATOM 0 HA GLU A 46 -9.570 -3.975 3.896 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.231 -5.571 2.803 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.922 -4.116 2.114 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.362 -4.374 4.701 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.890 -3.513 3.250 1.00 1.10 H new ATOM 300 N GLY A 47 -9.981 -7.108 3.342 1.00 1.08 N ATOM 301 CA GLY A 47 -10.848 -8.047 2.662 1.00 1.18 C ATOM 302 C GLY A 47 -12.279 -7.933 3.140 1.00 1.25 C ATOM 303 O GLY A 47 -13.217 -8.247 2.406 1.00 1.42 O ATOM 0 H GLY A 47 -9.466 -7.493 4.134 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.808 -7.868 1.588 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.488 -9.062 2.829 1.00 1.18 H new ATOM 307 N ASP A 48 -12.441 -7.469 4.371 1.00 1.26 N ATOM 308 CA ASP A 48 -13.762 -7.267 4.951 1.00 1.49 C ATOM 309 C ASP A 48 -14.352 -5.942 4.491 1.00 1.53 C ATOM 310 O ASP A 48 -15.520 -5.871 4.108 1.00 1.74 O ATOM 311 CB ASP A 48 -13.697 -7.299 6.481 1.00 1.72 C ATOM 312 CG ASP A 48 -13.900 -8.691 7.047 1.00 2.01 C ATOM 313 OD1 ASP A 48 -15.045 -9.014 7.430 1.00 2.28 O ATOM 314 OD2 ASP A 48 -12.925 -9.467 7.115 1.00 2.35 O ATOM 0 H ASP A 48 -11.669 -7.224 4.991 1.00 1.26 H new ATOM 0 HA ASP A 48 -14.404 -8.080 4.610 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.730 -6.916 6.807 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -14.458 -6.632 6.887 1.00 1.72 H new ATOM 319 N ILE A 49 -13.538 -4.895 4.524 1.00 1.50 N ATOM 320 CA ILE A 49 -13.989 -3.563 4.149 1.00 1.74 C ATOM 321 C ILE A 49 -13.939 -3.368 2.630 1.00 1.73 C ATOM 322 O ILE A 49 -14.971 -3.161 1.991 1.00 2.08 O ATOM 323 CB ILE A 49 -13.258 -2.632 4.746 1.00 1.98 C ATOM 324 CG1 ILE A 49 -13.258 -2.839 6.254 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.756 -1.235 4.389 1.00 2.43 C ATOM 326 CD1 ILE A 49 -12.485 -1.787 7.021 1.00 2.59 C ATOM 0 H ILE A 49 -12.559 -4.944 4.808 1.00 1.50 H new ATOM 0 HA ILE A 49 -15.024 -3.464 4.477 1.00 1.74 H new ATOM 0 HB ILE A 49 -12.232 -2.723 4.388 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -14.289 -2.848 6.609 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.836 -3.819 6.476 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -13.140 -0.490 4.891 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -13.693 -1.091 3.310 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -14.792 -1.125 4.710 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -12.533 -2.006 8.088 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -11.444 -1.791 6.696 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -12.920 -0.806 6.832 1.00 2.59 H new ATOM 338 N THR A 50 -12.744 -3.440 2.059 1.00 1.71 N ATOM 339 CA THR A 50 -12.563 -3.217 0.631 1.00 1.95 C ATOM 340 C THR A 50 -13.031 -4.422 -0.185 1.00 1.90 C ATOM 341 O THR A 50 -13.865 -4.296 -1.084 1.00 2.37 O ATOM 342 CB THR A 50 -11.294 -2.978 0.363 1.00 2.44 C ATOM 343 OG1 THR A 50 -10.757 -2.074 1.341 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.123 -2.388 -1.028 1.00 2.45 C ATOM 0 H THR A 50 -11.884 -3.652 2.564 1.00 1.71 H new ATOM 0 HA THR A 50 -13.167 -2.353 0.354 1.00 1.95 H new ATOM 0 HB THR A 50 -10.755 -3.925 0.398 1.00 2.44 H new ATOM 0 HG1 THR A 50 -9.814 -1.899 1.141 1.00 3.41 H new ATOM 0 HG21 THR A 50 -10.066 -2.203 -1.217 1.00 2.45 H new ATOM 0 HG22 THR A 50 -11.507 -3.088 -1.770 1.00 2.45 H new ATOM 0 HG23 THR A 50 -11.673 -1.450 -1.095 1.00 2.45 H new ATOM 352 N GLY A 51 -12.512 -5.590 0.160 1.00 1.87 N ATOM 353 CA GLY A 51 -12.810 -6.788 -0.592 1.00 2.32 C ATOM 354 C GLY A 51 -11.574 -7.324 -1.281 1.00 1.77 C ATOM 355 O GLY A 51 -11.641 -7.821 -2.405 1.00 2.08 O ATOM 0 H GLY A 51 -11.886 -5.729 0.953 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -13.216 -7.548 0.076 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.579 -6.573 -1.334 1.00 2.32 H new ATOM 359 N ARG A 52 -10.438 -7.205 -0.607 1.00 1.46 N ATOM 360 CA ARG A 52 -9.170 -7.626 -1.169 1.00 1.09 C ATOM 361 C ARG A 52 -8.496 -8.648 -0.261 1.00 1.03 C ATOM 362 O ARG A 52 -8.052 -8.313 0.837 1.00 1.29 O ATOM 363 CB ARG A 52 -8.257 -6.412 -1.341 1.00 1.22 C ATOM 364 CG ARG A 52 -7.068 -6.666 -2.248 1.00 1.55 C ATOM 365 CD ARG A 52 -7.503 -6.864 -3.689 1.00 1.67 C ATOM 366 NE ARG A 52 -8.217 -5.702 -4.221 1.00 1.96 N ATOM 367 CZ ARG A 52 -7.642 -4.546 -4.556 1.00 2.47 C ATOM 368 NH1 ARG A 52 -6.346 -4.341 -4.332 1.00 2.72 N ATOM 369 NH2 ARG A 52 -8.376 -3.587 -5.103 1.00 3.14 N ATOM 0 H ARG A 52 -10.373 -6.818 0.334 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.353 -8.087 -2.139 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.840 -5.584 -1.745 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.895 -6.099 -0.362 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -6.376 -5.826 -2.187 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -6.528 -7.549 -1.905 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -6.627 -7.062 -4.306 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -8.145 -7.743 -3.755 1.00 1.67 H new ATOM 0 HE ARG A 52 -9.226 -5.782 -4.344 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -5.781 -5.072 -3.900 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -5.918 -3.453 -4.593 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -9.372 -3.736 -5.264 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -7.945 -2.700 -5.362 1.00 3.14 H new ATOM 383 N ASP A 53 -8.435 -9.893 -0.713 1.00 0.94 N ATOM 384 CA ASP A 53 -7.752 -10.942 0.038 1.00 1.00 C ATOM 385 C ASP A 53 -6.243 -10.826 -0.135 1.00 0.89 C ATOM 386 O ASP A 53 -5.767 -10.304 -1.147 1.00 0.82 O ATOM 387 CB ASP A 53 -8.186 -12.337 -0.428 1.00 1.18 C ATOM 388 CG ASP A 53 -9.628 -12.662 -0.107 1.00 1.55 C ATOM 389 OD1 ASP A 53 -9.926 -12.912 1.076 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.470 -12.638 -1.030 1.00 2.10 O ATOM 0 H ASP A 53 -8.848 -10.203 -1.593 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.022 -10.813 1.086 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.036 -12.414 -1.505 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.542 -13.083 0.038 1.00 1.18 H new ATOM 395 N PRO A 54 -5.469 -11.329 0.841 1.00 1.02 N ATOM 396 CA PRO A 54 -4.009 -11.434 0.725 1.00 1.10 C ATOM 397 C PRO A 54 -3.609 -12.456 -0.335 1.00 1.03 C ATOM 398 O PRO A 54 -2.447 -12.561 -0.712 1.00 1.68 O ATOM 399 CB PRO A 54 -3.569 -11.911 2.113 1.00 1.35 C ATOM 400 CG PRO A 54 -4.775 -12.565 2.695 1.00 1.43 C ATOM 401 CD PRO A 54 -5.954 -11.814 2.147 1.00 1.25 C ATOM 0 HA PRO A 54 -3.549 -10.493 0.425 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -2.735 -12.610 2.044 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -3.236 -11.077 2.730 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -4.820 -13.618 2.419 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -4.756 -12.522 3.784 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -6.826 -12.458 2.038 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -6.245 -10.991 2.799 1.00 1.25 H new ATOM 409 N LYS A 55 -4.599 -13.199 -0.806 1.00 0.89 N ATOM 410 CA LYS A 55 -4.390 -14.242 -1.803 1.00 0.96 C ATOM 411 C LYS A 55 -4.773 -13.757 -3.196 1.00 0.82 C ATOM 412 O LYS A 55 -4.778 -14.532 -4.151 1.00 0.92 O ATOM 413 CB LYS A 55 -5.232 -15.468 -1.454 1.00 1.26 C ATOM 414 CG LYS A 55 -4.872 -16.103 -0.125 1.00 1.53 C ATOM 415 CD LYS A 55 -5.855 -17.197 0.277 1.00 2.06 C ATOM 416 CE LYS A 55 -5.701 -18.474 -0.547 1.00 2.89 C ATOM 417 NZ LYS A 55 -6.185 -18.328 -1.948 1.00 3.61 N ATOM 0 H LYS A 55 -5.570 -13.097 -0.509 1.00 0.89 H new ATOM 0 HA LYS A 55 -3.331 -14.501 -1.801 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -6.283 -15.181 -1.435 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -5.118 -16.211 -2.243 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -3.868 -16.524 -0.186 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -4.850 -15.335 0.648 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -5.715 -17.433 1.332 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -6.872 -16.821 0.167 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -4.651 -18.766 -0.560 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -6.250 -19.281 -0.062 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -6.701 -19.186 -2.228 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -6.819 -17.506 -2.012 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -5.373 -18.189 -2.583 1.00 3.61 H new ATOM 431 N GLN A 56 -5.105 -12.478 -3.307 1.00 0.72 N ATOM 432 CA GLN A 56 -5.571 -11.920 -4.571 1.00 0.73 C ATOM 433 C GLN A 56 -4.448 -11.218 -5.327 1.00 0.63 C ATOM 434 O GLN A 56 -4.091 -11.609 -6.438 1.00 0.79 O ATOM 435 CB GLN A 56 -6.717 -10.932 -4.329 1.00 0.87 C ATOM 436 CG GLN A 56 -8.000 -11.582 -3.835 1.00 1.32 C ATOM 437 CD GLN A 56 -8.641 -12.485 -4.873 1.00 1.92 C ATOM 438 OE1 GLN A 56 -8.500 -12.263 -6.075 1.00 2.50 O ATOM 439 NE2 GLN A 56 -9.356 -13.500 -4.415 1.00 2.41 N ATOM 0 H GLN A 56 -5.061 -11.808 -2.539 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.926 -12.752 -5.180 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.394 -10.189 -3.600 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.926 -10.399 -5.257 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.785 -12.163 -2.938 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.709 -10.805 -3.549 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -9.447 -13.647 -3.410 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -9.816 -14.135 -5.067 1.00 2.41 H new ATOM 448 N VAL A 57 -3.880 -10.197 -4.708 1.00 0.52 N ATOM 449 CA VAL A 57 -2.949 -9.301 -5.392 1.00 0.48 C ATOM 450 C VAL A 57 -1.501 -9.772 -5.336 1.00 0.55 C ATOM 451 O VAL A 57 -0.594 -8.964 -5.179 1.00 0.97 O ATOM 452 CB VAL A 57 -3.013 -8.072 -4.907 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.233 -7.353 -5.466 1.00 0.62 C ATOM 454 CG2 VAL A 57 -3.049 -8.075 -3.386 1.00 0.58 C ATOM 0 H VAL A 57 -4.045 -9.963 -3.729 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.266 -9.310 -6.435 1.00 0.48 H new ATOM 0 HB VAL A 57 -2.113 -7.540 -5.215 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.277 -6.342 -5.061 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.161 -7.306 -6.553 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -5.136 -7.896 -5.185 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -3.101 -7.049 -3.021 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.924 -8.627 -3.044 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -2.147 -8.551 -3.002 1.00 0.58 H new ATOM 464 N ILE A 58 -1.277 -11.065 -5.484 1.00 0.51 N ATOM 465 CA ILE A 58 0.080 -11.588 -5.443 1.00 0.57 C ATOM 466 C ILE A 58 0.664 -11.621 -6.846 1.00 0.57 C ATOM 467 O ILE A 58 0.116 -12.275 -7.737 1.00 0.66 O ATOM 468 CB ILE A 58 0.128 -12.804 -4.917 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.651 -12.867 -3.601 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.581 -13.230 -4.697 1.00 1.09 C ATOM 471 CD1 ILE A 58 -0.719 -14.254 -2.998 1.00 1.01 C ATOM 0 H ILE A 58 -2.004 -11.765 -5.632 1.00 0.51 H new ATOM 0 HA ILE A 58 0.667 -10.924 -4.808 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.340 -13.495 -5.619 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -0.188 -12.191 -2.883 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -1.665 -12.505 -3.772 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.605 -14.230 -4.265 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.107 -13.234 -5.651 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.067 -12.529 -4.018 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -1.286 -14.219 -2.068 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -1.210 -14.931 -3.697 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.290 -14.612 -2.794 1.00 1.01 H new ATOM 483 N GLY A 59 1.767 -10.908 -7.048 1.00 0.59 N ATOM 484 CA GLY A 59 2.313 -10.762 -8.378 1.00 0.66 C ATOM 485 C GLY A 59 1.465 -9.825 -9.197 1.00 0.56 C ATOM 486 O GLY A 59 1.307 -9.988 -10.410 1.00 0.65 O ATOM 0 H GLY A 59 2.290 -10.431 -6.314 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.333 -10.381 -8.319 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.364 -11.736 -8.865 1.00 0.66 H new ATOM 490 N LYS A 60 0.899 -8.852 -8.510 1.00 0.48 N ATOM 491 CA LYS A 60 0.040 -7.868 -9.122 1.00 0.45 C ATOM 492 C LYS A 60 0.597 -6.473 -8.887 1.00 0.38 C ATOM 493 O LYS A 60 1.024 -6.153 -7.782 1.00 0.43 O ATOM 494 CB LYS A 60 -1.365 -7.990 -8.540 1.00 0.49 C ATOM 495 CG LYS A 60 -2.306 -8.835 -9.382 1.00 0.80 C ATOM 496 CD LYS A 60 -3.689 -8.921 -8.756 1.00 1.12 C ATOM 497 CE LYS A 60 -4.684 -9.627 -9.667 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.934 -8.863 -10.918 1.00 1.82 N ATOM 0 H LYS A 60 1.025 -8.725 -7.506 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.006 -8.042 -10.197 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.298 -8.422 -7.542 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.790 -6.992 -8.428 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.384 -8.408 -10.382 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.894 -9.838 -9.495 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.625 -9.454 -7.807 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.050 -7.917 -8.534 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.306 -10.618 -9.917 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.625 -9.769 -9.135 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.713 -9.306 -11.445 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -5.189 -7.883 -10.681 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -4.075 -8.865 -11.504 1.00 1.82 H new ATOM 512 N ASN A 61 0.604 -5.651 -9.924 1.00 0.43 N ATOM 513 CA ASN A 61 1.156 -4.306 -9.813 1.00 0.42 C ATOM 514 C ASN A 61 0.140 -3.368 -9.174 1.00 0.39 C ATOM 515 O ASN A 61 -0.905 -3.079 -9.757 1.00 0.42 O ATOM 516 CB ASN A 61 1.569 -3.768 -11.185 1.00 0.52 C ATOM 517 CG ASN A 61 2.364 -2.476 -11.082 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.800 -1.388 -11.001 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.681 -2.587 -11.099 1.00 0.71 N ATOM 0 H ASN A 61 0.237 -5.887 -10.846 1.00 0.43 H new ATOM 0 HA ASN A 61 2.043 -4.357 -9.181 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.166 -4.519 -11.703 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.678 -3.597 -11.789 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.264 -1.752 -11.044 1.00 0.71 H new ATOM 0 HD22 ASN A 61 4.114 -3.508 -11.167 1.00 0.71 H new ATOM 526 N PHE A 62 0.452 -2.904 -7.971 1.00 0.38 N ATOM 527 CA PHE A 62 -0.450 -2.045 -7.206 1.00 0.40 C ATOM 528 C PHE A 62 -0.807 -0.781 -7.983 1.00 0.47 C ATOM 529 O PHE A 62 -1.960 -0.366 -8.008 1.00 0.70 O ATOM 530 CB PHE A 62 0.204 -1.669 -5.870 1.00 0.43 C ATOM 531 CG PHE A 62 -0.697 -0.912 -4.932 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.548 0.454 -4.762 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.696 -1.566 -4.231 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.377 1.155 -3.911 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.527 -0.870 -3.376 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.351 0.477 -3.186 1.00 0.53 C ATOM 0 H PHE A 62 1.332 -3.110 -7.498 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.371 -2.598 -7.022 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.542 -2.579 -5.375 1.00 0.43 H new ATOM 0 HB3 PHE A 62 1.090 -1.067 -6.069 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.227 0.977 -5.302 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -1.826 -2.631 -4.354 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.270 2.225 -3.808 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.319 -1.388 -2.855 1.00 0.56 H new ATOM 0 HZ PHE A 62 -2.967 1.009 -2.476 1.00 0.53 H new ATOM 546 N PHE A 63 0.176 -0.209 -8.655 1.00 0.46 N ATOM 547 CA PHE A 63 0.029 1.104 -9.279 1.00 0.55 C ATOM 548 C PHE A 63 -0.461 0.992 -10.727 1.00 0.66 C ATOM 549 O PHE A 63 -0.230 1.888 -11.541 1.00 0.91 O ATOM 550 CB PHE A 63 1.378 1.823 -9.255 1.00 0.57 C ATOM 551 CG PHE A 63 2.012 1.871 -7.891 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.963 0.934 -7.521 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.660 2.859 -6.983 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.550 0.981 -6.271 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.244 2.910 -5.734 1.00 1.04 C ATOM 556 CZ PHE A 63 3.179 1.953 -5.371 1.00 1.16 C ATOM 0 H PHE A 63 1.094 -0.634 -8.786 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.715 1.667 -8.716 1.00 0.55 H new ATOM 0 HB2 PHE A 63 2.058 1.324 -9.945 1.00 0.57 H new ATOM 0 HB3 PHE A 63 1.244 2.841 -9.620 1.00 0.57 H new ATOM 0 HD1 PHE A 63 3.249 0.159 -8.217 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.920 3.597 -7.257 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.301 0.254 -6.000 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.974 3.693 -5.041 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.615 1.971 -4.383 1.00 1.16 H new ATOM 566 N LYS A 64 -1.158 -0.089 -11.048 1.00 0.57 N ATOM 567 CA LYS A 64 -1.571 -0.327 -12.429 1.00 0.72 C ATOM 568 C LYS A 64 -2.753 -1.290 -12.491 1.00 0.72 C ATOM 569 O LYS A 64 -3.729 -1.042 -13.195 1.00 0.90 O ATOM 570 CB LYS A 64 -0.394 -0.897 -13.234 1.00 0.82 C ATOM 571 CG LYS A 64 -0.416 -0.576 -14.730 1.00 1.56 C ATOM 572 CD LYS A 64 -1.555 -1.273 -15.465 1.00 2.11 C ATOM 573 CE LYS A 64 -1.398 -2.789 -15.473 1.00 2.85 C ATOM 574 NZ LYS A 64 -0.186 -3.226 -16.216 1.00 3.58 N ATOM 0 H LYS A 64 -1.447 -0.807 -10.384 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.882 0.624 -12.860 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.535 -0.516 -12.810 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.380 -1.980 -13.111 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.508 0.502 -14.865 1.00 1.56 H new ATOM 0 HG3 LYS A 64 0.534 -0.873 -15.175 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -2.502 -1.011 -14.994 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -1.598 -0.909 -16.492 1.00 2.11 H new ATOM 0 HE2 LYS A 64 -1.343 -3.152 -14.447 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -2.281 -3.241 -15.924 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 -0.217 -4.256 -16.356 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -0.156 -2.752 -17.141 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 0.664 -2.976 -15.671 1.00 3.58 H new ATOM 588 N ASP A 65 -2.655 -2.383 -11.751 1.00 0.60 N ATOM 589 CA ASP A 65 -3.621 -3.470 -11.849 1.00 0.69 C ATOM 590 C ASP A 65 -4.971 -3.081 -11.252 1.00 0.74 C ATOM 591 O ASP A 65 -5.905 -2.723 -11.974 1.00 1.10 O ATOM 592 CB ASP A 65 -3.072 -4.715 -11.150 1.00 0.79 C ATOM 593 CG ASP A 65 -3.905 -5.952 -11.401 1.00 1.38 C ATOM 594 OD1 ASP A 65 -3.641 -6.652 -12.401 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.795 -6.252 -10.584 1.00 2.20 O ATOM 0 H ASP A 65 -1.912 -2.543 -11.071 1.00 0.60 H new ATOM 0 HA ASP A 65 -3.780 -3.686 -12.906 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.052 -4.896 -11.490 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.022 -4.530 -10.077 1.00 0.79 H new ATOM 600 N VAL A 66 -5.065 -3.125 -9.935 1.00 0.70 N ATOM 601 CA VAL A 66 -6.344 -2.952 -9.266 1.00 0.82 C ATOM 602 C VAL A 66 -6.288 -1.824 -8.225 1.00 0.70 C ATOM 603 O VAL A 66 -6.879 -1.880 -7.137 1.00 0.80 O ATOM 604 CB VAL A 66 -6.724 -4.109 -8.755 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.831 -4.550 -7.596 1.00 1.45 C ATOM 606 CG2 VAL A 66 -8.199 -4.122 -8.388 1.00 1.77 C ATOM 0 H VAL A 66 -4.275 -3.278 -9.309 1.00 0.70 H new ATOM 0 HA VAL A 66 -7.097 -2.640 -9.990 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.598 -4.852 -9.542 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -6.183 -5.506 -7.209 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -4.805 -4.656 -7.948 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.867 -3.802 -6.804 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -8.462 -5.095 -7.972 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -8.397 -3.346 -7.649 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -8.797 -3.935 -9.280 1.00 1.77 H new ATOM 616 N ALA A 67 -5.538 -0.801 -8.583 1.00 0.56 N ATOM 617 CA ALA A 67 -5.435 0.416 -7.780 1.00 0.53 C ATOM 618 C ALA A 67 -4.838 1.566 -8.597 1.00 0.49 C ATOM 619 O ALA A 67 -3.640 1.830 -8.542 1.00 0.61 O ATOM 620 CB ALA A 67 -4.612 0.167 -6.521 1.00 0.60 C ATOM 0 H ALA A 67 -4.980 -0.783 -9.437 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.442 0.703 -7.479 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.549 1.087 -5.940 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.089 -0.609 -5.922 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.609 -0.155 -6.800 1.00 0.60 H new ATOM 626 N PRO A 68 -5.660 2.237 -9.410 1.00 0.44 N ATOM 627 CA PRO A 68 -5.222 3.358 -10.227 1.00 0.47 C ATOM 628 C PRO A 68 -5.516 4.728 -9.615 1.00 0.55 C ATOM 629 O PRO A 68 -5.360 5.752 -10.284 1.00 0.81 O ATOM 630 CB PRO A 68 -6.037 3.147 -11.500 1.00 0.56 C ATOM 631 CG PRO A 68 -7.319 2.513 -11.043 1.00 0.69 C ATOM 632 CD PRO A 68 -7.070 1.921 -9.670 1.00 0.47 C ATOM 0 HA PRO A 68 -4.140 3.372 -10.362 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.224 4.092 -12.009 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.509 2.505 -12.204 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.119 3.252 -11.003 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.635 1.739 -11.743 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.725 2.361 -8.918 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.249 0.846 -9.658 1.00 0.47 H new ATOM 640 N CYS A 69 -5.957 4.766 -8.365 1.00 0.51 N ATOM 641 CA CYS A 69 -6.052 6.040 -7.666 1.00 0.61 C ATOM 642 C CYS A 69 -4.670 6.488 -7.193 1.00 0.59 C ATOM 643 O CYS A 69 -4.400 7.684 -7.103 1.00 0.81 O ATOM 644 CB CYS A 69 -7.025 5.977 -6.481 1.00 0.85 C ATOM 645 SG CYS A 69 -6.317 5.387 -4.905 1.00 0.81 S ATOM 0 H CYS A 69 -6.248 3.951 -7.825 1.00 0.51 H new ATOM 0 HA CYS A 69 -6.446 6.771 -8.372 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.439 6.972 -6.322 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.856 5.325 -6.751 1.00 0.85 H new ATOM 0 HG CYS A 69 -7.240 5.384 -3.989 1.00 0.81 H new ATOM 650 N THR A 70 -3.737 5.544 -7.146 1.00 0.61 N ATOM 651 CA THR A 70 -2.807 5.486 -6.038 1.00 0.58 C ATOM 652 C THR A 70 -1.489 6.185 -6.391 1.00 0.55 C ATOM 653 O THR A 70 -0.810 6.717 -5.510 1.00 0.64 O ATOM 654 CB THR A 70 -2.589 4.234 -5.651 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.886 4.233 -4.402 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.802 3.427 -6.673 1.00 1.07 C ATOM 0 H THR A 70 -3.609 4.821 -7.854 1.00 0.61 H new ATOM 0 HA THR A 70 -3.260 6.017 -5.201 1.00 0.58 H new ATOM 0 HB THR A 70 -3.564 3.759 -5.545 1.00 0.63 H new ATOM 0 HG1 THR A 70 -0.921 4.219 -4.570 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.655 2.413 -6.301 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.354 3.393 -7.612 1.00 1.07 H new ATOM 0 HG23 THR A 70 -0.832 3.897 -6.839 1.00 1.07 H new ATOM 664 N ASP A 71 -1.161 6.237 -7.684 1.00 0.55 N ATOM 665 CA ASP A 71 0.077 6.896 -8.121 1.00 0.63 C ATOM 666 C ASP A 71 0.039 8.390 -7.852 1.00 0.70 C ATOM 667 O ASP A 71 -0.930 9.065 -8.199 1.00 0.88 O ATOM 668 CB ASP A 71 0.341 6.675 -9.606 1.00 0.76 C ATOM 669 CG ASP A 71 0.862 5.295 -9.913 1.00 0.96 C ATOM 670 OD1 ASP A 71 0.040 4.411 -10.212 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.095 5.097 -9.887 1.00 1.34 O ATOM 0 H ASP A 71 -1.722 5.839 -8.437 1.00 0.55 H new ATOM 0 HA ASP A 71 0.882 6.444 -7.542 1.00 0.63 H new ATOM 0 HB2 ASP A 71 -0.582 6.841 -10.162 1.00 0.76 H new ATOM 0 HB3 ASP A 71 1.061 7.415 -9.955 1.00 0.76 H new ATOM 676 N SER A 72 1.109 8.901 -7.253 1.00 0.66 N ATOM 677 CA SER A 72 1.218 10.317 -6.927 1.00 0.77 C ATOM 678 C SER A 72 2.555 10.581 -6.246 1.00 0.76 C ATOM 679 O SER A 72 3.131 9.675 -5.651 1.00 0.71 O ATOM 680 CB SER A 72 0.072 10.739 -6.004 1.00 0.88 C ATOM 681 OG SER A 72 0.053 9.942 -4.833 1.00 1.56 O ATOM 0 H SER A 72 1.922 8.348 -6.981 1.00 0.66 H new ATOM 0 HA SER A 72 1.158 10.899 -7.847 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.184 11.789 -5.734 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.878 10.645 -6.529 1.00 0.88 H new ATOM 0 HG SER A 72 -0.875 9.750 -4.583 1.00 1.56 H new ATOM 687 N PRO A 73 3.077 11.814 -6.319 1.00 0.90 N ATOM 688 CA PRO A 73 4.333 12.175 -5.654 1.00 0.99 C ATOM 689 C PRO A 73 4.227 12.097 -4.131 1.00 0.96 C ATOM 690 O PRO A 73 5.235 12.003 -3.428 1.00 1.05 O ATOM 691 CB PRO A 73 4.581 13.623 -6.097 1.00 1.13 C ATOM 692 CG PRO A 73 3.705 13.826 -7.288 1.00 1.17 C ATOM 693 CD PRO A 73 2.512 12.942 -7.074 1.00 1.05 C ATOM 0 HA PRO A 73 5.140 11.493 -5.922 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.332 14.326 -5.302 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.630 13.783 -6.348 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.406 14.870 -7.380 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.228 13.562 -8.207 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.726 13.450 -6.515 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.073 12.618 -8.018 1.00 1.05 H new ATOM 701 N GLU A 74 2.999 12.119 -3.629 1.00 0.91 N ATOM 702 CA GLU A 74 2.757 12.095 -2.193 1.00 0.96 C ATOM 703 C GLU A 74 2.567 10.669 -1.675 1.00 0.93 C ATOM 704 O GLU A 74 2.800 10.401 -0.503 1.00 1.25 O ATOM 705 CB GLU A 74 1.555 12.975 -1.843 1.00 1.07 C ATOM 706 CG GLU A 74 0.321 12.702 -2.684 1.00 0.90 C ATOM 707 CD GLU A 74 -0.728 13.780 -2.528 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.804 13.478 -1.975 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.478 14.933 -2.938 1.00 1.58 O ATOM 0 H GLU A 74 2.153 12.154 -4.198 1.00 0.91 H new ATOM 0 HA GLU A 74 3.639 12.500 -1.697 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.305 12.829 -0.792 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.838 14.021 -1.961 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.608 12.626 -3.733 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.105 11.740 -2.400 1.00 0.90 H new ATOM 716 N PHE A 75 2.141 9.754 -2.539 1.00 0.80 N ATOM 717 CA PHE A 75 2.065 8.347 -2.156 1.00 0.79 C ATOM 718 C PHE A 75 3.214 7.574 -2.780 1.00 0.66 C ATOM 719 O PHE A 75 4.159 7.189 -2.095 1.00 0.66 O ATOM 720 CB PHE A 75 0.730 7.717 -2.570 1.00 0.87 C ATOM 721 CG PHE A 75 0.620 6.261 -2.203 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.886 5.272 -3.138 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.265 5.881 -0.920 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.801 3.935 -2.797 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.177 4.546 -0.575 1.00 2.61 C ATOM 726 CZ PHE A 75 0.445 3.573 -1.514 1.00 3.36 C ATOM 0 H PHE A 75 1.847 9.955 -3.495 1.00 0.80 H new ATOM 0 HA PHE A 75 2.137 8.297 -1.070 1.00 0.79 H new ATOM 0 HB2 PHE A 75 -0.085 8.266 -2.098 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.604 7.824 -3.647 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.163 5.550 -4.144 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.054 6.638 -0.179 1.00 1.74 H new ATOM 0 HE1 PHE A 75 1.013 3.175 -3.534 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.102 4.265 0.430 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.376 2.529 -1.246 1.00 3.36 H new ATOM 736 N TYR A 76 3.133 7.370 -4.087 1.00 0.59 N ATOM 737 CA TYR A 76 4.160 6.644 -4.820 1.00 0.50 C ATOM 738 C TYR A 76 5.500 7.357 -4.695 1.00 0.47 C ATOM 739 O TYR A 76 6.541 6.723 -4.558 1.00 0.49 O ATOM 740 CB TYR A 76 3.758 6.502 -6.291 1.00 0.51 C ATOM 741 CG TYR A 76 4.799 5.810 -7.147 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.522 6.517 -8.101 1.00 0.58 C ATOM 743 CD2 TYR A 76 5.065 4.454 -6.996 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.480 5.893 -8.875 1.00 0.66 C ATOM 745 CE2 TYR A 76 6.020 3.822 -7.768 1.00 0.59 C ATOM 746 CZ TYR A 76 6.724 4.547 -8.706 1.00 0.65 C ATOM 747 OH TYR A 76 7.686 3.924 -9.468 1.00 0.79 O ATOM 0 H TYR A 76 2.360 7.700 -4.665 1.00 0.59 H new ATOM 0 HA TYR A 76 4.261 5.647 -4.392 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.824 5.944 -6.350 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.564 7.493 -6.702 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.331 7.571 -8.239 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.515 3.884 -6.262 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.036 6.457 -9.610 1.00 0.66 H new ATOM 0 HE2 TYR A 76 6.214 2.768 -7.638 1.00 0.59 H new ATOM 0 HH TYR A 76 7.733 2.976 -9.224 1.00 0.79 H new ATOM 757 N GLY A 77 5.455 8.679 -4.722 1.00 0.48 N ATOM 758 CA GLY A 77 6.656 9.473 -4.566 1.00 0.50 C ATOM 759 C GLY A 77 7.304 9.284 -3.209 1.00 0.52 C ATOM 760 O GLY A 77 8.524 9.307 -3.094 1.00 0.60 O ATOM 0 H GLY A 77 4.601 9.221 -4.850 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.369 9.205 -5.346 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.412 10.526 -4.705 1.00 0.50 H new ATOM 764 N LYS A 78 6.489 9.091 -2.177 1.00 0.53 N ATOM 765 CA LYS A 78 7.009 8.851 -0.835 1.00 0.60 C ATOM 766 C LYS A 78 7.456 7.406 -0.689 1.00 0.59 C ATOM 767 O LYS A 78 8.440 7.119 -0.011 1.00 0.66 O ATOM 768 CB LYS A 78 5.968 9.206 0.228 1.00 0.69 C ATOM 769 CG LYS A 78 5.763 10.701 0.405 1.00 0.77 C ATOM 770 CD LYS A 78 7.032 11.373 0.899 1.00 1.17 C ATOM 771 CE LYS A 78 6.881 12.882 0.963 1.00 1.41 C ATOM 772 NZ LYS A 78 8.152 13.546 1.355 1.00 2.09 N ATOM 0 H LYS A 78 5.471 9.096 -2.243 1.00 0.53 H new ATOM 0 HA LYS A 78 7.874 9.497 -0.685 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.016 8.747 -0.040 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.273 8.774 1.181 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.459 11.144 -0.543 1.00 0.77 H new ATOM 0 HG3 LYS A 78 4.954 10.879 1.114 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.285 10.991 1.888 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.860 11.118 0.237 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.559 13.257 -0.009 1.00 1.41 H new ATOM 0 HE3 LYS A 78 6.100 13.140 1.679 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 7.978 14.558 1.520 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.517 13.111 2.226 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.851 13.434 0.593 1.00 2.09 H new ATOM 786 N PHE A 79 6.735 6.506 -1.342 1.00 0.52 N ATOM 787 CA PHE A 79 7.146 5.114 -1.423 1.00 0.50 C ATOM 788 C PHE A 79 8.532 5.036 -2.051 1.00 0.51 C ATOM 789 O PHE A 79 9.422 4.361 -1.541 1.00 0.56 O ATOM 790 CB PHE A 79 6.127 4.311 -2.246 1.00 0.48 C ATOM 791 CG PHE A 79 6.495 2.862 -2.431 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.054 1.893 -1.539 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.295 2.471 -3.495 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.406 0.569 -1.708 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.644 1.148 -3.668 1.00 0.61 C ATOM 796 CZ PHE A 79 7.201 0.198 -2.772 1.00 0.65 C ATOM 0 H PHE A 79 5.861 6.717 -1.824 1.00 0.52 H new ATOM 0 HA PHE A 79 7.187 4.684 -0.422 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.154 4.369 -1.757 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.020 4.776 -3.226 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.430 2.178 -0.705 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.649 3.212 -4.197 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.059 -0.176 -1.007 1.00 0.67 H new ATOM 0 HE2 PHE A 79 8.263 0.857 -4.504 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.477 -0.838 -2.904 1.00 0.65 H new ATOM 806 N LYS A 80 8.715 5.777 -3.137 1.00 0.51 N ATOM 807 CA LYS A 80 9.972 5.767 -3.879 1.00 0.58 C ATOM 808 C LYS A 80 11.033 6.601 -3.177 1.00 0.63 C ATOM 809 O LYS A 80 12.227 6.451 -3.449 1.00 0.66 O ATOM 810 CB LYS A 80 9.767 6.303 -5.299 1.00 0.64 C ATOM 811 CG LYS A 80 8.843 5.452 -6.152 1.00 0.69 C ATOM 812 CD LYS A 80 9.421 4.066 -6.405 1.00 0.72 C ATOM 813 CE LYS A 80 10.633 4.113 -7.327 1.00 0.93 C ATOM 814 NZ LYS A 80 10.316 4.710 -8.656 1.00 1.09 N ATOM 0 H LYS A 80 8.004 6.397 -3.526 1.00 0.51 H new ATOM 0 HA LYS A 80 10.312 4.733 -3.928 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.363 7.313 -5.240 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.736 6.376 -5.793 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.876 5.358 -5.657 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.666 5.951 -7.105 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.705 3.613 -5.455 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.655 3.428 -6.846 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.425 4.692 -6.852 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.017 3.103 -7.468 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.010 4.382 -9.358 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.362 4.418 -8.949 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.355 5.747 -8.589 1.00 1.09 H new ATOM 828 N GLU A 81 10.592 7.464 -2.270 1.00 0.67 N ATOM 829 CA GLU A 81 11.487 8.387 -1.588 1.00 0.78 C ATOM 830 C GLU A 81 12.532 7.613 -0.794 1.00 0.67 C ATOM 831 O GLU A 81 13.691 8.021 -0.712 1.00 0.70 O ATOM 832 CB GLU A 81 10.684 9.325 -0.682 1.00 0.94 C ATOM 833 CG GLU A 81 11.450 10.563 -0.245 1.00 1.25 C ATOM 834 CD GLU A 81 10.550 11.622 0.364 1.00 1.57 C ATOM 835 OE1 GLU A 81 9.899 12.368 -0.400 1.00 2.07 O ATOM 836 OE2 GLU A 81 10.491 11.723 1.608 1.00 2.04 O ATOM 0 H GLU A 81 9.615 7.543 -1.990 1.00 0.67 H new ATOM 0 HA GLU A 81 12.008 8.995 -2.328 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.780 9.635 -1.206 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.366 8.775 0.204 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.211 10.277 0.481 1.00 1.25 H new ATOM 0 HG3 GLU A 81 11.971 10.985 -1.104 1.00 1.25 H new ATOM 843 N GLY A 82 12.129 6.487 -0.222 1.00 0.62 N ATOM 844 CA GLY A 82 13.080 5.619 0.409 1.00 0.62 C ATOM 845 C GLY A 82 13.737 4.697 -0.592 1.00 0.62 C ATOM 846 O GLY A 82 14.961 4.623 -0.655 1.00 0.72 O ATOM 0 H GLY A 82 11.161 6.167 -0.188 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.842 6.216 0.911 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.581 5.028 1.177 1.00 0.62 H new ATOM 850 N VAL A 83 12.912 4.014 -1.385 1.00 0.58 N ATOM 851 CA VAL A 83 13.378 3.036 -2.378 1.00 0.66 C ATOM 852 C VAL A 83 14.557 3.555 -3.205 1.00 0.73 C ATOM 853 O VAL A 83 15.652 2.993 -3.146 1.00 0.85 O ATOM 854 CB VAL A 83 12.399 2.689 -3.208 1.00 0.68 C ATOM 855 CG1 VAL A 83 12.867 1.623 -4.196 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.182 2.195 -2.452 1.00 0.65 C ATOM 0 H VAL A 83 11.898 4.121 -1.360 1.00 0.58 H new ATOM 0 HA VAL A 83 13.709 2.168 -1.807 1.00 0.66 H new ATOM 0 HB VAL A 83 12.118 3.583 -3.765 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.046 1.359 -4.862 1.00 0.83 H new ATOM 0 HG12 VAL A 83 13.700 2.011 -4.783 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.190 0.737 -3.649 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.401 1.920 -3.160 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.453 1.325 -1.855 1.00 0.65 H new ATOM 0 HG23 VAL A 83 10.815 2.985 -1.796 1.00 0.65 H new ATOM 866 N ALA A 84 14.336 4.632 -3.952 1.00 0.70 N ATOM 867 CA ALA A 84 15.343 5.141 -4.881 1.00 0.81 C ATOM 868 C ALA A 84 16.553 5.697 -4.140 1.00 0.92 C ATOM 869 O ALA A 84 17.656 5.750 -4.681 1.00 1.14 O ATOM 870 CB ALA A 84 14.734 6.202 -5.781 1.00 0.85 C ATOM 0 H ALA A 84 13.470 5.170 -3.933 1.00 0.70 H new ATOM 0 HA ALA A 84 15.687 4.310 -5.496 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.493 6.575 -6.469 1.00 0.85 H new ATOM 0 HB2 ALA A 84 13.911 5.769 -6.349 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.361 7.025 -5.172 1.00 0.85 H new ATOM 876 N SER A 85 16.338 6.110 -2.902 1.00 0.92 N ATOM 877 CA SER A 85 17.414 6.618 -2.069 1.00 1.12 C ATOM 878 C SER A 85 18.332 5.479 -1.625 1.00 1.16 C ATOM 879 O SER A 85 19.480 5.378 -2.063 1.00 1.40 O ATOM 880 CB SER A 85 16.830 7.321 -0.848 1.00 1.38 C ATOM 881 OG SER A 85 17.289 8.656 -0.749 1.00 1.82 O ATOM 0 H SER A 85 15.423 6.103 -2.450 1.00 0.92 H new ATOM 0 HA SER A 85 18.001 7.329 -2.650 1.00 1.12 H new ATOM 0 HB2 SER A 85 15.742 7.313 -0.908 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.103 6.773 0.054 1.00 1.38 H new ATOM 0 HG SER A 85 16.895 9.079 0.042 1.00 1.82 H new ATOM 887 N GLY A 86 17.816 4.630 -0.751 1.00 1.12 N ATOM 888 CA GLY A 86 18.578 3.498 -0.267 1.00 1.47 C ATOM 889 C GLY A 86 17.690 2.503 0.437 1.00 1.35 C ATOM 890 O GLY A 86 18.141 1.770 1.315 1.00 1.65 O ATOM 0 H GLY A 86 16.875 4.706 -0.365 1.00 1.12 H new ATOM 0 HA2 GLY A 86 19.082 3.012 -1.102 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.354 3.844 0.416 1.00 1.47 H new ATOM 894 N ASN A 87 16.424 2.491 0.027 1.00 1.30 N ATOM 895 CA ASN A 87 15.374 1.698 0.667 1.00 1.28 C ATOM 896 C ASN A 87 15.108 2.235 2.068 1.00 0.81 C ATOM 897 O ASN A 87 15.910 2.048 2.982 1.00 1.19 O ATOM 898 CB ASN A 87 15.724 0.209 0.722 1.00 1.94 C ATOM 899 CG ASN A 87 16.125 -0.378 -0.621 1.00 2.79 C ATOM 900 OD1 ASN A 87 16.742 -1.442 -0.678 1.00 3.50 O ATOM 901 ND2 ASN A 87 15.817 0.317 -1.708 1.00 3.16 N ATOM 0 H ASN A 87 16.093 3.038 -0.768 1.00 1.30 H new ATOM 0 HA ASN A 87 14.472 1.790 0.062 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.540 0.063 1.430 1.00 1.94 H new ATOM 0 HB3 ASN A 87 14.866 -0.342 1.107 1.00 1.94 H new ATOM 0 HD21 ASN A 87 16.092 -0.027 -2.628 1.00 3.16 H new ATOM 0 HD22 ASN A 87 15.305 1.195 -1.624 1.00 3.16 H new ATOM 908 N LEU A 88 13.974 2.893 2.242 1.00 0.61 N ATOM 909 CA LEU A 88 13.736 3.645 3.457 1.00 0.75 C ATOM 910 C LEU A 88 12.259 3.686 3.807 1.00 0.56 C ATOM 911 O LEU A 88 11.400 3.652 2.928 1.00 1.00 O ATOM 912 CB LEU A 88 14.292 5.068 3.321 1.00 1.61 C ATOM 913 CG LEU A 88 14.190 5.948 4.572 1.00 2.22 C ATOM 914 CD1 LEU A 88 15.077 5.405 5.688 1.00 2.96 C ATOM 915 CD2 LEU A 88 14.564 7.386 4.237 1.00 2.90 C ATOM 0 H LEU A 88 13.213 2.921 1.564 1.00 0.61 H new ATOM 0 HA LEU A 88 14.256 3.137 4.269 1.00 0.75 H new ATOM 0 HB2 LEU A 88 15.341 5.002 3.031 1.00 1.61 H new ATOM 0 HB3 LEU A 88 13.767 5.566 2.506 1.00 1.61 H new ATOM 0 HG LEU A 88 13.158 5.932 4.924 1.00 2.22 H new ATOM 0 HD11 LEU A 88 14.989 6.045 6.566 1.00 2.96 H new ATOM 0 HD12 LEU A 88 14.762 4.393 5.943 1.00 2.96 H new ATOM 0 HD13 LEU A 88 16.114 5.389 5.353 1.00 2.96 H new ATOM 0 HD21 LEU A 88 14.487 8.000 5.134 1.00 2.90 H new ATOM 0 HD22 LEU A 88 15.587 7.418 3.862 1.00 2.90 H new ATOM 0 HD23 LEU A 88 13.886 7.770 3.475 1.00 2.90 H new ATOM 927 N ASN A 89 11.991 3.746 5.104 1.00 0.54 N ATOM 928 CA ASN A 89 10.636 3.819 5.626 1.00 0.47 C ATOM 929 C ASN A 89 10.157 5.252 5.742 1.00 0.59 C ATOM 930 O ASN A 89 10.928 6.164 6.051 1.00 0.97 O ATOM 931 CB ASN A 89 10.539 3.120 6.994 1.00 0.50 C ATOM 932 CG ASN A 89 11.624 3.503 7.999 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.984 2.698 8.857 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.140 4.722 7.930 1.00 1.82 N ATOM 0 H ASN A 89 12.712 3.745 5.826 1.00 0.54 H new ATOM 0 HA ASN A 89 9.989 3.303 4.917 1.00 0.47 H new ATOM 0 HB2 ASN A 89 9.566 3.345 7.431 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.576 2.042 6.837 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.854 5.012 8.598 1.00 1.82 H new ATOM 0 HD22 ASN A 89 11.823 5.370 7.208 1.00 1.82 H new ATOM 941 N THR A 90 8.882 5.444 5.486 1.00 0.51 N ATOM 942 CA THR A 90 8.258 6.724 5.681 1.00 0.61 C ATOM 943 C THR A 90 6.787 6.535 6.035 1.00 0.53 C ATOM 944 O THR A 90 6.182 5.499 5.743 1.00 0.51 O ATOM 945 CB THR A 90 8.404 7.519 4.622 1.00 0.75 C ATOM 946 OG1 THR A 90 8.020 8.865 4.951 1.00 1.63 O ATOM 947 CG2 THR A 90 7.605 7.038 3.418 1.00 1.39 C ATOM 0 H THR A 90 8.255 4.718 5.139 1.00 0.51 H new ATOM 0 HA THR A 90 8.759 7.221 6.512 1.00 0.61 H new ATOM 0 HB THR A 90 9.459 7.491 4.349 1.00 0.75 H new ATOM 0 HG1 THR A 90 8.134 9.439 4.165 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.759 7.721 2.583 1.00 1.39 H new ATOM 0 HG22 THR A 90 7.938 6.039 3.136 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.545 7.009 3.672 1.00 1.39 H new ATOM 955 N MET A 91 6.248 7.497 6.745 1.00 0.55 N ATOM 956 CA MET A 91 4.849 7.475 7.143 1.00 0.51 C ATOM 957 C MET A 91 4.172 8.766 6.711 1.00 0.57 C ATOM 958 O MET A 91 4.639 9.863 7.029 1.00 0.75 O ATOM 959 CB MET A 91 4.712 7.272 8.659 1.00 0.60 C ATOM 960 CG MET A 91 5.404 8.334 9.502 1.00 1.14 C ATOM 961 SD MET A 91 5.294 8.002 11.272 1.00 1.61 S ATOM 962 CE MET A 91 3.516 7.979 11.505 1.00 1.77 C ATOM 0 H MET A 91 6.760 8.319 7.066 1.00 0.55 H new ATOM 0 HA MET A 91 4.359 6.635 6.650 1.00 0.51 H new ATOM 0 HB2 MET A 91 3.653 7.255 8.916 1.00 0.60 H new ATOM 0 HB3 MET A 91 5.120 6.296 8.921 1.00 0.60 H new ATOM 0 HG2 MET A 91 6.453 8.394 9.213 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.959 9.306 9.291 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.285 8.141 12.558 1.00 1.77 H new ATOM 0 HE2 MET A 91 3.061 8.769 10.908 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.120 7.013 11.191 1.00 1.77 H new ATOM 972 N PHE A 92 3.087 8.642 5.970 1.00 0.49 N ATOM 973 CA PHE A 92 2.388 9.806 5.453 1.00 0.55 C ATOM 974 C PHE A 92 0.884 9.577 5.438 1.00 0.48 C ATOM 975 O PHE A 92 0.416 8.449 5.584 1.00 0.47 O ATOM 976 CB PHE A 92 2.898 10.166 4.050 1.00 0.72 C ATOM 977 CG PHE A 92 2.854 9.031 3.063 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.787 8.897 2.193 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.885 8.107 3.006 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.749 7.863 1.281 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.851 7.068 2.097 1.00 2.86 C ATOM 982 CZ PHE A 92 2.783 6.946 1.233 1.00 3.01 C ATOM 0 H PHE A 92 2.670 7.748 5.712 1.00 0.49 H new ATOM 0 HA PHE A 92 2.593 10.645 6.117 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.303 10.993 3.661 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.925 10.522 4.130 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.976 9.609 2.228 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.724 8.200 3.680 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.912 7.770 0.605 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.659 6.352 2.063 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.754 6.135 0.520 1.00 3.01 H new ATOM 992 N GLU A 93 0.139 10.653 5.273 1.00 0.48 N ATOM 993 CA GLU A 93 -1.310 10.591 5.251 1.00 0.47 C ATOM 994 C GLU A 93 -1.805 10.739 3.821 1.00 0.45 C ATOM 995 O GLU A 93 -1.484 11.716 3.144 1.00 0.53 O ATOM 996 CB GLU A 93 -1.873 11.701 6.132 1.00 0.58 C ATOM 997 CG GLU A 93 -3.355 11.574 6.430 1.00 1.30 C ATOM 998 CD GLU A 93 -3.841 12.683 7.335 1.00 1.73 C ATOM 999 OE1 GLU A 93 -4.731 13.451 6.921 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -3.312 12.812 8.455 1.00 2.04 O ATOM 0 H GLU A 93 0.519 11.592 5.151 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.647 9.629 5.636 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.325 11.713 7.074 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.693 12.660 5.646 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.917 11.594 5.496 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.550 10.610 6.899 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.587 9.778 3.362 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.001 9.747 1.972 1.00 0.51 C ATOM 1009 C TYR A 94 -4.484 9.409 1.863 1.00 0.42 C ATOM 1010 O TYR A 94 -5.088 8.901 2.807 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.153 8.723 1.206 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.285 8.817 -0.298 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.799 7.758 -1.031 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.903 9.965 -0.981 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.925 7.836 -2.403 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.027 10.050 -2.356 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.515 8.997 -3.064 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.671 9.061 -4.432 1.00 3.37 O ATOM 0 H TYR A 94 -2.947 9.011 3.930 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.848 10.732 1.532 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.106 8.858 1.478 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.438 7.720 1.524 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.106 6.857 -0.520 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.503 10.804 -0.430 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.337 7.008 -2.961 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -1.735 10.955 -2.868 1.00 1.83 H new ATOM 0 HH TYR A 94 -2.164 8.336 -4.853 1.00 3.37 H new ATOM 1028 N THR A 95 -5.068 9.711 0.719 1.00 0.46 N ATOM 1029 CA THR A 95 -6.464 9.421 0.470 1.00 0.46 C ATOM 1030 C THR A 95 -6.595 8.241 -0.499 1.00 0.47 C ATOM 1031 O THR A 95 -5.839 8.142 -1.459 1.00 0.60 O ATOM 1032 CB THR A 95 -7.067 10.497 -0.013 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.920 11.581 0.923 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.541 10.268 -0.294 1.00 1.09 C ATOM 0 H THR A 95 -4.589 10.162 -0.060 1.00 0.46 H new ATOM 0 HA THR A 95 -6.946 9.145 1.408 1.00 0.46 H new ATOM 0 HB THR A 95 -6.593 10.738 -0.964 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.363 12.381 0.570 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.983 11.183 -0.688 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.652 9.468 -1.026 1.00 1.09 H new ATOM 0 HG23 THR A 95 -9.048 9.988 0.629 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.510 7.322 -0.210 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.716 6.159 -1.055 1.00 0.53 C ATOM 1044 C PHE A 96 -9.166 6.088 -1.456 1.00 0.62 C ATOM 1045 O PHE A 96 -10.026 5.750 -0.640 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.322 4.863 -0.338 1.00 0.69 C ATOM 1047 CG PHE A 96 -5.846 4.590 -0.321 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.109 4.608 -1.494 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.204 4.293 0.866 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -3.756 4.335 -1.479 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -3.851 4.022 0.888 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.127 4.042 -0.286 1.00 1.03 C ATOM 0 H PHE A 96 -8.121 7.363 0.606 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.082 6.262 -1.936 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -7.683 4.906 0.689 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -7.829 4.027 -0.820 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.598 4.838 -2.429 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -5.768 4.273 1.787 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.191 4.351 -2.399 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -3.360 3.795 1.823 1.00 1.18 H new ATOM 0 HZ PHE A 96 -2.068 3.828 -0.272 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.449 6.443 -2.695 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.802 6.349 -3.184 1.00 0.88 C ATOM 1064 C ASP A 97 -11.062 4.946 -3.714 1.00 0.95 C ATOM 1065 O ASP A 97 -11.858 4.213 -3.139 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.113 7.428 -4.244 1.00 1.17 C ATOM 1067 CG ASP A 97 -10.309 7.306 -5.525 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.793 6.658 -6.473 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -9.180 7.844 -5.582 1.00 2.57 O ATOM 0 H ASP A 97 -8.768 6.794 -3.369 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.480 6.538 -2.352 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -12.174 7.381 -4.491 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.930 8.410 -3.808 1.00 1.17 H new ATOM 1074 N TYR A 98 -10.342 4.550 -4.761 1.00 1.21 N ATOM 1075 CA TYR A 98 -10.632 3.307 -5.459 1.00 1.30 C ATOM 1076 C TYR A 98 -12.130 3.233 -5.726 1.00 1.26 C ATOM 1077 O TYR A 98 -12.808 2.299 -5.293 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.153 2.092 -4.655 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.355 0.768 -5.364 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -11.180 -0.207 -4.822 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -9.734 0.499 -6.578 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -11.381 -1.411 -5.463 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -9.931 -0.706 -7.226 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.757 -1.656 -6.662 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.968 -2.853 -7.302 1.00 3.21 O ATOM 0 H TYR A 98 -9.554 5.074 -5.142 1.00 1.21 H new ATOM 0 HA TYR A 98 -10.093 3.291 -6.406 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.094 2.214 -4.428 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -10.682 2.067 -3.702 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -11.674 -0.019 -3.880 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -9.088 1.242 -7.022 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -12.026 -2.158 -5.024 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -9.441 -0.903 -8.168 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.662 -2.786 -8.231 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.642 4.278 -6.387 1.00 1.11 N ATOM 1096 CA GLN A 99 -14.061 4.395 -6.749 1.00 1.70 C ATOM 1097 C GLN A 99 -14.898 4.873 -5.552 1.00 1.80 C ATOM 1098 O GLN A 99 -15.930 5.526 -5.724 1.00 2.28 O ATOM 1099 CB GLN A 99 -14.604 3.067 -7.287 1.00 2.11 C ATOM 1100 CG GLN A 99 -13.707 2.416 -8.332 1.00 2.28 C ATOM 1101 CD GLN A 99 -14.072 0.966 -8.555 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -14.885 0.642 -9.423 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -13.492 0.086 -7.751 1.00 2.81 N ATOM 0 H GLN A 99 -12.079 5.073 -6.689 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.140 5.141 -7.540 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -14.738 2.376 -6.455 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -15.589 3.237 -7.722 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -13.789 2.961 -9.272 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -12.667 2.485 -8.013 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -12.825 0.401 -7.047 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -13.713 -0.906 -7.837 1.00 2.81 H new ATOM 1112 N MET A 100 -14.436 4.552 -4.345 1.00 1.50 N ATOM 1113 CA MET A 100 -15.081 4.995 -3.107 1.00 1.55 C ATOM 1114 C MET A 100 -14.939 6.502 -2.950 1.00 1.40 C ATOM 1115 O MET A 100 -14.132 7.130 -3.640 1.00 1.30 O ATOM 1116 CB MET A 100 -14.447 4.275 -1.904 1.00 1.54 C ATOM 1117 CG MET A 100 -15.190 4.461 -0.590 1.00 1.64 C ATOM 1118 SD MET A 100 -14.609 3.345 0.702 1.00 2.37 S ATOM 1119 CE MET A 100 -12.853 3.705 0.697 1.00 2.85 C ATOM 0 H MET A 100 -13.606 3.979 -4.196 1.00 1.50 H new ATOM 0 HA MET A 100 -16.142 4.748 -3.152 1.00 1.55 H new ATOM 0 HB2 MET A 100 -14.388 3.209 -2.125 1.00 1.54 H new ATOM 0 HB3 MET A 100 -13.424 4.632 -1.782 1.00 1.54 H new ATOM 0 HG2 MET A 100 -15.073 5.491 -0.254 1.00 1.64 H new ATOM 0 HG3 MET A 100 -16.255 4.298 -0.753 1.00 1.64 H new ATOM 0 HE1 MET A 100 -12.472 3.672 1.718 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.332 2.965 0.091 1.00 2.85 H new ATOM 0 HE3 MET A 100 -12.686 4.698 0.280 1.00 2.85 H new ATOM 1129 N THR A 101 -15.748 7.088 -2.076 1.00 1.46 N ATOM 1130 CA THR A 101 -15.559 8.471 -1.697 1.00 1.40 C ATOM 1131 C THR A 101 -14.124 8.639 -1.178 1.00 1.14 C ATOM 1132 O THR A 101 -13.539 7.677 -0.673 1.00 1.13 O ATOM 1133 CB THR A 101 -16.462 8.846 -0.781 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.414 10.262 -0.547 1.00 2.12 O ATOM 1135 CG2 THR A 101 -16.283 8.105 0.538 1.00 2.05 C ATOM 0 H THR A 101 -16.535 6.625 -1.622 1.00 1.46 H new ATOM 0 HA THR A 101 -15.707 9.117 -2.563 1.00 1.40 H new ATOM 0 HB THR A 101 -17.438 8.586 -1.189 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.085 10.506 0.124 1.00 2.12 H new ATOM 0 HG21 THR A 101 -17.037 8.442 1.250 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.394 7.034 0.371 1.00 2.05 H new ATOM 0 HG23 THR A 101 -15.290 8.309 0.938 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.490 9.804 -1.399 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.115 10.046 -0.954 1.00 1.00 C ATOM 1145 C PRO A 102 -11.949 9.972 0.565 1.00 0.92 C ATOM 1146 O PRO A 102 -11.786 10.995 1.237 1.00 1.15 O ATOM 1147 CB PRO A 102 -11.811 11.461 -1.466 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.143 12.076 -1.712 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.037 10.953 -2.135 1.00 1.44 C ATOM 0 HA PRO A 102 -11.436 9.284 -1.337 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -11.242 12.032 -0.733 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -11.216 11.431 -2.378 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -13.522 12.561 -0.812 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.084 12.842 -2.486 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.077 11.143 -1.872 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.005 10.795 -3.213 1.00 1.44 H new ATOM 1157 N THR A 103 -12.022 8.761 1.106 1.00 0.73 N ATOM 1158 CA THR A 103 -11.714 8.540 2.507 1.00 0.70 C ATOM 1159 C THR A 103 -10.212 8.619 2.751 1.00 0.58 C ATOM 1160 O THR A 103 -9.415 8.283 1.872 1.00 0.54 O ATOM 1161 CB THR A 103 -12.169 7.382 2.931 1.00 0.81 C ATOM 1162 OG1 THR A 103 -11.899 6.367 1.952 1.00 1.34 O ATOM 1163 CG2 THR A 103 -13.660 7.451 3.220 1.00 1.40 C ATOM 0 H THR A 103 -12.292 7.921 0.594 1.00 0.73 H new ATOM 0 HA THR A 103 -12.212 9.329 3.070 1.00 0.70 H new ATOM 0 HB THR A 103 -11.659 7.131 3.861 1.00 0.81 H new ATOM 0 HG1 THR A 103 -11.471 5.599 2.386 1.00 1.34 H new ATOM 0 HG21 THR A 103 -14.008 6.479 3.569 1.00 1.40 H new ATOM 0 HG22 THR A 103 -13.847 8.201 3.989 1.00 1.40 H new ATOM 0 HG23 THR A 103 -14.195 7.723 2.310 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.829 9.103 3.920 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.425 9.349 4.217 1.00 0.59 C ATOM 1173 C LYS A 104 -7.865 8.283 5.144 1.00 0.58 C ATOM 1174 O LYS A 104 -8.569 7.753 6.003 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.258 10.729 4.849 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.779 11.862 3.979 1.00 1.45 C ATOM 1177 CD LYS A 104 -8.561 13.212 4.634 1.00 1.90 C ATOM 1178 CE LYS A 104 -7.083 13.511 4.816 1.00 2.46 C ATOM 1179 NZ LYS A 104 -6.367 13.594 3.514 1.00 3.08 N ATOM 0 H LYS A 104 -10.469 9.334 4.680 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.869 9.311 3.280 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.780 10.747 5.806 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -7.202 10.899 5.058 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -8.276 11.840 3.012 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -9.842 11.716 3.789 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -9.018 13.991 4.024 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -9.059 13.232 5.603 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -6.967 14.452 5.354 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -6.629 12.734 5.431 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -5.432 14.026 3.659 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -6.249 12.638 3.121 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -6.918 14.175 2.851 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.593 7.976 4.957 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.910 6.991 5.765 1.00 0.47 C ATOM 1195 C VAL A 105 -4.473 7.450 6.017 1.00 0.40 C ATOM 1196 O VAL A 105 -3.963 8.325 5.318 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.940 5.796 5.168 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -5.059 5.769 3.925 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.586 4.658 6.109 1.00 0.94 C ATOM 0 H VAL A 105 -6.008 8.405 4.240 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.417 6.892 6.725 1.00 0.47 H new ATOM 0 HB VAL A 105 -6.973 5.638 4.857 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -5.108 4.782 3.466 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -5.409 6.518 3.214 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -4.029 5.988 4.205 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.627 3.713 5.568 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -4.580 4.809 6.500 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -6.297 4.635 6.935 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.853 6.926 7.050 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.456 7.202 7.307 1.00 0.42 C ATOM 1211 C LYS A 106 -1.675 5.921 7.104 1.00 0.40 C ATOM 1212 O LYS A 106 -2.064 4.867 7.610 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.259 7.752 8.721 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.840 8.226 8.995 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.738 8.938 10.335 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.595 10.195 10.363 1.00 1.56 C ATOM 1217 NZ LYS A 106 -1.544 10.878 11.682 1.00 1.69 N ATOM 0 H LYS A 106 -4.295 6.305 7.728 1.00 0.43 H new ATOM 0 HA LYS A 106 -2.095 7.965 6.617 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.948 8.582 8.879 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.521 6.979 9.443 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -0.162 7.373 8.983 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.520 8.899 8.199 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.052 8.264 11.132 1.00 0.83 H new ATOM 0 HD3 LYS A 106 0.302 9.200 10.531 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.256 10.881 9.587 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -2.627 9.934 10.130 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -2.142 11.729 11.656 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -1.891 10.233 12.420 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -0.563 11.151 11.894 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.595 5.998 6.353 1.00 0.37 N ATOM 1232 CA VAL A 107 0.119 4.812 5.966 1.00 0.42 C ATOM 1233 C VAL A 107 1.560 4.862 6.458 1.00 0.40 C ATOM 1234 O VAL A 107 2.192 5.922 6.494 1.00 0.54 O ATOM 1235 CB VAL A 107 0.054 4.630 4.647 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.691 5.785 3.886 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.664 3.311 4.226 1.00 1.27 C ATOM 0 H VAL A 107 -0.198 6.870 6.002 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.358 3.953 6.439 1.00 0.42 H new ATOM 0 HB VAL A 107 -1.005 4.602 4.390 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.618 5.599 2.814 1.00 1.26 H new ATOM 0 HG12 VAL A 107 0.172 6.712 4.130 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.740 5.872 4.168 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.589 3.204 3.144 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.713 3.284 4.522 1.00 1.27 H new ATOM 0 HG23 VAL A 107 0.130 2.493 4.709 1.00 1.27 H new ATOM 1247 N HIS A 108 2.034 3.730 6.930 1.00 0.34 N ATOM 1248 CA HIS A 108 3.389 3.608 7.410 1.00 0.34 C ATOM 1249 C HIS A 108 4.092 2.526 6.607 1.00 0.32 C ATOM 1250 O HIS A 108 3.842 1.339 6.801 1.00 0.44 O ATOM 1251 CB HIS A 108 3.383 3.268 8.908 1.00 0.45 C ATOM 1252 CG HIS A 108 4.736 3.277 9.555 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.990 2.669 10.765 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.904 3.840 9.169 1.00 0.54 C ATOM 1255 CE1 HIS A 108 6.254 2.856 11.093 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.830 3.562 10.142 1.00 0.68 N ATOM 0 H HIS A 108 1.490 2.870 6.991 1.00 0.34 H new ATOM 0 HA HIS A 108 3.922 4.550 7.283 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.742 3.981 9.427 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.937 2.282 9.042 1.00 0.45 H new ATOM 0 HD2 HIS A 108 6.075 4.403 8.264 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.735 2.492 11.989 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.807 3.855 10.131 1.00 0.68 H new ATOM 1265 N MET A 109 4.946 2.941 5.690 1.00 0.30 N ATOM 1266 CA MET A 109 5.668 1.999 4.845 1.00 0.39 C ATOM 1267 C MET A 109 7.098 1.858 5.341 1.00 0.34 C ATOM 1268 O MET A 109 7.684 2.824 5.827 1.00 0.45 O ATOM 1269 CB MET A 109 5.619 2.442 3.367 1.00 0.65 C ATOM 1270 CG MET A 109 6.373 3.728 3.042 1.00 0.87 C ATOM 1271 SD MET A 109 8.152 3.484 2.860 1.00 2.22 S ATOM 1272 CE MET A 109 8.208 2.396 1.438 1.00 2.49 C ATOM 0 H MET A 109 5.159 3.922 5.509 1.00 0.30 H new ATOM 0 HA MET A 109 5.188 1.022 4.904 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.024 1.639 2.751 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.576 2.570 3.079 1.00 0.65 H new ATOM 0 HG2 MET A 109 5.975 4.152 2.120 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.192 4.457 3.832 1.00 0.87 H new ATOM 0 HE1 MET A 109 9.163 2.516 0.926 1.00 2.49 H new ATOM 0 HE2 MET A 109 8.100 1.362 1.766 1.00 2.49 H new ATOM 0 HE3 MET A 109 7.396 2.647 0.756 1.00 2.49 H new ATOM 1282 N LYS A 110 7.641 0.646 5.256 1.00 0.32 N ATOM 1283 CA LYS A 110 8.965 0.351 5.796 1.00 0.35 C ATOM 1284 C LYS A 110 9.620 -0.742 4.975 1.00 0.32 C ATOM 1285 O LYS A 110 8.940 -1.634 4.491 1.00 0.45 O ATOM 1286 CB LYS A 110 8.873 -0.144 7.247 1.00 0.50 C ATOM 1287 CG LYS A 110 8.279 0.846 8.236 1.00 0.97 C ATOM 1288 CD LYS A 110 8.266 0.269 9.642 1.00 0.91 C ATOM 1289 CE LYS A 110 9.671 -0.062 10.123 1.00 1.31 C ATOM 1290 NZ LYS A 110 9.660 -0.764 11.434 1.00 1.57 N ATOM 0 H LYS A 110 7.181 -0.151 4.816 1.00 0.32 H new ATOM 0 HA LYS A 110 9.549 1.270 5.760 1.00 0.35 H new ATOM 0 HB2 LYS A 110 8.274 -1.054 7.265 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.873 -0.414 7.585 1.00 0.50 H new ATOM 0 HG2 LYS A 110 8.857 1.770 8.223 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.263 1.102 7.935 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.805 0.983 10.325 1.00 0.91 H new ATOM 0 HD3 LYS A 110 7.652 -0.632 9.661 1.00 0.91 H new ATOM 0 HE2 LYS A 110 10.170 -0.686 9.382 1.00 1.31 H new ATOM 0 HE3 LYS A 110 10.251 0.857 10.209 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 10.637 -0.971 11.725 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.207 -0.159 12.148 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 9.129 -1.654 11.347 1.00 1.57 H new ATOM 1304 N LYS A 111 10.930 -0.692 4.827 1.00 0.37 N ATOM 1305 CA LYS A 111 11.639 -1.776 4.182 1.00 0.38 C ATOM 1306 C LYS A 111 11.732 -2.958 5.139 1.00 0.43 C ATOM 1307 O LYS A 111 11.816 -2.775 6.354 1.00 0.60 O ATOM 1308 CB LYS A 111 13.047 -1.344 3.773 1.00 0.49 C ATOM 1309 CG LYS A 111 13.799 -2.419 3.012 1.00 0.56 C ATOM 1310 CD LYS A 111 15.296 -2.187 3.041 1.00 1.03 C ATOM 1311 CE LYS A 111 16.028 -3.272 2.277 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.879 -4.609 2.917 1.00 2.13 N ATOM 0 H LYS A 111 11.518 0.080 5.141 1.00 0.37 H new ATOM 0 HA LYS A 111 11.091 -2.061 3.284 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.981 -0.448 3.156 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.612 -1.075 4.665 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.574 -3.394 3.443 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.455 -2.441 1.978 1.00 0.56 H new ATOM 0 HD2 LYS A 111 15.525 -1.214 2.607 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.645 -2.166 4.074 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.648 -3.315 1.256 1.00 1.49 H new ATOM 0 HE3 LYS A 111 17.086 -3.018 2.212 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.353 -5.328 2.334 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.311 -4.591 3.863 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 14.869 -4.843 3.002 1.00 2.13 H new ATOM 1326 N ALA A 112 11.691 -4.161 4.594 1.00 0.44 N ATOM 1327 CA ALA A 112 11.885 -5.360 5.383 1.00 0.59 C ATOM 1328 C ALA A 112 12.828 -6.309 4.666 1.00 0.92 C ATOM 1329 O ALA A 112 13.594 -5.898 3.789 1.00 1.57 O ATOM 1330 CB ALA A 112 10.552 -6.033 5.656 1.00 0.96 C ATOM 0 H ALA A 112 11.524 -4.332 3.602 1.00 0.44 H new ATOM 0 HA ALA A 112 12.331 -5.085 6.339 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.713 -6.933 6.250 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.904 -5.348 6.203 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.080 -6.302 4.711 1.00 0.96 H new ATOM 1336 N LEU A 113 12.763 -7.573 5.036 1.00 1.01 N ATOM 1337 CA LEU A 113 13.606 -8.592 4.444 1.00 1.49 C ATOM 1338 C LEU A 113 12.755 -9.813 4.109 1.00 1.26 C ATOM 1339 O LEU A 113 11.526 -9.716 4.099 1.00 2.05 O ATOM 1340 CB LEU A 113 14.776 -8.964 5.374 1.00 2.52 C ATOM 1341 CG LEU A 113 14.411 -9.475 6.774 1.00 3.38 C ATOM 1342 CD1 LEU A 113 15.569 -10.272 7.354 1.00 3.91 C ATOM 1343 CD2 LEU A 113 14.070 -8.321 7.709 1.00 4.41 C ATOM 0 H LEU A 113 12.127 -7.921 5.753 1.00 1.01 H new ATOM 0 HA LEU A 113 14.046 -8.200 3.527 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.374 -9.729 4.878 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.412 -8.086 5.488 1.00 2.52 H new ATOM 0 HG LEU A 113 13.534 -10.115 6.681 1.00 3.38 H new ATOM 0 HD11 LEU A 113 15.302 -10.631 8.348 1.00 3.91 H new ATOM 0 HD12 LEU A 113 15.786 -11.122 6.707 1.00 3.91 H new ATOM 0 HD13 LEU A 113 16.451 -9.635 7.423 1.00 3.91 H new ATOM 0 HD21 LEU A 113 13.815 -8.713 8.694 1.00 4.41 H new ATOM 0 HD22 LEU A 113 14.929 -7.656 7.795 1.00 4.41 H new ATOM 0 HD23 LEU A 113 13.221 -7.767 7.309 1.00 4.41 H new ATOM 1355 N SER A 114 13.404 -10.941 3.827 1.00 1.21 N ATOM 1356 CA SER A 114 12.710 -12.161 3.418 1.00 1.56 C ATOM 1357 C SER A 114 12.078 -11.941 2.044 1.00 1.72 C ATOM 1358 O SER A 114 10.855 -11.904 1.900 1.00 2.36 O ATOM 1359 CB SER A 114 11.641 -12.569 4.447 1.00 2.13 C ATOM 1360 OG SER A 114 12.170 -12.603 5.767 1.00 2.55 O ATOM 0 H SER A 114 14.418 -11.035 3.875 1.00 1.21 H new ATOM 0 HA SER A 114 13.433 -12.975 3.362 1.00 1.56 H new ATOM 0 HB2 SER A 114 10.809 -11.866 4.406 1.00 2.13 H new ATOM 0 HB3 SER A 114 11.243 -13.550 4.189 1.00 2.13 H new ATOM 0 HG SER A 114 11.465 -12.864 6.395 1.00 2.55 H new ATOM 1366 N GLY A 115 12.930 -11.753 1.041 1.00 1.73 N ATOM 1367 CA GLY A 115 12.460 -11.426 -0.291 1.00 2.05 C ATOM 1368 C GLY A 115 12.651 -9.955 -0.597 1.00 1.87 C ATOM 1369 O GLY A 115 12.443 -9.517 -1.729 1.00 2.62 O ATOM 0 H GLY A 115 13.944 -11.822 1.129 1.00 1.73 H new ATOM 0 HA2 GLY A 115 12.998 -12.025 -1.026 1.00 2.05 H new ATOM 0 HA3 GLY A 115 11.405 -11.684 -0.380 1.00 2.05 H new ATOM 1373 N ASP A 116 13.058 -9.211 0.431 1.00 1.38 N ATOM 1374 CA ASP A 116 13.305 -7.768 0.340 1.00 1.29 C ATOM 1375 C ASP A 116 12.143 -7.011 -0.297 1.00 1.01 C ATOM 1376 O ASP A 116 12.165 -6.678 -1.482 1.00 1.32 O ATOM 1377 CB ASP A 116 14.611 -7.466 -0.404 1.00 1.58 C ATOM 1378 CG ASP A 116 15.836 -7.625 0.477 1.00 2.09 C ATOM 1379 OD1 ASP A 116 16.538 -8.653 0.355 1.00 2.76 O ATOM 1380 OD2 ASP A 116 16.104 -6.724 1.299 1.00 2.42 O ATOM 0 H ASP A 116 13.228 -9.595 1.361 1.00 1.38 H new ATOM 0 HA ASP A 116 13.400 -7.413 1.366 1.00 1.29 H new ATOM 0 HB2 ASP A 116 14.697 -8.131 -1.263 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.577 -6.448 -0.792 1.00 1.58 H new ATOM 1385 N SER A 117 11.121 -6.753 0.499 1.00 0.60 N ATOM 1386 CA SER A 117 9.999 -5.939 0.086 1.00 0.36 C ATOM 1387 C SER A 117 9.605 -5.049 1.268 1.00 0.34 C ATOM 1388 O SER A 117 10.184 -5.174 2.348 1.00 0.54 O ATOM 1389 CB SER A 117 8.833 -6.828 -0.383 1.00 0.35 C ATOM 1390 OG SER A 117 9.321 -8.006 -1.012 1.00 1.07 O ATOM 0 H SER A 117 11.048 -7.105 1.454 1.00 0.60 H new ATOM 0 HA SER A 117 10.268 -5.309 -0.762 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.208 -7.097 0.469 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.203 -6.273 -1.078 1.00 0.35 H new ATOM 0 HG SER A 117 8.566 -8.559 -1.302 1.00 1.07 H new ATOM 1396 N TYR A 118 8.644 -4.162 1.082 1.00 0.22 N ATOM 1397 CA TYR A 118 8.306 -3.184 2.085 1.00 0.24 C ATOM 1398 C TYR A 118 7.019 -3.570 2.774 1.00 0.24 C ATOM 1399 O TYR A 118 6.124 -4.157 2.166 1.00 0.26 O ATOM 1400 CB TYR A 118 8.152 -1.807 1.442 1.00 0.30 C ATOM 1401 CG TYR A 118 9.404 -1.351 0.747 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.671 -1.735 -0.555 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.327 -0.558 1.406 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.832 -1.340 -1.188 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.491 -0.152 0.783 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.739 -0.548 -0.513 1.00 0.67 C ATOM 1407 OH TYR A 118 12.895 -0.151 -1.139 1.00 0.86 O ATOM 0 H TYR A 118 8.081 -4.104 0.233 1.00 0.22 H new ATOM 0 HA TYR A 118 9.108 -3.147 2.822 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.332 -1.835 0.724 1.00 0.30 H new ATOM 0 HB3 TYR A 118 7.881 -1.081 2.208 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.960 -2.353 -1.084 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.134 -0.252 2.424 1.00 0.57 H new ATOM 0 HE1 TYR A 118 11.029 -1.648 -2.204 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.201 0.471 1.307 1.00 0.72 H new ATOM 0 HH TYR A 118 13.036 -0.695 -1.942 1.00 0.86 H new ATOM 1417 N TRP A 119 6.931 -3.230 4.033 1.00 0.27 N ATOM 1418 CA TRP A 119 5.730 -3.447 4.789 1.00 0.30 C ATOM 1419 C TRP A 119 4.995 -2.136 4.936 1.00 0.33 C ATOM 1420 O TRP A 119 5.383 -1.261 5.710 1.00 0.38 O ATOM 1421 CB TRP A 119 6.064 -4.044 6.148 1.00 0.36 C ATOM 1422 CG TRP A 119 6.184 -5.535 6.107 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.326 -6.261 5.963 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.113 -6.480 6.193 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.035 -7.602 5.959 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.681 -7.763 6.098 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.727 -6.366 6.338 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.913 -8.921 6.149 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.966 -7.516 6.391 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.557 -8.778 6.294 1.00 0.62 C ATOM 0 H TRP A 119 7.689 -2.796 4.560 1.00 0.27 H new ATOM 0 HA TRP A 119 5.087 -4.155 4.265 1.00 0.30 H new ATOM 0 HB2 TRP A 119 7.000 -3.617 6.508 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.291 -3.765 6.864 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.317 -5.843 5.866 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.716 -8.356 5.867 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.260 -5.395 6.407 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.368 -9.898 6.077 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.895 -7.439 6.509 1.00 0.63 H new ATOM 0 HH2 TRP A 119 2.933 -9.659 6.334 1.00 0.62 H new ATOM 1441 N VAL A 120 3.952 -2.001 4.145 1.00 0.33 N ATOM 1442 CA VAL A 120 3.157 -0.795 4.116 1.00 0.37 C ATOM 1443 C VAL A 120 1.831 -0.994 4.878 1.00 0.40 C ATOM 1444 O VAL A 120 0.891 -1.635 4.408 1.00 0.55 O ATOM 1445 CB VAL A 120 2.980 -0.410 2.845 1.00 0.40 C ATOM 1446 CG1 VAL A 120 2.369 -1.510 1.982 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.172 0.868 2.748 1.00 0.91 C ATOM 0 H VAL A 120 3.632 -2.726 3.503 1.00 0.33 H new ATOM 0 HA VAL A 120 3.682 0.009 4.632 1.00 0.37 H new ATOM 0 HB VAL A 120 3.975 -0.206 2.449 1.00 0.40 H new ATOM 0 HG11 VAL A 120 2.247 -1.146 0.962 1.00 0.90 H new ATOM 0 HG12 VAL A 120 3.027 -2.379 1.981 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.397 -1.791 2.386 1.00 0.90 H new ATOM 0 HG21 VAL A 120 2.052 1.144 1.700 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.191 0.713 3.197 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.691 1.667 3.277 1.00 0.91 H new ATOM 1457 N PHE A 121 1.771 -0.424 6.077 1.00 0.39 N ATOM 1458 CA PHE A 121 0.626 -0.615 6.962 1.00 0.41 C ATOM 1459 C PHE A 121 -0.269 0.612 6.935 1.00 0.41 C ATOM 1460 O PHE A 121 0.220 1.738 6.960 1.00 0.49 O ATOM 1461 CB PHE A 121 1.081 -0.828 8.410 1.00 0.48 C ATOM 1462 CG PHE A 121 2.278 -1.718 8.583 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.517 -1.190 8.898 1.00 0.56 C ATOM 1464 CD2 PHE A 121 2.162 -3.087 8.403 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.619 -2.013 9.034 1.00 0.65 C ATOM 1466 CE2 PHE A 121 3.259 -3.914 8.539 1.00 0.79 C ATOM 1467 CZ PHE A 121 4.495 -3.350 8.952 1.00 0.73 C ATOM 0 H PHE A 121 2.503 0.175 6.459 1.00 0.39 H new ATOM 0 HA PHE A 121 0.085 -1.493 6.610 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.305 0.144 8.850 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.250 -1.250 8.976 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.624 -0.125 9.039 1.00 0.56 H new ATOM 0 HD2 PHE A 121 1.201 -3.512 8.153 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.592 -1.577 9.208 1.00 0.65 H new ATOM 0 HE2 PHE A 121 3.179 -4.971 8.335 1.00 0.79 H new ATOM 0 HZ PHE A 121 5.329 -3.990 9.198 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.576 0.400 6.898 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.517 1.513 6.914 1.00 0.51 C ATOM 1479 C VAL A 122 -3.337 1.547 8.202 1.00 0.54 C ATOM 1480 O VAL A 122 -3.486 0.530 8.888 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.343 1.502 5.874 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -2.580 1.753 4.581 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -4.132 0.201 5.790 1.00 1.16 C ATOM 0 H VAL A 122 -2.008 -0.523 6.857 1.00 0.42 H new ATOM 0 HA VAL A 122 -1.902 2.411 6.855 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.061 2.309 6.018 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.274 1.740 3.741 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.089 2.725 4.631 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -1.830 0.974 4.444 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.796 0.233 4.926 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.442 -0.637 5.687 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.723 0.075 6.697 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.801 2.739 8.557 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.715 2.934 9.678 1.00 0.66 C ATOM 1495 C LYS A 123 -5.332 4.324 9.593 1.00 0.55 C ATOM 1496 O LYS A 123 -4.731 5.233 9.022 1.00 0.51 O ATOM 1497 CB LYS A 123 -4.008 2.740 11.023 1.00 0.93 C ATOM 1498 CG LYS A 123 -2.753 3.580 11.203 1.00 1.36 C ATOM 1499 CD LYS A 123 -2.243 3.508 12.634 1.00 1.80 C ATOM 1500 CE LYS A 123 -1.973 2.075 13.073 1.00 2.62 C ATOM 1501 NZ LYS A 123 -1.694 1.987 14.532 1.00 3.31 N ATOM 0 H LYS A 123 -3.553 3.602 8.074 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.502 2.182 9.616 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -4.707 2.978 11.824 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.745 1.688 11.132 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -1.978 3.232 10.520 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -2.966 4.617 10.942 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -1.327 4.093 12.722 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.975 3.960 13.303 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -2.834 1.452 12.829 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -1.124 1.678 12.516 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -1.515 0.996 14.792 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -0.858 2.561 14.761 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -2.514 2.342 15.064 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.526 4.493 10.143 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.256 5.743 9.978 1.00 0.76 C ATOM 1517 C ARG A 124 -6.648 6.868 10.810 1.00 0.85 C ATOM 1518 O ARG A 124 -6.896 6.965 12.012 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.730 5.581 10.343 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.585 6.736 9.851 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.991 6.697 10.428 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.866 7.675 9.779 1.00 2.55 N ATOM 1523 CZ ARG A 124 -11.953 8.959 10.130 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -11.239 9.428 11.147 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -12.768 9.772 9.465 1.00 4.03 N ATOM 0 H ARG A 124 -7.007 3.788 10.702 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.179 6.009 8.924 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.105 4.650 9.919 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.825 5.499 11.426 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.109 7.679 10.121 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.640 6.707 8.763 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.408 5.697 10.306 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -10.951 6.897 11.499 1.00 2.10 H new ATOM 0 HE ARG A 124 -12.449 7.353 9.006 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -10.619 8.805 11.665 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -11.310 10.411 11.410 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.324 9.413 8.689 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -12.837 10.754 9.731 1.00 4.03 H new ATOM 1539 N VAL A 125 -5.841 7.691 10.138 1.00 1.06 N ATOM 1540 CA VAL A 125 -5.281 8.926 10.691 1.00 1.33 C ATOM 1541 C VAL A 125 -4.688 8.717 12.088 1.00 2.00 C ATOM 1542 O VAL A 125 -3.515 8.300 12.177 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.190 9.892 10.728 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.543 11.232 11.065 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -6.951 9.985 9.412 1.00 2.08 C ATOM 1546 OXT VAL A 125 -5.385 8.972 13.093 1.00 2.26 O ATOM 0 H VAL A 125 -5.553 7.515 9.176 1.00 1.06 H new ATOM 0 HA VAL A 125 -4.473 9.225 10.023 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.904 9.644 11.514 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -6.307 12.009 11.090 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -5.059 11.168 12.040 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -4.800 11.478 10.307 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -7.688 10.785 9.474 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -6.253 10.197 8.602 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -7.457 9.040 9.217 1.00 2.08 H new