USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 799 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 40 SER OG : rot 150:sc= 0.876 USER MOD Set 1.2: A 42 ASN : amide:sc= 0.808 X(o=1.7,f=1.4) USER MOD Set 2.1: A 39 MET CE :methyl -123:sc= -3.83! (180deg=-8.8!) USER MOD Set 2.2: A 43 GLN : amide:sc= -0.0594 K(o=-3.9,f=-6!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -171:sc= 2.32 (180deg=1.14) USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= 0.949 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.15 (180deg=-0.011) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -48:sc= 1.1 USER MOD Single : A 8 SER OG : rot 87:sc= 1.3 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 94:sc= 0.54 USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -34:sc= 0.512 USER MOD Single : A 37 SER OG : rot 80:sc= 0.396 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 1.02 K(o=1,f=-6.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.074) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= 0.186 (180deg=0.00333) USER MOD Single : A 73 SER OG : rot 60:sc= 0.903 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 81 SER OG : rot -167:sc= 0.0111 USER MOD Single : A 83 THR OG1 : rot 139:sc= 0.113 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 150:sc= -0.948 (180deg=-1.36) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 106 MET CE :methyl -177:sc= 0 (180deg=-0.0183) USER MOD Single : A 108 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.62) USER MOD Single : A 109 SER OG : rot -43:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.129 6.822 2.016 1.00 4.33 N ATOM 2 CA MET A 1 -17.295 6.094 1.048 1.00 3.12 C ATOM 3 C MET A 1 -16.003 5.676 1.729 1.00 2.34 C ATOM 4 O MET A 1 -15.713 6.197 2.803 1.00 2.92 O ATOM 5 CB MET A 1 -16.998 6.953 -0.180 1.00 4.73 C ATOM 6 CG MET A 1 -18.235 7.399 -0.967 1.00 5.71 C ATOM 7 SD MET A 1 -19.476 6.110 -1.230 1.00 6.23 S ATOM 8 CE MET A 1 -20.630 6.995 -2.298 1.00 7.45 C ATOM 0 H1 MET A 1 -19.046 6.342 2.114 1.00 4.33 H new ATOM 0 H2 MET A 1 -17.650 6.845 2.939 1.00 4.33 H new ATOM 0 H3 MET A 1 -18.282 7.794 1.680 1.00 4.33 H new ATOM 0 HA MET A 1 -17.835 5.211 0.706 1.00 3.12 H new ATOM 0 HB2 MET A 1 -16.448 7.839 0.138 1.00 4.73 H new ATOM 0 HB3 MET A 1 -16.342 6.394 -0.847 1.00 4.73 H new ATOM 0 HG2 MET A 1 -18.702 8.231 -0.440 1.00 5.71 H new ATOM 0 HG3 MET A 1 -17.913 7.777 -1.938 1.00 5.71 H new ATOM 0 HE1 MET A 1 -21.462 6.340 -2.557 1.00 7.45 H new ATOM 0 HE2 MET A 1 -21.009 7.873 -1.775 1.00 7.45 H new ATOM 0 HE3 MET A 1 -20.117 7.307 -3.208 1.00 7.45 H new ATOM 20 N SER A 2 -15.271 4.738 1.125 1.00 1.49 N ATOM 21 CA SER A 2 -13.968 4.318 1.616 1.00 1.26 C ATOM 22 C SER A 2 -12.884 5.085 0.856 1.00 0.99 C ATOM 23 O SER A 2 -13.167 6.024 0.116 1.00 1.47 O ATOM 24 CB SER A 2 -13.843 2.796 1.471 1.00 2.12 C ATOM 25 OG SER A 2 -14.880 2.174 2.202 1.00 2.67 O ATOM 0 H SER A 2 -15.570 4.251 0.280 1.00 1.49 H new ATOM 0 HA SER A 2 -13.847 4.548 2.675 1.00 1.26 H new ATOM 0 HB2 SER A 2 -13.902 2.513 0.420 1.00 2.12 H new ATOM 0 HB3 SER A 2 -12.872 2.462 1.837 1.00 2.12 H new ATOM 0 HG SER A 2 -14.806 1.201 2.112 1.00 2.67 H new ATOM 31 N ILE A 3 -11.628 4.679 1.024 1.00 0.70 N ATOM 32 CA ILE A 3 -10.502 5.343 0.386 1.00 0.78 C ATOM 33 C ILE A 3 -10.667 5.332 -1.142 1.00 1.06 C ATOM 34 O ILE A 3 -10.310 6.289 -1.830 1.00 1.12 O ATOM 35 CB ILE A 3 -9.179 4.708 0.871 1.00 1.02 C ATOM 36 CG1 ILE A 3 -8.883 3.330 0.255 1.00 1.40 C ATOM 37 CG2 ILE A 3 -9.167 4.566 2.402 1.00 0.92 C ATOM 38 CD1 ILE A 3 -8.024 3.463 -1.005 1.00 1.82 C ATOM 0 H ILE A 3 -11.366 3.883 1.605 1.00 0.70 H new ATOM 0 HA ILE A 3 -10.471 6.393 0.676 1.00 0.78 H new ATOM 0 HB ILE A 3 -8.400 5.394 0.537 1.00 1.02 H new ATOM 0 HG12 ILE A 3 -8.369 2.705 0.985 1.00 1.40 H new ATOM 0 HG13 ILE A 3 -9.819 2.829 0.009 1.00 1.40 H new ATOM 0 HG21 ILE A 3 -8.226 4.117 2.718 1.00 0.92 H new ATOM 0 HG22 ILE A 3 -9.271 5.550 2.859 1.00 0.92 H new ATOM 0 HG23 ILE A 3 -9.996 3.931 2.715 1.00 0.92 H new ATOM 0 HD11 ILE A 3 -7.830 2.474 -1.419 1.00 1.82 H new ATOM 0 HD12 ILE A 3 -8.551 4.068 -1.742 1.00 1.82 H new ATOM 0 HD13 ILE A 3 -7.078 3.942 -0.752 1.00 1.82 H new ATOM 50 N THR A 4 -11.226 4.245 -1.681 1.00 1.36 N ATOM 51 CA THR A 4 -11.273 3.919 -3.083 1.00 1.95 C ATOM 52 C THR A 4 -12.509 4.600 -3.690 1.00 1.82 C ATOM 53 O THR A 4 -13.344 3.952 -4.313 1.00 2.12 O ATOM 54 CB THR A 4 -11.268 2.377 -3.162 1.00 2.77 C ATOM 55 OG1 THR A 4 -11.598 1.999 -4.458 1.00 2.96 O ATOM 56 CG2 THR A 4 -12.282 1.709 -2.217 1.00 3.09 C ATOM 0 H THR A 4 -11.681 3.537 -1.105 1.00 1.36 H new ATOM 0 HA THR A 4 -10.425 4.282 -3.664 1.00 1.95 H new ATOM 0 HB THR A 4 -10.270 2.053 -2.866 1.00 2.77 H new ATOM 0 HG1 THR A 4 -12.397 2.487 -4.748 1.00 2.96 H new ATOM 0 HG21 THR A 4 -12.223 0.626 -2.326 1.00 3.09 H new ATOM 0 HG22 THR A 4 -12.054 1.983 -1.187 1.00 3.09 H new ATOM 0 HG23 THR A 4 -13.288 2.044 -2.468 1.00 3.09 H new ATOM 64 N ASP A 5 -12.618 5.912 -3.483 1.00 2.12 N ATOM 65 CA ASP A 5 -13.801 6.707 -3.801 1.00 2.05 C ATOM 66 C ASP A 5 -13.457 8.167 -3.534 1.00 2.08 C ATOM 67 O ASP A 5 -13.578 9.022 -4.405 1.00 3.53 O ATOM 68 CB ASP A 5 -14.956 6.352 -2.855 1.00 2.07 C ATOM 69 CG ASP A 5 -15.849 5.193 -3.270 1.00 3.43 C ATOM 70 OD1 ASP A 5 -16.424 5.284 -4.374 1.00 4.18 O ATOM 71 OD2 ASP A 5 -16.013 4.297 -2.409 1.00 4.55 O ATOM 0 H ASP A 5 -11.863 6.466 -3.078 1.00 2.12 H new ATOM 0 HA ASP A 5 -14.091 6.520 -4.835 1.00 2.05 H new ATOM 0 HB2 ASP A 5 -14.535 6.123 -1.876 1.00 2.07 H new ATOM 0 HB3 ASP A 5 -15.581 7.237 -2.735 1.00 2.07 H new ATOM 76 N VAL A 6 -13.036 8.425 -2.289 1.00 0.73 N ATOM 77 CA VAL A 6 -12.723 9.742 -1.743 1.00 0.54 C ATOM 78 C VAL A 6 -11.841 10.539 -2.708 1.00 0.43 C ATOM 79 O VAL A 6 -12.026 11.740 -2.885 1.00 0.44 O ATOM 80 CB VAL A 6 -12.068 9.538 -0.361 1.00 0.59 C ATOM 81 CG1 VAL A 6 -11.282 10.755 0.143 1.00 1.41 C ATOM 82 CG2 VAL A 6 -13.145 9.199 0.678 1.00 1.59 C ATOM 0 H VAL A 6 -12.899 7.680 -1.605 1.00 0.73 H new ATOM 0 HA VAL A 6 -13.629 10.335 -1.618 1.00 0.54 H new ATOM 0 HB VAL A 6 -11.357 8.722 -0.488 1.00 0.59 H new ATOM 0 HG11 VAL A 6 -10.853 10.532 1.120 1.00 1.41 H new ATOM 0 HG12 VAL A 6 -10.482 10.988 -0.560 1.00 1.41 H new ATOM 0 HG13 VAL A 6 -11.952 11.611 0.228 1.00 1.41 H new ATOM 0 HG21 VAL A 6 -12.678 9.056 1.652 1.00 1.59 H new ATOM 0 HG22 VAL A 6 -13.864 10.016 0.737 1.00 1.59 H new ATOM 0 HG23 VAL A 6 -13.659 8.284 0.384 1.00 1.59 H new ATOM 92 N LEU A 7 -10.878 9.849 -3.314 1.00 0.45 N ATOM 93 CA LEU A 7 -9.983 10.367 -4.337 1.00 0.47 C ATOM 94 C LEU A 7 -9.344 9.148 -4.985 1.00 0.49 C ATOM 95 O LEU A 7 -9.478 8.924 -6.187 1.00 0.50 O ATOM 96 CB LEU A 7 -8.960 11.311 -3.684 1.00 0.51 C ATOM 97 CG LEU A 7 -7.655 11.558 -4.470 1.00 0.63 C ATOM 98 CD1 LEU A 7 -7.877 11.972 -5.930 1.00 1.31 C ATOM 99 CD2 LEU A 7 -6.804 12.636 -3.778 1.00 1.51 C ATOM 0 H LEU A 7 -10.695 8.870 -3.093 1.00 0.45 H new ATOM 0 HA LEU A 7 -10.493 10.957 -5.099 1.00 0.47 H new ATOM 0 HB2 LEU A 7 -9.443 12.273 -3.513 1.00 0.51 H new ATOM 0 HB3 LEU A 7 -8.699 10.907 -2.706 1.00 0.51 H new ATOM 0 HG LEU A 7 -7.138 10.598 -4.479 1.00 0.63 H new ATOM 0 HD11 LEU A 7 -6.913 12.127 -6.415 1.00 1.31 H new ATOM 0 HD12 LEU A 7 -8.423 11.186 -6.452 1.00 1.31 H new ATOM 0 HD13 LEU A 7 -8.452 12.897 -5.962 1.00 1.31 H new ATOM 0 HD21 LEU A 7 -5.888 12.797 -4.346 1.00 1.51 H new ATOM 0 HD22 LEU A 7 -7.368 13.568 -3.727 1.00 1.51 H new ATOM 0 HD23 LEU A 7 -6.552 12.309 -2.769 1.00 1.51 H new ATOM 111 N SER A 8 -8.729 8.316 -4.140 1.00 0.53 N ATOM 112 CA SER A 8 -7.852 7.237 -4.534 1.00 0.60 C ATOM 113 C SER A 8 -8.423 6.271 -5.575 1.00 0.56 C ATOM 114 O SER A 8 -7.641 5.537 -6.156 1.00 0.50 O ATOM 115 CB SER A 8 -7.325 6.506 -3.295 1.00 0.78 C ATOM 116 OG SER A 8 -7.718 7.169 -2.101 1.00 0.81 O ATOM 0 H SER A 8 -8.840 8.387 -3.129 1.00 0.53 H new ATOM 0 HA SER A 8 -7.021 7.709 -5.058 1.00 0.60 H new ATOM 0 HB2 SER A 8 -7.700 5.483 -3.286 1.00 0.78 H new ATOM 0 HB3 SER A 8 -6.238 6.446 -3.340 1.00 0.78 H new ATOM 0 HG SER A 8 -8.604 6.851 -1.827 1.00 0.81 H new ATOM 122 N ALA A 9 -9.735 6.243 -5.831 1.00 0.63 N ATOM 123 CA ALA A 9 -10.297 5.532 -6.977 1.00 0.70 C ATOM 124 C ALA A 9 -9.580 5.915 -8.279 1.00 0.70 C ATOM 125 O ALA A 9 -9.170 5.050 -9.055 1.00 0.77 O ATOM 126 CB ALA A 9 -11.791 5.845 -7.105 1.00 0.81 C ATOM 0 H ALA A 9 -10.432 6.711 -5.251 1.00 0.63 H new ATOM 0 HA ALA A 9 -10.157 4.464 -6.810 1.00 0.70 H new ATOM 0 HB1 ALA A 9 -12.202 5.311 -7.962 1.00 0.81 H new ATOM 0 HB2 ALA A 9 -12.308 5.530 -6.199 1.00 0.81 H new ATOM 0 HB3 ALA A 9 -11.927 6.917 -7.246 1.00 0.81 H new ATOM 132 N ASP A 10 -9.427 7.217 -8.523 1.00 0.67 N ATOM 133 CA ASP A 10 -8.786 7.700 -9.740 1.00 0.71 C ATOM 134 C ASP A 10 -7.319 7.264 -9.760 1.00 0.68 C ATOM 135 O ASP A 10 -6.774 6.823 -10.773 1.00 0.77 O ATOM 136 CB ASP A 10 -8.924 9.225 -9.806 1.00 0.73 C ATOM 137 CG ASP A 10 -8.395 9.783 -11.120 1.00 0.89 C ATOM 138 OD1 ASP A 10 -8.806 9.245 -12.170 1.00 1.45 O ATOM 139 OD2 ASP A 10 -7.620 10.761 -11.056 1.00 2.22 O ATOM 0 H ASP A 10 -9.740 7.954 -7.891 1.00 0.67 H new ATOM 0 HA ASP A 10 -9.270 7.273 -10.618 1.00 0.71 H new ATOM 0 HB2 ASP A 10 -9.972 9.501 -9.689 1.00 0.73 H new ATOM 0 HB3 ASP A 10 -8.382 9.676 -8.975 1.00 0.73 H new ATOM 144 N ASP A 11 -6.683 7.342 -8.590 1.00 0.61 N ATOM 145 CA ASP A 11 -5.277 7.060 -8.435 1.00 0.60 C ATOM 146 C ASP A 11 -5.032 5.575 -8.681 1.00 0.55 C ATOM 147 O ASP A 11 -4.169 5.219 -9.477 1.00 0.57 O ATOM 148 CB ASP A 11 -4.811 7.499 -7.048 1.00 0.64 C ATOM 149 CG ASP A 11 -4.955 8.999 -6.831 1.00 1.40 C ATOM 150 OD1 ASP A 11 -6.075 9.402 -6.453 1.00 1.92 O ATOM 151 OD2 ASP A 11 -3.948 9.716 -7.023 1.00 2.67 O ATOM 0 H ASP A 11 -7.146 7.607 -7.720 1.00 0.61 H new ATOM 0 HA ASP A 11 -4.695 7.621 -9.166 1.00 0.60 H new ATOM 0 HB2 ASP A 11 -5.388 6.969 -6.290 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -3.768 7.214 -6.912 1.00 0.64 H new ATOM 156 N ILE A 12 -5.805 4.690 -8.042 1.00 0.56 N ATOM 157 CA ILE A 12 -5.716 3.272 -8.294 1.00 0.59 C ATOM 158 C ILE A 12 -6.024 2.962 -9.756 1.00 0.63 C ATOM 159 O ILE A 12 -5.324 2.148 -10.345 1.00 0.68 O ATOM 160 CB ILE A 12 -6.535 2.432 -7.306 1.00 0.63 C ATOM 161 CG1 ILE A 12 -8.055 2.551 -7.460 1.00 0.62 C ATOM 162 CG2 ILE A 12 -6.037 2.611 -5.864 1.00 0.64 C ATOM 163 CD1 ILE A 12 -8.850 1.707 -6.460 1.00 0.76 C ATOM 0 H ILE A 12 -6.501 4.947 -7.343 1.00 0.56 H new ATOM 0 HA ILE A 12 -4.684 2.972 -8.114 1.00 0.59 H new ATOM 0 HB ILE A 12 -6.348 1.393 -7.578 1.00 0.63 H new ATOM 0 HG12 ILE A 12 -8.341 3.597 -7.345 1.00 0.62 H new ATOM 0 HG13 ILE A 12 -8.332 2.254 -8.472 1.00 0.62 H new ATOM 0 HG21 ILE A 12 -6.641 2.001 -5.192 1.00 0.64 H new ATOM 0 HG22 ILE A 12 -4.994 2.300 -5.798 1.00 0.64 H new ATOM 0 HG23 ILE A 12 -6.122 3.659 -5.577 1.00 0.64 H new ATOM 0 HD11 ILE A 12 -9.917 1.846 -6.634 1.00 0.76 H new ATOM 0 HD12 ILE A 12 -8.595 0.655 -6.588 1.00 0.76 H new ATOM 0 HD13 ILE A 12 -8.604 2.019 -5.445 1.00 0.76 H new ATOM 175 N ALA A 13 -7.021 3.614 -10.365 1.00 0.64 N ATOM 176 CA ALA A 13 -7.279 3.447 -11.791 1.00 0.72 C ATOM 177 C ALA A 13 -6.016 3.731 -12.616 1.00 0.71 C ATOM 178 O ALA A 13 -5.644 2.932 -13.474 1.00 0.75 O ATOM 179 CB ALA A 13 -8.461 4.312 -12.239 1.00 0.78 C ATOM 0 H ALA A 13 -7.656 4.257 -9.892 1.00 0.64 H new ATOM 0 HA ALA A 13 -7.553 2.407 -11.969 1.00 0.72 H new ATOM 0 HB1 ALA A 13 -8.633 4.169 -13.306 1.00 0.78 H new ATOM 0 HB2 ALA A 13 -9.354 4.022 -11.686 1.00 0.78 H new ATOM 0 HB3 ALA A 13 -8.238 5.361 -12.045 1.00 0.78 H new ATOM 185 N ALA A 14 -5.327 4.845 -12.342 1.00 0.68 N ATOM 186 CA ALA A 14 -4.053 5.140 -12.992 1.00 0.72 C ATOM 187 C ALA A 14 -3.028 4.034 -12.706 1.00 0.72 C ATOM 188 O ALA A 14 -2.516 3.396 -13.627 1.00 0.74 O ATOM 189 CB ALA A 14 -3.541 6.517 -12.553 1.00 0.71 C ATOM 0 H ALA A 14 -5.633 5.554 -11.675 1.00 0.68 H new ATOM 0 HA ALA A 14 -4.205 5.169 -14.071 1.00 0.72 H new ATOM 0 HB1 ALA A 14 -2.591 6.725 -13.044 1.00 0.71 H new ATOM 0 HB2 ALA A 14 -4.268 7.281 -12.830 1.00 0.71 H new ATOM 0 HB3 ALA A 14 -3.400 6.525 -11.472 1.00 0.71 H new ATOM 195 N ALA A 15 -2.747 3.801 -11.422 1.00 0.71 N ATOM 196 CA ALA A 15 -1.790 2.834 -10.899 1.00 0.69 C ATOM 197 C ALA A 15 -1.942 1.469 -11.568 1.00 0.71 C ATOM 198 O ALA A 15 -0.978 0.841 -12.009 1.00 0.72 O ATOM 199 CB ALA A 15 -1.990 2.725 -9.380 1.00 0.70 C ATOM 0 H ALA A 15 -3.213 4.317 -10.676 1.00 0.71 H new ATOM 0 HA ALA A 15 -0.779 3.177 -11.118 1.00 0.69 H new ATOM 0 HB1 ALA A 15 -1.282 2.005 -8.970 1.00 0.70 H new ATOM 0 HB2 ALA A 15 -1.824 3.699 -8.920 1.00 0.70 H new ATOM 0 HB3 ALA A 15 -3.007 2.393 -9.170 1.00 0.70 H new ATOM 205 N LEU A 16 -3.195 1.040 -11.645 1.00 0.74 N ATOM 206 CA LEU A 16 -3.623 -0.219 -12.210 1.00 0.74 C ATOM 207 C LEU A 16 -3.111 -0.317 -13.636 1.00 0.75 C ATOM 208 O LEU A 16 -2.658 -1.381 -14.043 1.00 0.78 O ATOM 209 CB LEU A 16 -5.158 -0.321 -12.115 1.00 0.74 C ATOM 210 CG LEU A 16 -5.852 -1.557 -12.718 1.00 1.19 C ATOM 211 CD1 LEU A 16 -5.992 -1.507 -14.246 1.00 2.72 C ATOM 212 CD2 LEU A 16 -5.216 -2.873 -12.258 1.00 2.62 C ATOM 0 H LEU A 16 -3.976 1.595 -11.295 1.00 0.74 H new ATOM 0 HA LEU A 16 -3.210 -1.062 -11.656 1.00 0.74 H new ATOM 0 HB2 LEU A 16 -5.429 -0.271 -11.060 1.00 0.74 H new ATOM 0 HB3 LEU A 16 -5.579 0.562 -12.595 1.00 0.74 H new ATOM 0 HG LEU A 16 -6.866 -1.526 -12.320 1.00 1.19 H new ATOM 0 HD11 LEU A 16 -6.490 -2.411 -14.596 1.00 2.72 H new ATOM 0 HD12 LEU A 16 -6.582 -0.635 -14.529 1.00 2.72 H new ATOM 0 HD13 LEU A 16 -5.003 -1.439 -14.700 1.00 2.72 H new ATOM 0 HD21 LEU A 16 -5.744 -3.711 -12.713 1.00 2.62 H new ATOM 0 HD22 LEU A 16 -4.169 -2.896 -12.561 1.00 2.62 H new ATOM 0 HD23 LEU A 16 -5.282 -2.949 -11.173 1.00 2.62 H new ATOM 224 N GLN A 17 -3.179 0.774 -14.406 1.00 0.75 N ATOM 225 CA GLN A 17 -2.803 0.709 -15.807 1.00 0.77 C ATOM 226 C GLN A 17 -1.292 0.846 -15.921 1.00 0.76 C ATOM 227 O GLN A 17 -0.637 0.049 -16.590 1.00 0.72 O ATOM 228 CB GLN A 17 -3.552 1.774 -16.617 1.00 0.79 C ATOM 229 CG GLN A 17 -3.209 1.635 -18.109 1.00 1.78 C ATOM 230 CD GLN A 17 -4.122 2.474 -18.994 1.00 2.09 C ATOM 231 OE1 GLN A 17 -3.682 3.415 -19.645 1.00 2.91 O ATOM 232 NE2 GLN A 17 -5.406 2.127 -19.049 1.00 2.53 N ATOM 0 H GLN A 17 -3.486 1.692 -14.084 1.00 0.75 H new ATOM 0 HA GLN A 17 -3.089 -0.255 -16.228 1.00 0.77 H new ATOM 0 HB2 GLN A 17 -4.627 1.665 -16.471 1.00 0.79 H new ATOM 0 HB3 GLN A 17 -3.281 2.769 -16.264 1.00 0.79 H new ATOM 0 HG2 GLN A 17 -2.174 1.936 -18.271 1.00 1.78 H new ATOM 0 HG3 GLN A 17 -3.286 0.588 -18.401 1.00 1.78 H new ATOM 0 HE21 GLN A 17 -5.746 1.340 -18.497 1.00 2.53 H new ATOM 0 HE22 GLN A 17 -6.050 2.649 -19.643 1.00 2.53 H new ATOM 241 N GLU A 18 -0.753 1.882 -15.280 1.00 0.88 N ATOM 242 CA GLU A 18 0.634 2.268 -15.442 1.00 1.01 C ATOM 243 C GLU A 18 1.574 1.144 -14.981 1.00 1.03 C ATOM 244 O GLU A 18 2.596 0.903 -15.620 1.00 1.13 O ATOM 245 CB GLU A 18 0.834 3.649 -14.801 1.00 1.13 C ATOM 246 CG GLU A 18 0.874 3.649 -13.270 1.00 1.24 C ATOM 247 CD GLU A 18 2.280 3.576 -12.702 1.00 1.43 C ATOM 248 OE1 GLU A 18 3.195 4.152 -13.328 1.00 2.30 O ATOM 249 OE2 GLU A 18 2.426 2.966 -11.621 1.00 2.20 O ATOM 0 H GLU A 18 -1.274 2.474 -14.633 1.00 0.88 H new ATOM 0 HA GLU A 18 0.906 2.393 -16.490 1.00 1.01 H new ATOM 0 HB2 GLU A 18 1.765 4.075 -15.174 1.00 1.13 H new ATOM 0 HB3 GLU A 18 0.028 4.306 -15.129 1.00 1.13 H new ATOM 0 HG2 GLU A 18 0.388 4.552 -12.902 1.00 1.24 H new ATOM 0 HG3 GLU A 18 0.296 2.802 -12.899 1.00 1.24 H new ATOM 256 N CYS A 19 1.180 0.395 -13.943 1.00 0.99 N ATOM 257 CA CYS A 19 1.830 -0.848 -13.547 1.00 1.06 C ATOM 258 C CYS A 19 0.807 -1.986 -13.588 1.00 0.88 C ATOM 259 O CYS A 19 0.494 -2.584 -12.554 1.00 1.04 O ATOM 260 CB CYS A 19 2.449 -0.718 -12.155 1.00 1.33 C ATOM 261 SG CYS A 19 3.878 0.390 -12.176 1.00 2.07 S ATOM 0 H CYS A 19 0.389 0.645 -13.350 1.00 0.99 H new ATOM 0 HA CYS A 19 2.638 -1.069 -14.244 1.00 1.06 H new ATOM 0 HB2 CYS A 19 1.703 -0.340 -11.456 1.00 1.33 H new ATOM 0 HB3 CYS A 19 2.753 -1.701 -11.796 1.00 1.33 H new ATOM 0 HG CYS A 19 3.498 1.595 -11.869 1.00 2.07 H new ATOM 267 N ARG A 20 0.317 -2.357 -14.776 1.00 0.75 N ATOM 268 CA ARG A 20 -0.581 -3.511 -14.915 1.00 0.79 C ATOM 269 C ARG A 20 0.172 -4.844 -15.027 1.00 0.86 C ATOM 270 O ARG A 20 -0.465 -5.893 -15.094 1.00 1.17 O ATOM 271 CB ARG A 20 -1.550 -3.311 -16.097 1.00 1.04 C ATOM 272 CG ARG A 20 -2.900 -3.992 -15.808 1.00 1.94 C ATOM 273 CD ARG A 20 -3.996 -3.584 -16.796 1.00 2.50 C ATOM 274 NE ARG A 20 -3.838 -4.265 -18.088 1.00 2.71 N ATOM 275 CZ ARG A 20 -4.772 -4.275 -19.052 1.00 3.48 C ATOM 276 NH1 ARG A 20 -5.866 -3.516 -18.923 1.00 4.28 N ATOM 277 NH2 ARG A 20 -4.614 -5.047 -20.133 1.00 3.98 N ATOM 0 H ARG A 20 0.525 -1.878 -15.652 1.00 0.75 H new ATOM 0 HA ARG A 20 -1.165 -3.569 -13.996 1.00 0.79 H new ATOM 0 HB2 ARG A 20 -1.703 -2.246 -16.273 1.00 1.04 H new ATOM 0 HB3 ARG A 20 -1.114 -3.725 -17.006 1.00 1.04 H new ATOM 0 HG2 ARG A 20 -2.771 -5.074 -15.843 1.00 1.94 H new ATOM 0 HG3 ARG A 20 -3.218 -3.742 -14.796 1.00 1.94 H new ATOM 0 HD2 ARG A 20 -4.973 -3.822 -16.375 1.00 2.50 H new ATOM 0 HD3 ARG A 20 -3.968 -2.505 -16.947 1.00 2.50 H new ATOM 0 HE ARG A 20 -2.964 -4.761 -18.263 1.00 2.71 H new ATOM 0 HH11 ARG A 20 -5.988 -2.933 -18.095 1.00 4.28 H new ATOM 0 HH12 ARG A 20 -6.579 -3.520 -19.653 1.00 4.28 H new ATOM 0 HH21 ARG A 20 -3.782 -5.630 -20.226 1.00 3.98 H new ATOM 0 HH22 ARG A 20 -5.325 -5.053 -20.864 1.00 3.98 H new ATOM 291 N ASP A 21 1.509 -4.811 -15.051 1.00 0.98 N ATOM 292 CA ASP A 21 2.341 -5.922 -15.505 1.00 1.04 C ATOM 293 C ASP A 21 3.166 -6.531 -14.360 1.00 0.86 C ATOM 294 O ASP A 21 3.445 -5.857 -13.362 1.00 0.81 O ATOM 295 CB ASP A 21 3.192 -5.425 -16.680 1.00 1.14 C ATOM 296 CG ASP A 21 2.400 -5.539 -17.974 1.00 1.65 C ATOM 297 OD1 ASP A 21 1.641 -4.587 -18.260 1.00 2.34 O ATOM 298 OD2 ASP A 21 2.538 -6.596 -18.624 1.00 2.69 O ATOM 0 H ASP A 21 2.048 -3.999 -14.751 1.00 0.98 H new ATOM 0 HA ASP A 21 1.717 -6.746 -15.851 1.00 1.04 H new ATOM 0 HB2 ASP A 21 3.488 -4.389 -16.514 1.00 1.14 H new ATOM 0 HB3 ASP A 21 4.108 -6.011 -16.751 1.00 1.14 H new ATOM 303 N PRO A 22 3.508 -7.828 -14.452 1.00 0.87 N ATOM 304 CA PRO A 22 4.089 -8.571 -13.347 1.00 0.88 C ATOM 305 C PRO A 22 5.451 -8.001 -12.953 1.00 0.86 C ATOM 306 O PRO A 22 6.352 -7.914 -13.784 1.00 1.28 O ATOM 307 CB PRO A 22 4.186 -10.027 -13.822 1.00 1.01 C ATOM 308 CG PRO A 22 4.223 -9.904 -15.345 1.00 1.07 C ATOM 309 CD PRO A 22 3.325 -8.695 -15.607 1.00 1.01 C ATOM 0 HA PRO A 22 3.476 -8.500 -12.449 1.00 0.88 H new ATOM 0 HB2 PRO A 22 5.081 -10.516 -13.437 1.00 1.01 H new ATOM 0 HB3 PRO A 22 3.332 -10.616 -13.488 1.00 1.01 H new ATOM 0 HG2 PRO A 22 5.236 -9.743 -15.714 1.00 1.07 H new ATOM 0 HG3 PRO A 22 3.845 -10.802 -15.833 1.00 1.07 H new ATOM 0 HD2 PRO A 22 3.607 -8.187 -16.529 1.00 1.01 H new ATOM 0 HD3 PRO A 22 2.282 -8.994 -15.714 1.00 1.01 H new ATOM 317 N ASP A 23 5.583 -7.631 -11.675 1.00 0.69 N ATOM 318 CA ASP A 23 6.824 -7.187 -11.049 1.00 0.65 C ATOM 319 C ASP A 23 7.303 -5.830 -11.597 1.00 0.55 C ATOM 320 O ASP A 23 8.458 -5.445 -11.429 1.00 0.75 O ATOM 321 CB ASP A 23 7.886 -8.305 -11.132 1.00 0.87 C ATOM 322 CG ASP A 23 8.648 -8.547 -9.833 1.00 1.83 C ATOM 323 OD1 ASP A 23 8.680 -7.636 -8.977 1.00 3.26 O ATOM 324 OD2 ASP A 23 9.135 -9.691 -9.678 1.00 2.43 O ATOM 0 H ASP A 23 4.795 -7.634 -11.027 1.00 0.69 H new ATOM 0 HA ASP A 23 6.637 -7.002 -9.991 1.00 0.65 H new ATOM 0 HB2 ASP A 23 7.397 -9.232 -11.431 1.00 0.87 H new ATOM 0 HB3 ASP A 23 8.600 -8.054 -11.917 1.00 0.87 H new ATOM 329 N THR A 24 6.398 -5.071 -12.227 1.00 0.58 N ATOM 330 CA THR A 24 6.666 -3.732 -12.751 1.00 0.68 C ATOM 331 C THR A 24 6.541 -2.659 -11.662 1.00 0.68 C ATOM 332 O THR A 24 6.952 -1.516 -11.857 1.00 0.94 O ATOM 333 CB THR A 24 5.684 -3.476 -13.909 1.00 0.73 C ATOM 334 OG1 THR A 24 5.774 -4.565 -14.803 1.00 0.86 O ATOM 335 CG2 THR A 24 5.957 -2.189 -14.698 1.00 0.93 C ATOM 0 H THR A 24 5.439 -5.380 -12.389 1.00 0.58 H new ATOM 0 HA THR A 24 7.693 -3.675 -13.111 1.00 0.68 H new ATOM 0 HB THR A 24 4.695 -3.365 -13.464 1.00 0.73 H new ATOM 0 HG1 THR A 24 5.573 -4.259 -15.712 1.00 0.86 H new ATOM 0 HG21 THR A 24 5.219 -2.087 -15.494 1.00 0.93 H new ATOM 0 HG22 THR A 24 5.890 -1.331 -14.029 1.00 0.93 H new ATOM 0 HG23 THR A 24 6.956 -2.233 -15.132 1.00 0.93 H new ATOM 343 N PHE A 25 5.901 -2.997 -10.541 1.00 0.63 N ATOM 344 CA PHE A 25 5.266 -2.019 -9.673 1.00 0.89 C ATOM 345 C PHE A 25 6.210 -1.592 -8.535 1.00 0.73 C ATOM 346 O PHE A 25 6.324 -2.292 -7.531 1.00 1.19 O ATOM 347 CB PHE A 25 3.953 -2.634 -9.162 1.00 1.42 C ATOM 348 CG PHE A 25 2.741 -1.722 -9.054 1.00 2.18 C ATOM 349 CD1 PHE A 25 2.850 -0.325 -8.913 1.00 3.25 C ATOM 350 CD2 PHE A 25 1.468 -2.296 -9.206 1.00 2.75 C ATOM 351 CE1 PHE A 25 1.688 0.469 -8.923 1.00 4.06 C ATOM 352 CE2 PHE A 25 0.308 -1.522 -9.104 1.00 3.47 C ATOM 353 CZ PHE A 25 0.420 -0.138 -8.957 1.00 3.89 C ATOM 0 H PHE A 25 5.812 -3.959 -10.214 1.00 0.63 H new ATOM 0 HA PHE A 25 5.040 -1.103 -10.220 1.00 0.89 H new ATOM 0 HB2 PHE A 25 3.692 -3.462 -9.821 1.00 1.42 H new ATOM 0 HB3 PHE A 25 4.143 -3.058 -8.176 1.00 1.42 H new ATOM 0 HD1 PHE A 25 3.820 0.135 -8.798 1.00 3.25 H new ATOM 0 HD2 PHE A 25 1.384 -3.354 -9.405 1.00 2.75 H new ATOM 0 HE1 PHE A 25 1.770 1.546 -8.905 1.00 4.06 H new ATOM 0 HE2 PHE A 25 -0.665 -1.990 -9.139 1.00 3.47 H new ATOM 0 HZ PHE A 25 -0.470 0.468 -8.869 1.00 3.89 H new ATOM 363 N GLU A 26 6.892 -0.447 -8.677 1.00 0.61 N ATOM 364 CA GLU A 26 7.833 0.053 -7.674 1.00 0.55 C ATOM 365 C GLU A 26 7.083 0.717 -6.511 1.00 0.54 C ATOM 366 O GLU A 26 5.985 1.235 -6.714 1.00 0.52 O ATOM 367 CB GLU A 26 8.799 1.074 -8.301 1.00 0.54 C ATOM 368 CG GLU A 26 10.254 0.596 -8.373 1.00 0.75 C ATOM 369 CD GLU A 26 11.191 1.779 -8.168 1.00 1.46 C ATOM 370 OE1 GLU A 26 11.071 2.735 -8.963 1.00 1.68 O ATOM 371 OE2 GLU A 26 11.945 1.738 -7.173 1.00 2.81 O ATOM 0 H GLU A 26 6.804 0.157 -9.494 1.00 0.61 H new ATOM 0 HA GLU A 26 8.401 -0.797 -7.296 1.00 0.55 H new ATOM 0 HB2 GLU A 26 8.456 1.312 -9.308 1.00 0.54 H new ATOM 0 HB3 GLU A 26 8.759 1.998 -7.724 1.00 0.54 H new ATOM 0 HG2 GLU A 26 10.437 -0.162 -7.611 1.00 0.75 H new ATOM 0 HG3 GLU A 26 10.447 0.130 -9.339 1.00 0.75 H new ATOM 378 N PRO A 27 7.679 0.788 -5.309 1.00 0.57 N ATOM 379 CA PRO A 27 7.017 1.333 -4.140 1.00 0.61 C ATOM 380 C PRO A 27 6.855 2.851 -4.239 1.00 0.51 C ATOM 381 O PRO A 27 5.732 3.343 -4.230 1.00 0.40 O ATOM 382 CB PRO A 27 7.866 0.918 -2.937 1.00 0.76 C ATOM 383 CG PRO A 27 9.257 0.665 -3.523 1.00 0.77 C ATOM 384 CD PRO A 27 8.999 0.281 -4.977 1.00 0.62 C ATOM 0 HA PRO A 27 6.002 0.946 -4.045 1.00 0.61 H new ATOM 0 HB2 PRO A 27 7.890 1.701 -2.179 1.00 0.76 H new ATOM 0 HB3 PRO A 27 7.467 0.023 -2.459 1.00 0.76 H new ATOM 0 HG2 PRO A 27 9.884 1.554 -3.453 1.00 0.77 H new ATOM 0 HG3 PRO A 27 9.773 -0.132 -2.988 1.00 0.77 H new ATOM 0 HD2 PRO A 27 9.756 0.712 -5.632 1.00 0.62 H new ATOM 0 HD3 PRO A 27 9.043 -0.800 -5.106 1.00 0.62 H new ATOM 392 N GLN A 28 7.959 3.603 -4.328 1.00 0.61 N ATOM 393 CA GLN A 28 7.915 5.063 -4.410 1.00 0.61 C ATOM 394 C GLN A 28 7.119 5.511 -5.639 1.00 0.59 C ATOM 395 O GLN A 28 6.350 6.471 -5.578 1.00 0.66 O ATOM 396 CB GLN A 28 9.335 5.642 -4.412 1.00 0.69 C ATOM 397 CG GLN A 28 9.939 5.558 -3.004 1.00 0.99 C ATOM 398 CD GLN A 28 11.378 6.059 -2.965 1.00 1.21 C ATOM 399 OE1 GLN A 28 12.309 5.278 -2.798 1.00 2.46 O ATOM 400 NE2 GLN A 28 11.581 7.365 -3.108 1.00 1.07 N ATOM 0 H GLN A 28 8.903 3.216 -4.345 1.00 0.61 H new ATOM 0 HA GLN A 28 7.401 5.449 -3.529 1.00 0.61 H new ATOM 0 HB2 GLN A 28 9.959 5.093 -5.117 1.00 0.69 H new ATOM 0 HB3 GLN A 28 9.313 6.679 -4.746 1.00 0.69 H new ATOM 0 HG2 GLN A 28 9.333 6.145 -2.315 1.00 0.99 H new ATOM 0 HG3 GLN A 28 9.906 4.525 -2.657 1.00 0.99 H new ATOM 0 HE21 GLN A 28 10.789 7.992 -3.246 1.00 1.07 H new ATOM 0 HE22 GLN A 28 12.529 7.740 -3.080 1.00 1.07 H new ATOM 409 N LYS A 29 7.271 4.783 -6.749 1.00 0.55 N ATOM 410 CA LYS A 29 6.438 4.968 -7.922 1.00 0.48 C ATOM 411 C LYS A 29 4.964 4.836 -7.532 1.00 0.46 C ATOM 412 O LYS A 29 4.201 5.790 -7.714 1.00 0.51 O ATOM 413 CB LYS A 29 6.839 3.956 -9.002 1.00 0.50 C ATOM 414 CG LYS A 29 5.927 3.953 -10.235 1.00 0.52 C ATOM 415 CD LYS A 29 5.939 5.275 -11.028 1.00 1.25 C ATOM 416 CE LYS A 29 4.526 5.846 -11.245 1.00 2.41 C ATOM 417 NZ LYS A 29 4.088 6.813 -10.224 1.00 4.12 N ATOM 0 H LYS A 29 7.976 4.053 -6.851 1.00 0.55 H new ATOM 0 HA LYS A 29 6.584 5.967 -8.333 1.00 0.48 H new ATOM 0 HB2 LYS A 29 7.860 4.168 -9.320 1.00 0.50 H new ATOM 0 HB3 LYS A 29 6.842 2.958 -8.565 1.00 0.50 H new ATOM 0 HG2 LYS A 29 6.231 3.142 -10.897 1.00 0.52 H new ATOM 0 HG3 LYS A 29 4.906 3.741 -9.918 1.00 0.52 H new ATOM 0 HD2 LYS A 29 6.546 6.008 -10.496 1.00 1.25 H new ATOM 0 HD3 LYS A 29 6.413 5.110 -11.996 1.00 1.25 H new ATOM 0 HE2 LYS A 29 4.490 6.329 -12.222 1.00 2.41 H new ATOM 0 HE3 LYS A 29 3.815 5.020 -11.272 1.00 2.41 H new ATOM 0 HZ1 LYS A 29 3.080 7.029 -10.360 1.00 4.12 H new ATOM 0 HZ2 LYS A 29 4.231 6.407 -9.277 1.00 4.12 H new ATOM 0 HZ3 LYS A 29 4.644 7.687 -10.313 1.00 4.12 H new ATOM 431 N PHE A 30 4.566 3.654 -7.049 1.00 0.46 N ATOM 432 CA PHE A 30 3.186 3.320 -6.731 1.00 0.51 C ATOM 433 C PHE A 30 2.604 4.362 -5.785 1.00 0.55 C ATOM 434 O PHE A 30 1.594 4.971 -6.091 1.00 0.70 O ATOM 435 CB PHE A 30 3.120 1.916 -6.112 1.00 0.51 C ATOM 436 CG PHE A 30 1.753 1.357 -5.756 1.00 0.71 C ATOM 437 CD1 PHE A 30 0.560 1.941 -6.228 1.00 1.71 C ATOM 438 CD2 PHE A 30 1.696 0.127 -5.076 1.00 2.13 C ATOM 439 CE1 PHE A 30 -0.677 1.334 -5.966 1.00 1.79 C ATOM 440 CE2 PHE A 30 0.461 -0.492 -4.831 1.00 2.43 C ATOM 441 CZ PHE A 30 -0.724 0.118 -5.270 1.00 1.49 C ATOM 0 H PHE A 30 5.215 2.889 -6.866 1.00 0.46 H new ATOM 0 HA PHE A 30 2.592 3.320 -7.645 1.00 0.51 H new ATOM 0 HB2 PHE A 30 3.594 1.222 -6.806 1.00 0.51 H new ATOM 0 HB3 PHE A 30 3.725 1.922 -5.205 1.00 0.51 H new ATOM 0 HD1 PHE A 30 0.599 2.860 -6.794 1.00 1.71 H new ATOM 0 HD2 PHE A 30 2.608 -0.344 -4.741 1.00 2.13 H new ATOM 0 HE1 PHE A 30 -1.591 1.802 -6.300 1.00 1.79 H new ATOM 0 HE2 PHE A 30 0.422 -1.435 -4.306 1.00 2.43 H new ATOM 0 HZ PHE A 30 -1.676 -0.351 -5.071 1.00 1.49 H new ATOM 451 N PHE A 31 3.270 4.574 -4.660 1.00 0.52 N ATOM 452 CA PHE A 31 3.001 5.540 -3.615 1.00 0.56 C ATOM 453 C PHE A 31 2.395 6.840 -4.162 1.00 0.49 C ATOM 454 O PHE A 31 1.227 7.141 -3.894 1.00 0.71 O ATOM 455 CB PHE A 31 4.334 5.752 -2.886 1.00 0.82 C ATOM 456 CG PHE A 31 4.428 7.006 -2.067 1.00 1.53 C ATOM 457 CD1 PHE A 31 3.372 7.324 -1.208 1.00 2.92 C ATOM 458 CD2 PHE A 31 5.482 7.921 -2.267 1.00 2.96 C ATOM 459 CE1 PHE A 31 3.344 8.575 -0.591 1.00 4.41 C ATOM 460 CE2 PHE A 31 5.512 9.116 -1.534 1.00 4.30 C ATOM 461 CZ PHE A 31 4.467 9.408 -0.645 1.00 4.76 C ATOM 0 H PHE A 31 4.094 4.016 -4.438 1.00 0.52 H new ATOM 0 HA PHE A 31 2.243 5.175 -2.923 1.00 0.56 H new ATOM 0 HB2 PHE A 31 4.511 4.898 -2.233 1.00 0.82 H new ATOM 0 HB3 PHE A 31 5.135 5.760 -3.625 1.00 0.82 H new ATOM 0 HD1 PHE A 31 2.585 6.608 -1.024 1.00 2.92 H new ATOM 0 HD2 PHE A 31 6.262 7.703 -2.981 1.00 2.96 H new ATOM 0 HE1 PHE A 31 2.455 8.901 -0.071 1.00 4.41 H new ATOM 0 HE2 PHE A 31 6.334 9.807 -1.653 1.00 4.30 H new ATOM 0 HZ PHE A 31 4.529 10.274 -0.003 1.00 4.76 H new ATOM 471 N GLN A 32 3.171 7.601 -4.942 1.00 0.37 N ATOM 472 CA GLN A 32 2.690 8.849 -5.517 1.00 0.44 C ATOM 473 C GLN A 32 1.502 8.567 -6.427 1.00 0.45 C ATOM 474 O GLN A 32 0.481 9.241 -6.348 1.00 0.56 O ATOM 475 CB GLN A 32 3.812 9.555 -6.289 1.00 0.52 C ATOM 476 CG GLN A 32 4.606 10.473 -5.357 1.00 1.58 C ATOM 477 CD GLN A 32 5.819 11.074 -6.059 1.00 1.78 C ATOM 478 OE1 GLN A 32 6.957 10.827 -5.677 1.00 3.06 O ATOM 479 NE2 GLN A 32 5.594 11.857 -7.112 1.00 1.58 N ATOM 0 H GLN A 32 4.134 7.369 -5.186 1.00 0.37 H new ATOM 0 HA GLN A 32 2.369 9.512 -4.713 1.00 0.44 H new ATOM 0 HB2 GLN A 32 4.477 8.815 -6.734 1.00 0.52 H new ATOM 0 HB3 GLN A 32 3.388 10.136 -7.108 1.00 0.52 H new ATOM 0 HG2 GLN A 32 3.960 11.274 -4.997 1.00 1.58 H new ATOM 0 HG3 GLN A 32 4.933 9.910 -4.483 1.00 1.58 H new ATOM 0 HE21 GLN A 32 4.638 12.048 -7.411 1.00 1.58 H new ATOM 0 HE22 GLN A 32 6.378 12.266 -7.620 1.00 1.58 H new ATOM 488 N THR A 33 1.636 7.552 -7.279 1.00 0.40 N ATOM 489 CA THR A 33 0.616 7.172 -8.235 1.00 0.43 C ATOM 490 C THR A 33 -0.714 6.802 -7.582 1.00 0.51 C ATOM 491 O THR A 33 -1.755 6.963 -8.205 1.00 0.67 O ATOM 492 CB THR A 33 1.170 6.039 -9.112 1.00 0.39 C ATOM 493 OG1 THR A 33 1.409 6.585 -10.378 1.00 0.66 O ATOM 494 CG2 THR A 33 0.259 4.841 -9.308 1.00 0.51 C ATOM 0 H THR A 33 2.471 6.967 -7.319 1.00 0.40 H new ATOM 0 HA THR A 33 0.383 8.036 -8.857 1.00 0.43 H new ATOM 0 HB THR A 33 2.052 5.661 -8.595 1.00 0.39 H new ATOM 0 HG1 THR A 33 1.767 5.892 -10.971 1.00 0.66 H new ATOM 0 HG21 THR A 33 0.755 4.107 -9.943 1.00 0.51 H new ATOM 0 HG22 THR A 33 0.036 4.392 -8.340 1.00 0.51 H new ATOM 0 HG23 THR A 33 -0.669 5.163 -9.781 1.00 0.51 H new ATOM 502 N SER A 34 -0.666 6.266 -6.362 1.00 0.48 N ATOM 503 CA SER A 34 -1.818 5.855 -5.588 1.00 0.64 C ATOM 504 C SER A 34 -2.401 7.055 -4.843 1.00 0.77 C ATOM 505 O SER A 34 -3.382 6.895 -4.118 1.00 1.17 O ATOM 506 CB SER A 34 -1.403 4.753 -4.608 1.00 0.70 C ATOM 507 OG SER A 34 -2.541 4.236 -3.943 1.00 1.46 O ATOM 0 H SER A 34 0.215 6.104 -5.875 1.00 0.48 H new ATOM 0 HA SER A 34 -2.587 5.462 -6.253 1.00 0.64 H new ATOM 0 HB2 SER A 34 -0.891 3.953 -5.144 1.00 0.70 H new ATOM 0 HB3 SER A 34 -0.697 5.151 -3.880 1.00 0.70 H new ATOM 0 HG SER A 34 -3.192 4.955 -3.802 1.00 1.46 H new ATOM 513 N GLY A 35 -1.766 8.226 -4.962 1.00 0.57 N ATOM 514 CA GLY A 35 -2.275 9.467 -4.398 1.00 0.68 C ATOM 515 C GLY A 35 -1.972 9.546 -2.909 1.00 0.53 C ATOM 516 O GLY A 35 -2.317 10.512 -2.235 1.00 0.57 O ATOM 0 H GLY A 35 -0.880 8.333 -5.456 1.00 0.57 H new ATOM 0 HA2 GLY A 35 -1.825 10.317 -4.911 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -3.351 9.531 -4.559 1.00 0.68 H new ATOM 520 N LEU A 36 -1.272 8.543 -2.381 1.00 0.54 N ATOM 521 CA LEU A 36 -1.049 8.402 -0.963 1.00 0.49 C ATOM 522 C LEU A 36 -0.134 9.517 -0.438 1.00 0.45 C ATOM 523 O LEU A 36 -0.188 9.845 0.740 1.00 0.49 O ATOM 524 CB LEU A 36 -0.516 6.989 -0.713 1.00 0.54 C ATOM 525 CG LEU A 36 -1.502 5.857 -1.050 1.00 0.84 C ATOM 526 CD1 LEU A 36 -0.787 4.511 -0.881 1.00 1.39 C ATOM 527 CD2 LEU A 36 -2.749 5.876 -0.158 1.00 1.11 C ATOM 0 H LEU A 36 -0.844 7.804 -2.940 1.00 0.54 H new ATOM 0 HA LEU A 36 -1.976 8.518 -0.402 1.00 0.49 H new ATOM 0 HB2 LEU A 36 0.391 6.849 -1.301 1.00 0.54 H new ATOM 0 HB3 LEU A 36 -0.232 6.904 0.336 1.00 0.54 H new ATOM 0 HG LEU A 36 -1.834 6.003 -2.078 1.00 0.84 H new ATOM 0 HD11 LEU A 36 -1.477 3.701 -1.117 1.00 1.39 H new ATOM 0 HD12 LEU A 36 0.069 4.467 -1.554 1.00 1.39 H new ATOM 0 HD13 LEU A 36 -0.445 4.408 0.149 1.00 1.39 H new ATOM 0 HD21 LEU A 36 -3.410 5.056 -0.439 1.00 1.11 H new ATOM 0 HD22 LEU A 36 -2.452 5.762 0.885 1.00 1.11 H new ATOM 0 HD23 LEU A 36 -3.272 6.824 -0.284 1.00 1.11 H new ATOM 539 N SER A 37 0.665 10.138 -1.318 1.00 0.58 N ATOM 540 CA SER A 37 1.474 11.318 -0.992 1.00 0.73 C ATOM 541 C SER A 37 0.564 12.542 -0.815 1.00 0.79 C ATOM 542 O SER A 37 0.896 13.481 -0.096 1.00 0.95 O ATOM 543 CB SER A 37 2.497 11.557 -2.121 1.00 1.03 C ATOM 544 OG SER A 37 3.478 12.530 -1.794 1.00 2.15 O ATOM 0 H SER A 37 0.768 9.831 -2.285 1.00 0.58 H new ATOM 0 HA SER A 37 2.010 11.153 -0.057 1.00 0.73 H new ATOM 0 HB2 SER A 37 2.994 10.616 -2.357 1.00 1.03 H new ATOM 0 HB3 SER A 37 1.968 11.873 -3.020 1.00 1.03 H new ATOM 0 HG SER A 37 4.171 12.121 -1.235 1.00 2.15 H new ATOM 550 N LYS A 38 -0.588 12.545 -1.496 1.00 0.76 N ATOM 551 CA LYS A 38 -1.556 13.624 -1.448 1.00 0.97 C ATOM 552 C LYS A 38 -2.461 13.422 -0.238 1.00 0.94 C ATOM 553 O LYS A 38 -2.875 14.397 0.388 1.00 1.14 O ATOM 554 CB LYS A 38 -2.371 13.658 -2.754 1.00 1.09 C ATOM 555 CG LYS A 38 -2.253 15.019 -3.446 1.00 1.27 C ATOM 556 CD LYS A 38 -3.139 15.036 -4.697 1.00 2.59 C ATOM 557 CE LYS A 38 -2.898 16.311 -5.517 1.00 3.06 C ATOM 558 NZ LYS A 38 -3.760 16.362 -6.717 1.00 4.31 N ATOM 0 H LYS A 38 -0.870 11.777 -2.105 1.00 0.76 H new ATOM 0 HA LYS A 38 -1.045 14.582 -1.350 1.00 0.97 H new ATOM 0 HB2 LYS A 38 -2.020 12.874 -3.425 1.00 1.09 H new ATOM 0 HB3 LYS A 38 -3.418 13.447 -2.538 1.00 1.09 H new ATOM 0 HG2 LYS A 38 -2.555 15.813 -2.763 1.00 1.27 H new ATOM 0 HG3 LYS A 38 -1.216 15.211 -3.720 1.00 1.27 H new ATOM 0 HD2 LYS A 38 -2.929 14.159 -5.309 1.00 2.59 H new ATOM 0 HD3 LYS A 38 -4.188 14.978 -4.406 1.00 2.59 H new ATOM 0 HE2 LYS A 38 -3.089 17.185 -4.895 1.00 3.06 H new ATOM 0 HE3 LYS A 38 -1.852 16.357 -5.819 1.00 3.06 H new ATOM 0 HZ1 LYS A 38 -3.569 17.237 -7.245 1.00 4.31 H new ATOM 0 HZ2 LYS A 38 -3.560 15.541 -7.323 1.00 4.31 H new ATOM 0 HZ3 LYS A 38 -4.759 16.344 -6.428 1.00 4.31 H new ATOM 572 N MET A 39 -2.791 12.165 0.081 1.00 0.78 N ATOM 573 CA MET A 39 -3.576 11.866 1.263 1.00 0.87 C ATOM 574 C MET A 39 -2.897 12.448 2.509 1.00 0.94 C ATOM 575 O MET A 39 -1.713 12.227 2.751 1.00 1.65 O ATOM 576 CB MET A 39 -3.761 10.352 1.372 1.00 0.78 C ATOM 577 CG MET A 39 -4.845 9.741 0.466 1.00 1.04 C ATOM 578 SD MET A 39 -5.298 10.530 -1.105 1.00 2.48 S ATOM 579 CE MET A 39 -6.424 11.827 -0.537 1.00 2.55 C ATOM 0 H MET A 39 -2.523 11.347 -0.467 1.00 0.78 H new ATOM 0 HA MET A 39 -4.560 12.327 1.185 1.00 0.87 H new ATOM 0 HB2 MET A 39 -2.810 9.872 1.143 1.00 0.78 H new ATOM 0 HB3 MET A 39 -4.000 10.108 2.407 1.00 0.78 H new ATOM 0 HG2 MET A 39 -4.532 8.723 0.234 1.00 1.04 H new ATOM 0 HG3 MET A 39 -5.755 9.667 1.061 1.00 1.04 H new ATOM 0 HE1 MET A 39 -7.389 11.714 -1.032 1.00 2.55 H new ATOM 0 HE2 MET A 39 -6.558 11.746 0.542 1.00 2.55 H new ATOM 0 HE3 MET A 39 -6.005 12.804 -0.778 1.00 2.55 H new ATOM 589 N SER A 40 -3.659 13.205 3.304 1.00 1.15 N ATOM 590 CA SER A 40 -3.168 13.758 4.556 1.00 1.19 C ATOM 591 C SER A 40 -2.840 12.613 5.516 1.00 0.96 C ATOM 592 O SER A 40 -3.453 11.548 5.434 1.00 0.82 O ATOM 593 CB SER A 40 -4.240 14.684 5.146 1.00 1.48 C ATOM 594 OG SER A 40 -3.876 15.158 6.430 1.00 2.34 O ATOM 0 H SER A 40 -4.627 13.447 3.094 1.00 1.15 H new ATOM 0 HA SER A 40 -2.260 14.338 4.389 1.00 1.19 H new ATOM 0 HB2 SER A 40 -4.398 15.530 4.477 1.00 1.48 H new ATOM 0 HB3 SER A 40 -5.187 14.149 5.211 1.00 1.48 H new ATOM 0 HG SER A 40 -4.267 16.045 6.574 1.00 2.34 H new ATOM 600 N ALA A 41 -1.927 12.857 6.466 1.00 1.00 N ATOM 601 CA ALA A 41 -1.589 11.937 7.549 1.00 0.88 C ATOM 602 C ALA A 41 -2.837 11.253 8.109 1.00 0.82 C ATOM 603 O ALA A 41 -2.838 10.045 8.320 1.00 0.69 O ATOM 604 CB ALA A 41 -0.854 12.694 8.658 1.00 1.06 C ATOM 0 H ALA A 41 -1.391 13.724 6.499 1.00 1.00 H new ATOM 0 HA ALA A 41 -0.938 11.160 7.148 1.00 0.88 H new ATOM 0 HB1 ALA A 41 -0.603 12.005 9.464 1.00 1.06 H new ATOM 0 HB2 ALA A 41 0.060 13.130 8.256 1.00 1.06 H new ATOM 0 HB3 ALA A 41 -1.495 13.486 9.044 1.00 1.06 H new ATOM 610 N ASN A 42 -3.905 12.034 8.305 1.00 0.98 N ATOM 611 CA ASN A 42 -5.226 11.550 8.688 1.00 1.05 C ATOM 612 C ASN A 42 -5.627 10.338 7.841 1.00 0.90 C ATOM 613 O ASN A 42 -5.788 9.227 8.342 1.00 0.87 O ATOM 614 CB ASN A 42 -6.264 12.672 8.509 1.00 1.30 C ATOM 615 CG ASN A 42 -5.979 13.891 9.379 1.00 1.51 C ATOM 616 OD1 ASN A 42 -6.368 13.931 10.540 1.00 2.35 O ATOM 617 ND2 ASN A 42 -5.297 14.899 8.837 1.00 1.55 N ATOM 0 H ASN A 42 -3.868 13.048 8.197 1.00 0.98 H new ATOM 0 HA ASN A 42 -5.192 11.247 9.734 1.00 1.05 H new ATOM 0 HB2 ASN A 42 -6.285 12.976 7.463 1.00 1.30 H new ATOM 0 HB3 ASN A 42 -7.254 12.285 8.749 1.00 1.30 H new ATOM 0 HD21 ASN A 42 -5.087 15.729 9.391 1.00 1.55 H new ATOM 0 HD22 ASN A 42 -4.984 14.840 7.868 1.00 1.55 H new ATOM 624 N GLN A 43 -5.774 10.570 6.536 1.00 0.89 N ATOM 625 CA GLN A 43 -6.213 9.573 5.579 1.00 0.84 C ATOM 626 C GLN A 43 -5.193 8.447 5.474 1.00 0.65 C ATOM 627 O GLN A 43 -5.588 7.297 5.382 1.00 0.72 O ATOM 628 CB GLN A 43 -6.479 10.239 4.227 1.00 0.86 C ATOM 629 CG GLN A 43 -7.881 10.866 4.244 1.00 0.97 C ATOM 630 CD GLN A 43 -8.059 11.973 3.209 1.00 1.79 C ATOM 631 OE1 GLN A 43 -7.108 12.667 2.855 1.00 3.48 O ATOM 632 NE2 GLN A 43 -9.287 12.165 2.737 1.00 2.40 N ATOM 0 H GLN A 43 -5.585 11.479 6.113 1.00 0.89 H new ATOM 0 HA GLN A 43 -7.146 9.125 5.921 1.00 0.84 H new ATOM 0 HB2 GLN A 43 -5.727 11.003 4.030 1.00 0.86 H new ATOM 0 HB3 GLN A 43 -6.405 9.505 3.425 1.00 0.86 H new ATOM 0 HG2 GLN A 43 -8.622 10.087 4.064 1.00 0.97 H new ATOM 0 HG3 GLN A 43 -8.079 11.271 5.237 1.00 0.97 H new ATOM 0 HE21 GLN A 43 -10.053 11.570 3.052 1.00 2.40 H new ATOM 0 HE22 GLN A 43 -9.463 12.907 2.059 1.00 2.40 H new ATOM 641 N VAL A 44 -3.893 8.733 5.500 1.00 0.51 N ATOM 642 CA VAL A 44 -2.873 7.700 5.412 1.00 0.42 C ATOM 643 C VAL A 44 -2.993 6.740 6.605 1.00 0.46 C ATOM 644 O VAL A 44 -2.977 5.518 6.449 1.00 0.53 O ATOM 645 CB VAL A 44 -1.513 8.411 5.351 1.00 0.44 C ATOM 646 CG1 VAL A 44 -0.350 7.428 5.401 1.00 0.55 C ATOM 647 CG2 VAL A 44 -1.404 9.242 4.064 1.00 0.47 C ATOM 0 H VAL A 44 -3.523 9.680 5.582 1.00 0.51 H new ATOM 0 HA VAL A 44 -2.992 7.086 4.519 1.00 0.42 H new ATOM 0 HB VAL A 44 -1.454 9.059 6.226 1.00 0.44 H new ATOM 0 HG11 VAL A 44 0.591 7.976 5.355 1.00 0.55 H new ATOM 0 HG12 VAL A 44 -0.394 6.859 6.330 1.00 0.55 H new ATOM 0 HG13 VAL A 44 -0.414 6.745 4.554 1.00 0.55 H new ATOM 0 HG21 VAL A 44 -0.435 9.741 4.034 1.00 0.47 H new ATOM 0 HG22 VAL A 44 -1.502 8.587 3.198 1.00 0.47 H new ATOM 0 HG23 VAL A 44 -2.197 9.989 4.045 1.00 0.47 H new ATOM 657 N LYS A 45 -3.134 7.293 7.809 1.00 0.49 N ATOM 658 CA LYS A 45 -3.316 6.508 9.020 1.00 0.58 C ATOM 659 C LYS A 45 -4.629 5.717 8.940 1.00 0.70 C ATOM 660 O LYS A 45 -4.704 4.569 9.384 1.00 0.77 O ATOM 661 CB LYS A 45 -3.245 7.453 10.225 1.00 0.62 C ATOM 662 CG LYS A 45 -2.849 6.755 11.535 1.00 0.74 C ATOM 663 CD LYS A 45 -1.767 7.605 12.218 1.00 1.72 C ATOM 664 CE LYS A 45 -1.302 7.016 13.555 1.00 2.06 C ATOM 665 NZ LYS A 45 -0.133 7.753 14.080 1.00 3.08 N ATOM 0 H LYS A 45 -3.125 8.300 7.968 1.00 0.49 H new ATOM 0 HA LYS A 45 -2.525 5.767 9.134 1.00 0.58 H new ATOM 0 HB2 LYS A 45 -2.526 8.244 10.013 1.00 0.62 H new ATOM 0 HB3 LYS A 45 -4.215 7.932 10.358 1.00 0.62 H new ATOM 0 HG2 LYS A 45 -3.716 6.647 12.186 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -2.474 5.751 11.334 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -0.910 7.699 11.550 1.00 1.72 H new ATOM 0 HD3 LYS A 45 -2.153 8.611 12.384 1.00 1.72 H new ATOM 0 HE2 LYS A 45 -2.117 7.057 14.278 1.00 2.06 H new ATOM 0 HE3 LYS A 45 -1.045 5.965 13.424 1.00 2.06 H new ATOM 0 HZ1 LYS A 45 0.163 7.335 14.985 1.00 3.08 H new ATOM 0 HZ2 LYS A 45 0.650 7.692 13.399 1.00 3.08 H new ATOM 0 HZ3 LYS A 45 -0.388 8.751 14.226 1.00 3.08 H new ATOM 679 N ASP A 46 -5.656 6.324 8.340 1.00 0.79 N ATOM 680 CA ASP A 46 -6.917 5.652 8.079 1.00 0.95 C ATOM 681 C ASP A 46 -6.721 4.457 7.134 1.00 0.99 C ATOM 682 O ASP A 46 -7.111 3.341 7.471 1.00 1.05 O ATOM 683 CB ASP A 46 -7.944 6.659 7.551 1.00 1.03 C ATOM 684 CG ASP A 46 -9.360 6.163 7.772 1.00 1.99 C ATOM 685 OD1 ASP A 46 -9.728 6.007 8.955 1.00 2.73 O ATOM 686 OD2 ASP A 46 -10.049 5.962 6.752 1.00 3.12 O ATOM 0 H ASP A 46 -5.630 7.294 8.025 1.00 0.79 H new ATOM 0 HA ASP A 46 -7.306 5.243 9.012 1.00 0.95 H new ATOM 0 HB2 ASP A 46 -7.809 7.617 8.052 1.00 1.03 H new ATOM 0 HB3 ASP A 46 -7.777 6.829 6.487 1.00 1.03 H new ATOM 691 N VAL A 47 -6.080 4.656 5.971 1.00 1.01 N ATOM 692 CA VAL A 47 -5.853 3.586 5.001 1.00 1.10 C ATOM 693 C VAL A 47 -5.078 2.448 5.675 1.00 1.08 C ATOM 694 O VAL A 47 -5.475 1.287 5.594 1.00 1.17 O ATOM 695 CB VAL A 47 -5.248 4.046 3.648 1.00 1.15 C ATOM 696 CG1 VAL A 47 -5.774 5.389 3.120 1.00 1.28 C ATOM 697 CG2 VAL A 47 -3.721 4.030 3.529 1.00 1.36 C ATOM 0 H VAL A 47 -5.708 5.561 5.683 1.00 1.01 H new ATOM 0 HA VAL A 47 -6.829 3.209 4.696 1.00 1.10 H new ATOM 0 HB VAL A 47 -5.622 3.244 3.012 1.00 1.15 H new ATOM 0 HG11 VAL A 47 -5.291 5.621 2.171 1.00 1.28 H new ATOM 0 HG12 VAL A 47 -6.852 5.325 2.972 1.00 1.28 H new ATOM 0 HG13 VAL A 47 -5.553 6.175 3.842 1.00 1.28 H new ATOM 0 HG21 VAL A 47 -3.430 4.373 2.536 1.00 1.36 H new ATOM 0 HG22 VAL A 47 -3.290 4.690 4.282 1.00 1.36 H new ATOM 0 HG23 VAL A 47 -3.355 3.015 3.684 1.00 1.36 H new ATOM 707 N PHE A 48 -4.008 2.802 6.393 1.00 0.97 N ATOM 708 CA PHE A 48 -3.258 1.893 7.253 1.00 0.94 C ATOM 709 C PHE A 48 -4.205 1.002 8.081 1.00 0.93 C ATOM 710 O PHE A 48 -4.176 -0.223 7.940 1.00 0.94 O ATOM 711 CB PHE A 48 -2.266 2.717 8.082 1.00 0.81 C ATOM 712 CG PHE A 48 -1.653 1.994 9.254 1.00 1.80 C ATOM 713 CD1 PHE A 48 -0.526 1.172 9.082 1.00 2.90 C ATOM 714 CD2 PHE A 48 -2.269 2.086 10.513 1.00 2.99 C ATOM 715 CE1 PHE A 48 -0.056 0.406 10.161 1.00 4.03 C ATOM 716 CE2 PHE A 48 -1.883 1.221 11.548 1.00 4.31 C ATOM 717 CZ PHE A 48 -0.786 0.363 11.359 1.00 4.54 C ATOM 0 H PHE A 48 -3.634 3.751 6.390 1.00 0.97 H new ATOM 0 HA PHE A 48 -2.675 1.187 6.661 1.00 0.94 H new ATOM 0 HB2 PHE A 48 -1.465 3.058 7.427 1.00 0.81 H new ATOM 0 HB3 PHE A 48 -2.776 3.607 8.451 1.00 0.81 H new ATOM 0 HD1 PHE A 48 -0.025 1.130 8.126 1.00 2.90 H new ATOM 0 HD2 PHE A 48 -3.040 2.823 10.684 1.00 2.99 H new ATOM 0 HE1 PHE A 48 0.866 -0.149 10.069 1.00 4.03 H new ATOM 0 HE2 PHE A 48 -2.424 1.215 12.482 1.00 4.31 H new ATOM 0 HZ PHE A 48 -0.504 -0.331 12.137 1.00 4.54 H new ATOM 727 N ARG A 49 -5.085 1.593 8.901 1.00 0.95 N ATOM 728 CA ARG A 49 -6.033 0.805 9.693 1.00 0.98 C ATOM 729 C ARG A 49 -7.028 0.024 8.827 1.00 0.83 C ATOM 730 O ARG A 49 -7.390 -1.094 9.187 1.00 0.87 O ATOM 731 CB ARG A 49 -6.762 1.669 10.732 1.00 1.13 C ATOM 732 CG ARG A 49 -5.857 1.906 11.948 1.00 1.64 C ATOM 733 CD ARG A 49 -6.495 2.822 12.994 1.00 1.83 C ATOM 734 NE ARG A 49 -7.571 2.153 13.747 1.00 2.17 N ATOM 735 CZ ARG A 49 -8.274 2.739 14.728 1.00 2.33 C ATOM 736 NH1 ARG A 49 -8.062 4.028 15.019 1.00 2.29 N ATOM 737 NH2 ARG A 49 -9.173 2.033 15.419 1.00 3.29 N ATOM 0 H ARG A 49 -5.159 2.602 9.031 1.00 0.95 H new ATOM 0 HA ARG A 49 -5.437 0.066 10.229 1.00 0.98 H new ATOM 0 HB2 ARG A 49 -7.046 2.623 10.288 1.00 1.13 H new ATOM 0 HB3 ARG A 49 -7.683 1.177 11.045 1.00 1.13 H new ATOM 0 HG2 ARG A 49 -5.618 0.948 12.409 1.00 1.64 H new ATOM 0 HG3 ARG A 49 -4.916 2.343 11.615 1.00 1.64 H new ATOM 0 HD2 ARG A 49 -5.728 3.165 13.689 1.00 1.83 H new ATOM 0 HD3 ARG A 49 -6.897 3.707 12.501 1.00 1.83 H new ATOM 0 HE ARG A 49 -7.794 1.187 13.508 1.00 2.17 H new ATOM 0 HH11 ARG A 49 -7.368 4.562 14.496 1.00 2.29 H new ATOM 0 HH12 ARG A 49 -8.595 4.477 15.764 1.00 2.29 H new ATOM 0 HH21 ARG A 49 -9.325 1.048 15.201 1.00 3.29 H new ATOM 0 HH22 ARG A 49 -9.707 2.479 16.165 1.00 3.29 H new ATOM 751 N PHE A 50 -7.478 0.583 7.699 1.00 0.73 N ATOM 752 CA PHE A 50 -8.360 -0.127 6.774 1.00 0.67 C ATOM 753 C PHE A 50 -7.708 -1.445 6.355 1.00 0.66 C ATOM 754 O PHE A 50 -8.375 -2.478 6.310 1.00 0.67 O ATOM 755 CB PHE A 50 -8.685 0.721 5.531 1.00 0.91 C ATOM 756 CG PHE A 50 -10.070 1.343 5.493 1.00 1.24 C ATOM 757 CD1 PHE A 50 -11.128 0.654 4.866 1.00 2.09 C ATOM 758 CD2 PHE A 50 -10.275 2.654 5.960 1.00 2.74 C ATOM 759 CE1 PHE A 50 -12.373 1.283 4.684 1.00 2.71 C ATOM 760 CE2 PHE A 50 -11.524 3.276 5.787 1.00 3.59 C ATOM 761 CZ PHE A 50 -12.569 2.599 5.138 1.00 3.16 C ATOM 0 H PHE A 50 -7.243 1.531 7.406 1.00 0.73 H new ATOM 0 HA PHE A 50 -9.299 -0.327 7.289 1.00 0.67 H new ATOM 0 HB2 PHE A 50 -7.947 1.520 5.458 1.00 0.91 H new ATOM 0 HB3 PHE A 50 -8.565 0.095 4.647 1.00 0.91 H new ATOM 0 HD1 PHE A 50 -10.982 -0.360 4.524 1.00 2.09 H new ATOM 0 HD2 PHE A 50 -9.472 3.183 6.452 1.00 2.74 H new ATOM 0 HE1 PHE A 50 -13.178 0.755 4.195 1.00 2.71 H new ATOM 0 HE2 PHE A 50 -11.680 4.279 6.155 1.00 3.59 H new ATOM 0 HZ PHE A 50 -13.520 3.088 4.988 1.00 3.16 H new ATOM 771 N ILE A 51 -6.412 -1.415 6.024 1.00 0.79 N ATOM 772 CA ILE A 51 -5.715 -2.644 5.684 1.00 0.96 C ATOM 773 C ILE A 51 -5.506 -3.541 6.905 1.00 0.86 C ATOM 774 O ILE A 51 -5.780 -4.741 6.795 1.00 1.41 O ATOM 775 CB ILE A 51 -4.437 -2.406 4.866 1.00 1.35 C ATOM 776 CG1 ILE A 51 -4.774 -1.998 3.419 1.00 1.97 C ATOM 777 CG2 ILE A 51 -3.633 -3.712 4.795 1.00 1.65 C ATOM 778 CD1 ILE A 51 -4.814 -0.488 3.226 1.00 1.52 C ATOM 0 H ILE A 51 -5.842 -0.570 5.987 1.00 0.79 H new ATOM 0 HA ILE A 51 -6.371 -3.199 5.014 1.00 0.96 H new ATOM 0 HB ILE A 51 -3.871 -1.611 5.352 1.00 1.35 H new ATOM 0 HG12 ILE A 51 -4.033 -2.427 2.744 1.00 1.97 H new ATOM 0 HG13 ILE A 51 -5.740 -2.421 3.143 1.00 1.97 H new ATOM 0 HG21 ILE A 51 -2.724 -3.549 4.215 1.00 1.65 H new ATOM 0 HG22 ILE A 51 -3.368 -4.031 5.803 1.00 1.65 H new ATOM 0 HG23 ILE A 51 -4.235 -4.484 4.316 1.00 1.65 H new ATOM 0 HD11 ILE A 51 -5.056 -0.260 2.188 1.00 1.52 H new ATOM 0 HD12 ILE A 51 -5.574 -0.058 3.879 1.00 1.52 H new ATOM 0 HD13 ILE A 51 -3.841 -0.064 3.473 1.00 1.52 H new ATOM 790 N ASP A 52 -5.014 -2.994 8.027 1.00 0.83 N ATOM 791 CA ASP A 52 -4.732 -3.760 9.246 1.00 0.82 C ATOM 792 C ASP A 52 -6.039 -4.211 9.910 1.00 1.07 C ATOM 793 O ASP A 52 -6.404 -3.752 10.989 1.00 1.90 O ATOM 794 CB ASP A 52 -3.833 -2.952 10.205 1.00 0.81 C ATOM 795 CG ASP A 52 -3.264 -3.791 11.348 1.00 0.85 C ATOM 796 OD1 ASP A 52 -2.934 -4.972 11.114 1.00 1.21 O ATOM 797 OD2 ASP A 52 -3.096 -3.260 12.467 1.00 1.77 O ATOM 0 H ASP A 52 -4.800 -2.000 8.112 1.00 0.83 H new ATOM 0 HA ASP A 52 -4.179 -4.660 8.978 1.00 0.82 H new ATOM 0 HB2 ASP A 52 -3.010 -2.515 9.639 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -4.408 -2.125 10.621 1.00 0.81 H new ATOM 802 N ASN A 53 -6.748 -5.127 9.248 1.00 0.74 N ATOM 803 CA ASN A 53 -8.040 -5.676 9.634 1.00 0.89 C ATOM 804 C ASN A 53 -7.977 -6.292 11.027 1.00 0.94 C ATOM 805 O ASN A 53 -8.891 -6.130 11.830 1.00 1.71 O ATOM 806 CB ASN A 53 -8.436 -6.729 8.595 1.00 1.10 C ATOM 807 CG ASN A 53 -9.696 -7.495 8.988 1.00 1.48 C ATOM 808 OD1 ASN A 53 -10.791 -6.948 8.953 1.00 2.16 O ATOM 809 ND2 ASN A 53 -9.561 -8.778 9.307 1.00 1.53 N ATOM 0 H ASN A 53 -6.410 -5.528 8.373 1.00 0.74 H new ATOM 0 HA ASN A 53 -8.785 -4.881 9.667 1.00 0.89 H new ATOM 0 HB2 ASN A 53 -8.596 -6.243 7.633 1.00 1.10 H new ATOM 0 HB3 ASN A 53 -7.614 -7.432 8.464 1.00 1.10 H new ATOM 0 HD21 ASN A 53 -10.384 -9.337 9.532 1.00 1.53 H new ATOM 0 HD22 ASN A 53 -8.634 -9.204 9.327 1.00 1.53 H new ATOM 816 N ASP A 54 -6.880 -6.998 11.304 1.00 0.75 N ATOM 817 CA ASP A 54 -6.589 -7.581 12.601 1.00 0.82 C ATOM 818 C ASP A 54 -6.318 -6.510 13.669 1.00 0.96 C ATOM 819 O ASP A 54 -6.347 -6.827 14.855 1.00 1.40 O ATOM 820 CB ASP A 54 -5.415 -8.564 12.453 1.00 1.00 C ATOM 821 CG ASP A 54 -4.185 -7.938 11.811 1.00 1.23 C ATOM 822 OD1 ASP A 54 -4.283 -7.446 10.670 1.00 2.29 O ATOM 823 OD2 ASP A 54 -3.102 -7.930 12.431 1.00 2.01 O ATOM 0 H ASP A 54 -6.155 -7.181 10.610 1.00 0.75 H new ATOM 0 HA ASP A 54 -7.466 -8.126 12.951 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -5.147 -8.950 13.436 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -5.736 -9.416 11.853 1.00 1.00 H new ATOM 828 N GLN A 55 -6.080 -5.253 13.268 1.00 0.74 N ATOM 829 CA GLN A 55 -5.790 -4.129 14.151 1.00 0.92 C ATOM 830 C GLN A 55 -4.694 -4.505 15.147 1.00 1.02 C ATOM 831 O GLN A 55 -4.862 -4.409 16.362 1.00 1.41 O ATOM 832 CB GLN A 55 -7.082 -3.575 14.786 1.00 1.10 C ATOM 833 CG GLN A 55 -7.665 -2.451 13.915 1.00 1.83 C ATOM 834 CD GLN A 55 -8.855 -1.756 14.566 1.00 2.09 C ATOM 835 OE1 GLN A 55 -8.891 -0.527 14.657 1.00 2.84 O ATOM 836 NE2 GLN A 55 -9.838 -2.521 15.030 1.00 2.29 N ATOM 0 H GLN A 55 -6.086 -4.988 12.283 1.00 0.74 H new ATOM 0 HA GLN A 55 -5.387 -3.298 13.572 1.00 0.92 H new ATOM 0 HB2 GLN A 55 -7.813 -4.376 14.896 1.00 1.10 H new ATOM 0 HB3 GLN A 55 -6.871 -3.197 15.786 1.00 1.10 H new ATOM 0 HG2 GLN A 55 -6.887 -1.715 13.711 1.00 1.83 H new ATOM 0 HG3 GLN A 55 -7.972 -2.864 12.954 1.00 1.83 H new ATOM 0 HE21 GLN A 55 -9.780 -3.535 14.940 1.00 2.29 H new ATOM 0 HE22 GLN A 55 -10.650 -2.094 15.476 1.00 2.29 H new ATOM 845 N SER A 56 -3.543 -4.908 14.607 1.00 0.94 N ATOM 846 CA SER A 56 -2.363 -5.230 15.392 1.00 1.09 C ATOM 847 C SER A 56 -1.499 -3.982 15.589 1.00 1.14 C ATOM 848 O SER A 56 -0.624 -3.970 16.452 1.00 1.55 O ATOM 849 CB SER A 56 -1.582 -6.346 14.694 1.00 1.09 C ATOM 850 OG SER A 56 -1.101 -5.913 13.430 1.00 1.12 O ATOM 0 H SER A 56 -3.408 -5.019 13.602 1.00 0.94 H new ATOM 0 HA SER A 56 -2.662 -5.580 16.380 1.00 1.09 H new ATOM 0 HB2 SER A 56 -0.745 -6.656 15.320 1.00 1.09 H new ATOM 0 HB3 SER A 56 -2.223 -7.218 14.565 1.00 1.09 H new ATOM 856 N GLY A 57 -1.698 -2.956 14.755 1.00 0.96 N ATOM 857 CA GLY A 57 -0.816 -1.807 14.679 1.00 1.12 C ATOM 858 C GLY A 57 0.410 -2.124 13.822 1.00 0.99 C ATOM 859 O GLY A 57 1.415 -1.420 13.907 1.00 1.35 O ATOM 0 H GLY A 57 -2.487 -2.908 14.110 1.00 0.96 H new ATOM 0 HA2 GLY A 57 -1.352 -0.958 14.256 1.00 1.12 H new ATOM 0 HA3 GLY A 57 -0.500 -1.517 15.681 1.00 1.12 H new ATOM 863 N TYR A 58 0.319 -3.156 12.974 1.00 0.82 N ATOM 864 CA TYR A 58 1.391 -3.573 12.082 1.00 0.77 C ATOM 865 C TYR A 58 0.795 -4.088 10.788 1.00 0.73 C ATOM 866 O TYR A 58 -0.108 -4.924 10.830 1.00 0.67 O ATOM 867 CB TYR A 58 2.286 -4.640 12.728 1.00 0.85 C ATOM 868 CG TYR A 58 3.188 -4.106 13.819 1.00 0.94 C ATOM 869 CD1 TYR A 58 4.437 -3.549 13.483 1.00 2.05 C ATOM 870 CD2 TYR A 58 2.760 -4.107 15.158 1.00 1.93 C ATOM 871 CE1 TYR A 58 5.247 -2.985 14.482 1.00 2.14 C ATOM 872 CE2 TYR A 58 3.565 -3.530 16.155 1.00 2.14 C ATOM 873 CZ TYR A 58 4.804 -2.963 15.814 1.00 1.44 C ATOM 874 OH TYR A 58 5.602 -2.424 16.780 1.00 1.76 O ATOM 0 H TYR A 58 -0.520 -3.731 12.892 1.00 0.82 H new ATOM 0 HA TYR A 58 2.022 -2.709 11.875 1.00 0.77 H new ATOM 0 HB2 TYR A 58 1.655 -5.426 13.144 1.00 0.85 H new ATOM 0 HB3 TYR A 58 2.901 -5.101 11.955 1.00 0.85 H new ATOM 0 HD1 TYR A 58 4.772 -3.556 12.456 1.00 2.05 H new ATOM 0 HD2 TYR A 58 1.812 -4.552 15.421 1.00 1.93 H new ATOM 0 HE1 TYR A 58 6.210 -2.569 14.226 1.00 2.14 H new ATOM 0 HE2 TYR A 58 3.231 -3.523 17.182 1.00 2.14 H new ATOM 0 HH TYR A 58 5.151 -2.484 17.648 1.00 1.76 H new ATOM 884 N LEU A 59 1.334 -3.601 9.668 1.00 0.79 N ATOM 885 CA LEU A 59 1.215 -4.223 8.362 1.00 0.68 C ATOM 886 C LEU A 59 2.217 -5.371 8.390 1.00 0.59 C ATOM 887 O LEU A 59 3.358 -5.254 7.941 1.00 0.68 O ATOM 888 CB LEU A 59 1.514 -3.196 7.256 1.00 0.72 C ATOM 889 CG LEU A 59 0.310 -2.336 6.821 1.00 1.03 C ATOM 890 CD1 LEU A 59 -0.424 -2.978 5.645 1.00 1.88 C ATOM 891 CD2 LEU A 59 -0.713 -2.080 7.929 1.00 1.61 C ATOM 0 H LEU A 59 1.879 -2.739 9.652 1.00 0.79 H new ATOM 0 HA LEU A 59 0.212 -4.591 8.148 1.00 0.68 H new ATOM 0 HB2 LEU A 59 2.308 -2.534 7.601 1.00 0.72 H new ATOM 0 HB3 LEU A 59 1.897 -3.725 6.384 1.00 0.72 H new ATOM 0 HG LEU A 59 0.746 -1.377 6.541 1.00 1.03 H new ATOM 0 HD11 LEU A 59 -1.269 -2.352 5.358 1.00 1.88 H new ATOM 0 HD12 LEU A 59 0.258 -3.077 4.801 1.00 1.88 H new ATOM 0 HD13 LEU A 59 -0.786 -3.964 5.936 1.00 1.88 H new ATOM 0 HD21 LEU A 59 -1.526 -1.468 7.539 1.00 1.61 H new ATOM 0 HD22 LEU A 59 -1.112 -3.031 8.283 1.00 1.61 H new ATOM 0 HD23 LEU A 59 -0.231 -1.558 8.756 1.00 1.61 H new ATOM 903 N ASP A 60 1.773 -6.464 9.002 1.00 0.66 N ATOM 904 CA ASP A 60 2.443 -7.752 8.949 1.00 0.69 C ATOM 905 C ASP A 60 2.343 -8.287 7.507 1.00 0.65 C ATOM 906 O ASP A 60 1.605 -7.738 6.687 1.00 0.72 O ATOM 907 CB ASP A 60 1.822 -8.704 9.988 1.00 0.84 C ATOM 908 CG ASP A 60 1.571 -8.041 11.342 1.00 1.04 C ATOM 909 OD1 ASP A 60 2.564 -7.845 12.072 1.00 2.01 O ATOM 910 OD2 ASP A 60 0.392 -7.699 11.621 1.00 2.63 O ATOM 0 H ASP A 60 0.919 -6.476 9.560 1.00 0.66 H new ATOM 0 HA ASP A 60 3.499 -7.663 9.204 1.00 0.69 H new ATOM 0 HB2 ASP A 60 0.879 -9.089 9.600 1.00 0.84 H new ATOM 0 HB3 ASP A 60 2.483 -9.560 10.127 1.00 0.84 H new ATOM 915 N GLU A 61 3.115 -9.326 7.162 1.00 0.79 N ATOM 916 CA GLU A 61 3.226 -9.812 5.798 1.00 0.83 C ATOM 917 C GLU A 61 1.859 -10.113 5.174 1.00 0.83 C ATOM 918 O GLU A 61 1.575 -9.700 4.050 1.00 0.73 O ATOM 919 CB GLU A 61 4.153 -11.046 5.752 1.00 1.12 C ATOM 920 CG GLU A 61 5.021 -10.995 4.489 1.00 1.73 C ATOM 921 CD GLU A 61 5.337 -12.360 3.889 1.00 2.66 C ATOM 922 OE1 GLU A 61 4.373 -13.131 3.692 1.00 3.89 O ATOM 923 OE2 GLU A 61 6.537 -12.597 3.629 1.00 2.95 O ATOM 0 H GLU A 61 3.679 -9.849 7.831 1.00 0.79 H new ATOM 0 HA GLU A 61 3.668 -9.019 5.195 1.00 0.83 H new ATOM 0 HB2 GLU A 61 4.786 -11.070 6.639 1.00 1.12 H new ATOM 0 HB3 GLU A 61 3.559 -11.960 5.760 1.00 1.12 H new ATOM 0 HG2 GLU A 61 4.514 -10.390 3.738 1.00 1.73 H new ATOM 0 HG3 GLU A 61 5.957 -10.490 4.726 1.00 1.73 H new ATOM 930 N GLU A 62 1.011 -10.840 5.903 1.00 1.07 N ATOM 931 CA GLU A 62 -0.244 -11.334 5.361 1.00 1.18 C ATOM 932 C GLU A 62 -1.131 -10.194 4.865 1.00 1.08 C ATOM 933 O GLU A 62 -1.732 -10.312 3.802 1.00 1.10 O ATOM 934 CB GLU A 62 -0.982 -12.284 6.310 1.00 1.62 C ATOM 935 CG GLU A 62 -0.376 -12.374 7.708 1.00 2.94 C ATOM 936 CD GLU A 62 -1.133 -13.351 8.602 1.00 3.62 C ATOM 937 OE1 GLU A 62 -2.200 -13.830 8.156 1.00 3.87 O ATOM 938 OE2 GLU A 62 -0.611 -13.629 9.702 1.00 4.77 O ATOM 0 H GLU A 62 1.177 -11.098 6.876 1.00 1.07 H new ATOM 0 HA GLU A 62 0.015 -11.940 4.493 1.00 1.18 H new ATOM 0 HB2 GLU A 62 -2.019 -11.959 6.397 1.00 1.62 H new ATOM 0 HB3 GLU A 62 -0.996 -13.280 5.869 1.00 1.62 H new ATOM 0 HG2 GLU A 62 0.665 -12.686 7.631 1.00 2.94 H new ATOM 0 HG3 GLU A 62 -0.379 -11.386 8.168 1.00 2.94 H new ATOM 945 N GLU A 63 -1.181 -9.068 5.574 1.00 1.12 N ATOM 946 CA GLU A 63 -1.886 -7.889 5.098 1.00 1.22 C ATOM 947 C GLU A 63 -1.447 -7.476 3.702 1.00 0.98 C ATOM 948 O GLU A 63 -2.273 -7.038 2.908 1.00 1.08 O ATOM 949 CB GLU A 63 -1.715 -6.707 6.045 1.00 1.54 C ATOM 950 CG GLU A 63 -2.378 -6.954 7.398 1.00 1.74 C ATOM 951 CD GLU A 63 -1.426 -7.648 8.338 1.00 1.35 C ATOM 952 OE1 GLU A 63 -1.237 -8.871 8.208 1.00 2.38 O ATOM 953 OE2 GLU A 63 -0.905 -6.928 9.212 1.00 2.04 O ATOM 0 H GLU A 63 -0.737 -8.951 6.485 1.00 1.12 H new ATOM 0 HA GLU A 63 -2.939 -8.170 5.062 1.00 1.22 H new ATOM 0 HB2 GLU A 63 -0.653 -6.512 6.193 1.00 1.54 H new ATOM 0 HB3 GLU A 63 -2.143 -5.814 5.590 1.00 1.54 H new ATOM 0 HG2 GLU A 63 -2.698 -6.006 7.831 1.00 1.74 H new ATOM 0 HG3 GLU A 63 -3.273 -7.562 7.265 1.00 1.74 H new ATOM 960 N LEU A 64 -0.161 -7.611 3.381 1.00 0.85 N ATOM 961 CA LEU A 64 0.316 -7.301 2.044 1.00 0.94 C ATOM 962 C LEU A 64 -0.244 -8.302 1.040 1.00 0.87 C ATOM 963 O LEU A 64 -0.478 -7.946 -0.110 1.00 1.20 O ATOM 964 CB LEU A 64 1.842 -7.246 1.999 1.00 1.10 C ATOM 965 CG LEU A 64 2.428 -6.402 3.138 1.00 1.27 C ATOM 966 CD1 LEU A 64 3.940 -6.332 2.968 1.00 2.34 C ATOM 967 CD2 LEU A 64 1.867 -4.975 3.171 1.00 1.91 C ATOM 0 H LEU A 64 0.561 -7.931 4.027 1.00 0.85 H new ATOM 0 HA LEU A 64 -0.044 -6.310 1.768 1.00 0.94 H new ATOM 0 HB2 LEU A 64 2.242 -8.258 2.057 1.00 1.10 H new ATOM 0 HB3 LEU A 64 2.160 -6.832 1.042 1.00 1.10 H new ATOM 0 HG LEU A 64 2.152 -6.882 4.077 1.00 1.27 H new ATOM 0 HD11 LEU A 64 4.369 -5.734 3.772 1.00 2.34 H new ATOM 0 HD12 LEU A 64 4.357 -7.339 3.002 1.00 2.34 H new ATOM 0 HD13 LEU A 64 4.177 -5.873 2.008 1.00 2.34 H new ATOM 0 HD21 LEU A 64 2.318 -4.426 3.997 1.00 1.91 H new ATOM 0 HD22 LEU A 64 2.097 -4.472 2.232 1.00 1.91 H new ATOM 0 HD23 LEU A 64 0.786 -5.012 3.307 1.00 1.91 H new ATOM 979 N LYS A 65 -0.512 -9.533 1.484 1.00 0.72 N ATOM 980 CA LYS A 65 -1.235 -10.524 0.706 1.00 0.85 C ATOM 981 C LYS A 65 -2.714 -10.136 0.543 1.00 0.81 C ATOM 982 O LYS A 65 -3.435 -10.850 -0.151 1.00 1.22 O ATOM 983 CB LYS A 65 -1.078 -11.912 1.350 1.00 0.99 C ATOM 984 CG LYS A 65 -1.271 -13.063 0.355 1.00 1.28 C ATOM 985 CD LYS A 65 -1.068 -14.433 1.022 1.00 1.60 C ATOM 986 CE LYS A 65 -2.017 -14.640 2.218 1.00 2.04 C ATOM 987 NZ LYS A 65 -2.031 -16.039 2.689 1.00 2.50 N ATOM 0 H LYS A 65 -0.227 -9.866 2.405 1.00 0.72 H new ATOM 0 HA LYS A 65 -0.807 -10.562 -0.296 1.00 0.85 H new ATOM 0 HB2 LYS A 65 -0.087 -11.988 1.797 1.00 0.99 H new ATOM 0 HB3 LYS A 65 -1.801 -12.014 2.159 1.00 0.99 H new ATOM 0 HG2 LYS A 65 -2.273 -13.011 -0.071 1.00 1.28 H new ATOM 0 HG3 LYS A 65 -0.567 -12.952 -0.470 1.00 1.28 H new ATOM 0 HD2 LYS A 65 -1.233 -15.222 0.288 1.00 1.60 H new ATOM 0 HD3 LYS A 65 -0.035 -14.522 1.359 1.00 1.60 H new ATOM 0 HE2 LYS A 65 -1.714 -13.987 3.036 1.00 2.04 H new ATOM 0 HE3 LYS A 65 -3.027 -14.345 1.932 1.00 2.04 H new ATOM 0 HZ1 LYS A 65 -2.684 -16.128 3.494 1.00 2.50 H new ATOM 0 HZ2 LYS A 65 -2.346 -16.662 1.918 1.00 2.50 H new ATOM 0 HZ3 LYS A 65 -1.074 -16.314 2.987 1.00 2.50 H new ATOM 1001 N PHE A 66 -3.185 -9.025 1.133 1.00 0.56 N ATOM 1002 CA PHE A 66 -4.484 -8.454 0.788 1.00 0.62 C ATOM 1003 C PHE A 66 -4.547 -6.920 0.915 1.00 0.68 C ATOM 1004 O PHE A 66 -5.546 -6.386 1.399 1.00 0.94 O ATOM 1005 CB PHE A 66 -5.600 -9.156 1.589 1.00 0.83 C ATOM 1006 CG PHE A 66 -5.385 -9.298 3.094 1.00 1.82 C ATOM 1007 CD1 PHE A 66 -5.593 -8.214 3.973 1.00 3.52 C ATOM 1008 CD2 PHE A 66 -5.009 -10.548 3.620 1.00 2.46 C ATOM 1009 CE1 PHE A 66 -5.473 -8.393 5.365 1.00 5.06 C ATOM 1010 CE2 PHE A 66 -4.863 -10.720 5.008 1.00 4.01 C ATOM 1011 CZ PHE A 66 -5.105 -9.647 5.881 1.00 5.15 C ATOM 0 H PHE A 66 -2.679 -8.508 1.852 1.00 0.56 H new ATOM 0 HA PHE A 66 -4.643 -8.644 -0.274 1.00 0.62 H new ATOM 0 HB2 PHE A 66 -6.529 -8.608 1.429 1.00 0.83 H new ATOM 0 HB3 PHE A 66 -5.742 -10.153 1.171 1.00 0.83 H new ATOM 0 HD1 PHE A 66 -5.846 -7.242 3.576 1.00 3.52 H new ATOM 0 HD2 PHE A 66 -4.832 -11.380 2.954 1.00 2.46 H new ATOM 0 HE1 PHE A 66 -5.664 -7.567 6.035 1.00 5.06 H new ATOM 0 HE2 PHE A 66 -4.564 -11.679 5.404 1.00 4.01 H new ATOM 0 HZ PHE A 66 -5.008 -9.786 6.948 1.00 5.15 H new ATOM 1021 N PHE A 67 -3.535 -6.184 0.445 1.00 0.68 N ATOM 1022 CA PHE A 67 -3.429 -4.740 0.669 1.00 0.68 C ATOM 1023 C PHE A 67 -4.475 -3.989 -0.172 1.00 0.67 C ATOM 1024 O PHE A 67 -5.459 -3.473 0.359 1.00 0.75 O ATOM 1025 CB PHE A 67 -1.964 -4.306 0.444 1.00 0.71 C ATOM 1026 CG PHE A 67 -1.665 -2.821 0.314 1.00 0.86 C ATOM 1027 CD1 PHE A 67 -1.656 -1.994 1.451 1.00 1.82 C ATOM 1028 CD2 PHE A 67 -1.178 -2.315 -0.907 1.00 2.19 C ATOM 1029 CE1 PHE A 67 -1.339 -0.628 1.335 1.00 1.97 C ATOM 1030 CE2 PHE A 67 -0.794 -0.964 -1.010 1.00 2.28 C ATOM 1031 CZ PHE A 67 -0.912 -0.112 0.100 1.00 1.30 C ATOM 0 H PHE A 67 -2.767 -6.573 -0.101 1.00 0.68 H new ATOM 0 HA PHE A 67 -3.668 -4.476 1.699 1.00 0.68 H new ATOM 0 HB2 PHE A 67 -1.371 -4.693 1.273 1.00 0.71 H new ATOM 0 HB3 PHE A 67 -1.607 -4.798 -0.461 1.00 0.71 H new ATOM 0 HD1 PHE A 67 -1.894 -2.410 2.419 1.00 1.82 H new ATOM 0 HD2 PHE A 67 -1.099 -2.965 -1.766 1.00 2.19 H new ATOM 0 HE1 PHE A 67 -1.424 0.022 2.193 1.00 1.97 H new ATOM 0 HE2 PHE A 67 -0.408 -0.583 -1.944 1.00 2.28 H new ATOM 0 HZ PHE A 67 -0.675 0.937 0.005 1.00 1.30 H new ATOM 1041 N LEU A 68 -4.318 -3.988 -1.495 1.00 0.65 N ATOM 1042 CA LEU A 68 -5.283 -3.436 -2.440 1.00 0.67 C ATOM 1043 C LEU A 68 -6.526 -4.317 -2.583 1.00 0.57 C ATOM 1044 O LEU A 68 -7.512 -3.883 -3.184 1.00 0.64 O ATOM 1045 CB LEU A 68 -4.638 -3.233 -3.819 1.00 0.83 C ATOM 1046 CG LEU A 68 -4.367 -1.767 -4.154 1.00 1.30 C ATOM 1047 CD1 LEU A 68 -3.311 -1.186 -3.211 1.00 2.05 C ATOM 1048 CD2 LEU A 68 -3.930 -1.663 -5.619 1.00 2.00 C ATOM 0 H LEU A 68 -3.494 -4.382 -1.949 1.00 0.65 H new ATOM 0 HA LEU A 68 -5.598 -2.473 -2.037 1.00 0.67 H new ATOM 0 HB2 LEU A 68 -3.699 -3.786 -3.858 1.00 0.83 H new ATOM 0 HB3 LEU A 68 -5.290 -3.658 -4.582 1.00 0.83 H new ATOM 0 HG LEU A 68 -5.277 -1.183 -4.016 1.00 1.30 H new ATOM 0 HD11 LEU A 68 -3.131 -0.141 -3.465 1.00 2.05 H new ATOM 0 HD12 LEU A 68 -3.665 -1.253 -2.182 1.00 2.05 H new ATOM 0 HD13 LEU A 68 -2.383 -1.749 -3.313 1.00 2.05 H new ATOM 0 HD21 LEU A 68 -3.734 -0.620 -5.867 1.00 2.00 H new ATOM 0 HD22 LEU A 68 -3.023 -2.248 -5.771 1.00 2.00 H new ATOM 0 HD23 LEU A 68 -4.721 -2.047 -6.263 1.00 2.00 H new ATOM 1060 N GLN A 69 -6.524 -5.536 -2.032 1.00 0.53 N ATOM 1061 CA GLN A 69 -7.687 -6.417 -2.105 1.00 0.50 C ATOM 1062 C GLN A 69 -8.930 -5.753 -1.494 1.00 0.62 C ATOM 1063 O GLN A 69 -10.057 -6.104 -1.838 1.00 0.91 O ATOM 1064 CB GLN A 69 -7.426 -7.763 -1.411 1.00 0.51 C ATOM 1065 CG GLN A 69 -7.804 -8.980 -2.275 1.00 1.32 C ATOM 1066 CD GLN A 69 -6.599 -9.804 -2.717 1.00 1.21 C ATOM 1067 OE1 GLN A 69 -5.927 -10.401 -1.887 1.00 2.64 O ATOM 1068 NE2 GLN A 69 -6.331 -9.878 -4.018 1.00 1.28 N ATOM 0 H GLN A 69 -5.728 -5.932 -1.531 1.00 0.53 H new ATOM 0 HA GLN A 69 -7.871 -6.605 -3.163 1.00 0.50 H new ATOM 0 HB2 GLN A 69 -6.371 -7.828 -1.147 1.00 0.51 H new ATOM 0 HB3 GLN A 69 -7.991 -7.799 -0.479 1.00 0.51 H new ATOM 0 HG2 GLN A 69 -8.485 -9.618 -1.713 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -8.344 -8.637 -3.157 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -6.909 -9.369 -4.687 1.00 1.28 H new ATOM 0 HE22 GLN A 69 -5.548 -10.443 -4.346 1.00 1.28 H new ATOM 1077 N LYS A 70 -8.708 -4.824 -0.561 1.00 0.63 N ATOM 1078 CA LYS A 70 -9.752 -4.066 0.111 1.00 0.68 C ATOM 1079 C LYS A 70 -10.031 -2.744 -0.619 1.00 0.62 C ATOM 1080 O LYS A 70 -11.056 -2.117 -0.371 1.00 0.94 O ATOM 1081 CB LYS A 70 -9.363 -3.809 1.577 1.00 0.94 C ATOM 1082 CG LYS A 70 -8.339 -4.815 2.129 1.00 1.33 C ATOM 1083 CD LYS A 70 -8.104 -4.591 3.624 1.00 0.99 C ATOM 1084 CE LYS A 70 -9.022 -5.427 4.523 1.00 1.34 C ATOM 1085 NZ LYS A 70 -8.418 -6.738 4.840 1.00 2.67 N ATOM 0 H LYS A 70 -7.770 -4.576 -0.248 1.00 0.63 H new ATOM 0 HA LYS A 70 -10.669 -4.655 0.093 1.00 0.68 H new ATOM 0 HB2 LYS A 70 -8.954 -2.802 1.664 1.00 0.94 H new ATOM 0 HB3 LYS A 70 -10.261 -3.843 2.194 1.00 0.94 H new ATOM 0 HG2 LYS A 70 -8.695 -5.831 1.961 1.00 1.33 H new ATOM 0 HG3 LYS A 70 -7.397 -4.714 1.590 1.00 1.33 H new ATOM 0 HD2 LYS A 70 -7.066 -4.827 3.859 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -8.250 -3.535 3.852 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -9.222 -4.884 5.447 1.00 1.34 H new ATOM 0 HE3 LYS A 70 -9.981 -5.577 4.027 1.00 1.34 H new ATOM 0 HZ1 LYS A 70 -9.170 -7.442 4.981 1.00 2.67 H new ATOM 0 HZ2 LYS A 70 -7.806 -7.038 4.054 1.00 2.67 H new ATOM 0 HZ3 LYS A 70 -7.852 -6.658 5.709 1.00 2.67 H new ATOM 1099 N PHE A 71 -9.113 -2.304 -1.490 1.00 0.60 N ATOM 1100 CA PHE A 71 -9.304 -1.121 -2.317 1.00 0.79 C ATOM 1101 C PHE A 71 -10.136 -1.538 -3.531 1.00 0.90 C ATOM 1102 O PHE A 71 -11.291 -1.153 -3.655 1.00 1.11 O ATOM 1103 CB PHE A 71 -7.957 -0.527 -2.776 1.00 0.86 C ATOM 1104 CG PHE A 71 -7.017 0.080 -1.744 1.00 1.37 C ATOM 1105 CD1 PHE A 71 -7.314 0.077 -0.366 1.00 2.32 C ATOM 1106 CD2 PHE A 71 -5.876 0.772 -2.198 1.00 2.56 C ATOM 1107 CE1 PHE A 71 -6.483 0.768 0.534 1.00 3.01 C ATOM 1108 CE2 PHE A 71 -5.014 1.411 -1.292 1.00 3.13 C ATOM 1109 CZ PHE A 71 -5.323 1.418 0.076 1.00 2.98 C ATOM 0 H PHE A 71 -8.215 -2.766 -1.636 1.00 0.60 H new ATOM 0 HA PHE A 71 -9.812 -0.349 -1.740 1.00 0.79 H new ATOM 0 HB2 PHE A 71 -7.410 -1.316 -3.292 1.00 0.86 H new ATOM 0 HB3 PHE A 71 -8.175 0.245 -3.514 1.00 0.86 H new ATOM 0 HD1 PHE A 71 -8.180 -0.456 -0.001 1.00 2.32 H new ATOM 0 HD2 PHE A 71 -5.662 0.811 -3.256 1.00 2.56 H new ATOM 0 HE1 PHE A 71 -6.737 0.800 1.583 1.00 3.01 H new ATOM 0 HE2 PHE A 71 -4.116 1.895 -1.647 1.00 3.13 H new ATOM 0 HZ PHE A 71 -4.672 1.921 0.776 1.00 2.98 H new ATOM 1119 N GLU A 72 -9.533 -2.335 -4.418 1.00 0.91 N ATOM 1120 CA GLU A 72 -10.129 -2.714 -5.693 1.00 1.19 C ATOM 1121 C GLU A 72 -10.773 -4.091 -5.555 1.00 1.48 C ATOM 1122 O GLU A 72 -11.927 -4.292 -5.921 1.00 3.01 O ATOM 1123 CB GLU A 72 -9.038 -2.699 -6.776 1.00 1.03 C ATOM 1124 CG GLU A 72 -9.585 -2.969 -8.187 1.00 1.08 C ATOM 1125 CD GLU A 72 -10.519 -1.869 -8.682 1.00 2.18 C ATOM 1126 OE1 GLU A 72 -10.144 -0.691 -8.504 1.00 3.42 O ATOM 1127 OE2 GLU A 72 -11.573 -2.229 -9.246 1.00 3.00 O ATOM 0 H GLU A 72 -8.608 -2.737 -4.265 1.00 0.91 H new ATOM 0 HA GLU A 72 -10.907 -2.008 -5.984 1.00 1.19 H new ATOM 0 HB2 GLU A 72 -8.538 -1.731 -6.766 1.00 1.03 H new ATOM 0 HB3 GLU A 72 -8.285 -3.449 -6.535 1.00 1.03 H new ATOM 0 HG2 GLU A 72 -8.751 -3.070 -8.881 1.00 1.08 H new ATOM 0 HG3 GLU A 72 -10.118 -3.920 -8.189 1.00 1.08 H new ATOM 1134 N SER A 73 -10.009 -5.040 -5.004 1.00 1.48 N ATOM 1135 CA SER A 73 -10.365 -6.447 -4.923 1.00 1.42 C ATOM 1136 C SER A 73 -10.031 -7.152 -6.239 1.00 1.33 C ATOM 1137 O SER A 73 -10.654 -6.922 -7.270 1.00 2.81 O ATOM 1138 CB SER A 73 -11.797 -6.686 -4.418 1.00 2.10 C ATOM 1139 OG SER A 73 -11.759 -7.664 -3.397 1.00 3.17 O ATOM 0 H SER A 73 -9.099 -4.836 -4.591 1.00 1.48 H new ATOM 0 HA SER A 73 -9.750 -6.909 -4.151 1.00 1.42 H new ATOM 0 HB2 SER A 73 -12.223 -5.758 -4.037 1.00 2.10 H new ATOM 0 HB3 SER A 73 -12.436 -7.018 -5.236 1.00 2.10 H new ATOM 0 HG SER A 73 -11.198 -7.345 -2.659 1.00 3.17 H new ATOM 1145 N GLY A 74 -8.998 -7.996 -6.184 1.00 1.30 N ATOM 1146 CA GLY A 74 -8.438 -8.694 -7.336 1.00 1.26 C ATOM 1147 C GLY A 74 -7.269 -7.913 -7.939 1.00 0.97 C ATOM 1148 O GLY A 74 -7.035 -7.968 -9.144 1.00 1.23 O ATOM 0 H GLY A 74 -8.517 -8.216 -5.312 1.00 1.30 H new ATOM 0 HA2 GLY A 74 -8.100 -9.686 -7.035 1.00 1.26 H new ATOM 0 HA3 GLY A 74 -9.212 -8.836 -8.090 1.00 1.26 H new ATOM 1152 N ALA A 75 -6.524 -7.205 -7.085 1.00 0.68 N ATOM 1153 CA ALA A 75 -5.273 -6.557 -7.444 1.00 0.70 C ATOM 1154 C ALA A 75 -4.122 -7.562 -7.305 1.00 0.83 C ATOM 1155 O ALA A 75 -4.341 -8.769 -7.407 1.00 1.46 O ATOM 1156 CB ALA A 75 -5.124 -5.310 -6.573 1.00 0.74 C ATOM 0 H ALA A 75 -6.784 -7.068 -6.108 1.00 0.68 H new ATOM 0 HA ALA A 75 -5.258 -6.231 -8.484 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -4.192 -4.802 -6.821 1.00 0.74 H new ATOM 0 HB2 ALA A 75 -5.963 -4.638 -6.754 1.00 0.74 H new ATOM 0 HB3 ALA A 75 -5.111 -5.600 -5.522 1.00 0.74 H new ATOM 1162 N ARG A 76 -2.891 -7.085 -7.116 1.00 0.57 N ATOM 1163 CA ARG A 76 -1.699 -7.895 -7.302 1.00 0.64 C ATOM 1164 C ARG A 76 -1.275 -8.660 -6.049 1.00 0.65 C ATOM 1165 O ARG A 76 -0.252 -9.333 -6.078 1.00 0.90 O ATOM 1166 CB ARG A 76 -0.541 -7.000 -7.737 1.00 0.85 C ATOM 1167 CG ARG A 76 0.436 -7.826 -8.578 1.00 1.08 C ATOM 1168 CD ARG A 76 0.234 -7.543 -10.073 1.00 0.86 C ATOM 1169 NE ARG A 76 1.162 -6.503 -10.536 1.00 1.37 N ATOM 1170 CZ ARG A 76 0.890 -5.328 -11.114 1.00 2.48 C ATOM 1171 NH1 ARG A 76 -0.339 -4.808 -11.157 1.00 3.52 N ATOM 1172 NH2 ARG A 76 1.878 -4.635 -11.671 1.00 3.18 N ATOM 0 H ARG A 76 -2.698 -6.125 -6.830 1.00 0.57 H new ATOM 0 HA ARG A 76 -1.947 -8.634 -8.064 1.00 0.64 H new ATOM 0 HB2 ARG A 76 -0.915 -6.155 -8.315 1.00 0.85 H new ATOM 0 HB3 ARG A 76 -0.033 -6.590 -6.864 1.00 0.85 H new ATOM 0 HG2 ARG A 76 1.461 -7.589 -8.293 1.00 1.08 H new ATOM 0 HG3 ARG A 76 0.288 -8.888 -8.380 1.00 1.08 H new ATOM 0 HD2 ARG A 76 0.390 -8.457 -10.645 1.00 0.86 H new ATOM 0 HD3 ARG A 76 -0.793 -7.226 -10.252 1.00 0.86 H new ATOM 0 HE ARG A 76 2.152 -6.705 -10.397 1.00 1.37 H new ATOM 0 HH11 ARG A 76 -1.121 -5.311 -10.737 1.00 3.52 H new ATOM 0 HH12 ARG A 76 -0.496 -3.908 -11.610 1.00 3.52 H new ATOM 0 HH21 ARG A 76 2.830 -5.001 -11.654 1.00 3.18 H new ATOM 0 HH22 ARG A 76 1.684 -3.737 -12.115 1.00 3.18 H new ATOM 1186 N GLU A 77 -2.021 -8.534 -4.957 1.00 0.69 N ATOM 1187 CA GLU A 77 -1.673 -8.971 -3.605 1.00 0.75 C ATOM 1188 C GLU A 77 -1.012 -10.355 -3.562 1.00 0.58 C ATOM 1189 O GLU A 77 -0.116 -10.630 -2.768 1.00 0.60 O ATOM 1190 CB GLU A 77 -2.928 -8.922 -2.726 1.00 1.01 C ATOM 1191 CG GLU A 77 -3.876 -7.767 -3.081 1.00 1.37 C ATOM 1192 CD GLU A 77 -3.126 -6.467 -3.277 1.00 2.04 C ATOM 1193 OE1 GLU A 77 -2.684 -5.906 -2.256 1.00 2.84 O ATOM 1194 OE2 GLU A 77 -3.002 -6.081 -4.458 1.00 2.86 O ATOM 0 H GLU A 77 -2.942 -8.097 -4.992 1.00 0.69 H new ATOM 0 HA GLU A 77 -0.921 -8.284 -3.217 1.00 0.75 H new ATOM 0 HB2 GLU A 77 -3.466 -9.866 -2.820 1.00 1.01 H new ATOM 0 HB3 GLU A 77 -2.628 -8.829 -1.682 1.00 1.01 H new ATOM 0 HG2 GLU A 77 -4.423 -8.012 -3.991 1.00 1.37 H new ATOM 0 HG3 GLU A 77 -4.614 -7.645 -2.288 1.00 1.37 H new ATOM 1201 N LEU A 78 -1.498 -11.236 -4.430 1.00 0.55 N ATOM 1202 CA LEU A 78 -1.000 -12.585 -4.621 1.00 0.55 C ATOM 1203 C LEU A 78 0.491 -12.601 -5.003 1.00 0.47 C ATOM 1204 O LEU A 78 1.239 -13.412 -4.470 1.00 0.55 O ATOM 1205 CB LEU A 78 -1.835 -13.326 -5.680 1.00 0.72 C ATOM 1206 CG LEU A 78 -3.365 -13.122 -5.640 1.00 0.85 C ATOM 1207 CD1 LEU A 78 -3.953 -13.242 -4.227 1.00 0.98 C ATOM 1208 CD2 LEU A 78 -3.824 -11.819 -6.318 1.00 0.89 C ATOM 0 H LEU A 78 -2.283 -11.016 -5.043 1.00 0.55 H new ATOM 0 HA LEU A 78 -1.098 -13.104 -3.668 1.00 0.55 H new ATOM 0 HB2 LEU A 78 -1.479 -13.022 -6.664 1.00 0.72 H new ATOM 0 HB3 LEU A 78 -1.634 -14.393 -5.584 1.00 0.72 H new ATOM 0 HG LEU A 78 -3.766 -13.947 -6.228 1.00 0.85 H new ATOM 0 HD11 LEU A 78 -5.031 -13.088 -4.267 1.00 0.98 H new ATOM 0 HD12 LEU A 78 -3.742 -14.234 -3.828 1.00 0.98 H new ATOM 0 HD13 LEU A 78 -3.503 -12.488 -3.581 1.00 0.98 H new ATOM 0 HD21 LEU A 78 -4.909 -11.738 -6.254 1.00 0.89 H new ATOM 0 HD22 LEU A 78 -3.367 -10.967 -5.816 1.00 0.89 H new ATOM 0 HD23 LEU A 78 -3.522 -11.828 -7.365 1.00 0.89 H new ATOM 1220 N THR A 79 0.916 -11.743 -5.940 1.00 0.43 N ATOM 1221 CA THR A 79 2.295 -11.659 -6.405 1.00 0.40 C ATOM 1222 C THR A 79 3.214 -11.222 -5.280 1.00 0.34 C ATOM 1223 O THR A 79 3.283 -10.046 -4.909 1.00 0.34 O ATOM 1224 CB THR A 79 2.459 -10.660 -7.548 1.00 0.55 C ATOM 1225 OG1 THR A 79 1.620 -11.006 -8.612 1.00 0.79 O ATOM 1226 CG2 THR A 79 3.890 -10.677 -8.108 1.00 0.81 C ATOM 0 H THR A 79 0.295 -11.078 -6.401 1.00 0.43 H new ATOM 0 HA THR A 79 2.557 -12.657 -6.757 1.00 0.40 H new ATOM 0 HB THR A 79 2.218 -9.677 -7.143 1.00 0.55 H new ATOM 0 HG1 THR A 79 1.731 -10.359 -9.340 1.00 0.79 H new ATOM 0 HG21 THR A 79 3.972 -9.954 -8.920 1.00 0.81 H new ATOM 0 HG22 THR A 79 4.593 -10.415 -7.317 1.00 0.81 H new ATOM 0 HG23 THR A 79 4.122 -11.673 -8.485 1.00 0.81 H new ATOM 1234 N GLU A 80 4.006 -12.170 -4.817 1.00 0.37 N ATOM 1235 CA GLU A 80 4.847 -11.977 -3.661 1.00 0.38 C ATOM 1236 C GLU A 80 5.971 -10.995 -3.974 1.00 0.41 C ATOM 1237 O GLU A 80 6.276 -10.169 -3.126 1.00 0.43 O ATOM 1238 CB GLU A 80 5.358 -13.300 -3.091 1.00 0.50 C ATOM 1239 CG GLU A 80 4.266 -14.379 -2.973 1.00 2.11 C ATOM 1240 CD GLU A 80 4.138 -15.270 -4.209 1.00 2.56 C ATOM 1241 OE1 GLU A 80 4.330 -14.741 -5.329 1.00 3.38 O ATOM 1242 OE2 GLU A 80 3.870 -16.474 -4.008 1.00 3.44 O ATOM 0 H GLU A 80 4.081 -13.097 -5.236 1.00 0.37 H new ATOM 0 HA GLU A 80 4.239 -11.534 -2.872 1.00 0.38 H new ATOM 0 HB2 GLU A 80 6.161 -13.674 -3.726 1.00 0.50 H new ATOM 0 HB3 GLU A 80 5.788 -13.120 -2.106 1.00 0.50 H new ATOM 0 HG2 GLU A 80 4.480 -15.005 -2.107 1.00 2.11 H new ATOM 0 HG3 GLU A 80 3.308 -13.893 -2.787 1.00 2.11 H new ATOM 1249 N SER A 81 6.567 -11.036 -5.174 1.00 0.46 N ATOM 1250 CA SER A 81 7.602 -10.077 -5.563 1.00 0.56 C ATOM 1251 C SER A 81 7.140 -8.639 -5.325 1.00 0.58 C ATOM 1252 O SER A 81 7.820 -7.847 -4.680 1.00 0.61 O ATOM 1253 CB SER A 81 7.967 -10.213 -7.042 1.00 0.57 C ATOM 1254 OG SER A 81 8.290 -11.535 -7.406 1.00 1.32 O ATOM 0 H SER A 81 6.347 -11.727 -5.892 1.00 0.46 H new ATOM 0 HA SER A 81 8.473 -10.299 -4.946 1.00 0.56 H new ATOM 0 HB2 SER A 81 7.132 -9.867 -7.651 1.00 0.57 H new ATOM 0 HB3 SER A 81 8.813 -9.563 -7.264 1.00 0.57 H new ATOM 0 HG SER A 81 8.703 -11.538 -8.295 1.00 1.32 H new ATOM 1260 N GLU A 82 5.969 -8.314 -5.866 1.00 0.61 N ATOM 1261 CA GLU A 82 5.398 -6.986 -5.825 1.00 0.60 C ATOM 1262 C GLU A 82 5.028 -6.630 -4.391 1.00 0.56 C ATOM 1263 O GLU A 82 5.405 -5.570 -3.884 1.00 0.66 O ATOM 1264 CB GLU A 82 4.194 -6.978 -6.763 1.00 0.64 C ATOM 1265 CG GLU A 82 3.469 -5.636 -6.733 1.00 2.38 C ATOM 1266 CD GLU A 82 2.672 -5.421 -8.002 1.00 2.78 C ATOM 1267 OE1 GLU A 82 3.206 -5.717 -9.097 1.00 2.42 O ATOM 1268 OE2 GLU A 82 1.505 -5.007 -7.869 1.00 4.33 O ATOM 0 H GLU A 82 5.382 -8.989 -6.356 1.00 0.61 H new ATOM 0 HA GLU A 82 6.108 -6.229 -6.158 1.00 0.60 H new ATOM 0 HB2 GLU A 82 4.523 -7.192 -7.780 1.00 0.64 H new ATOM 0 HB3 GLU A 82 3.504 -7.772 -6.477 1.00 0.64 H new ATOM 0 HG2 GLU A 82 2.804 -5.597 -5.871 1.00 2.38 H new ATOM 0 HG3 GLU A 82 4.193 -4.830 -6.613 1.00 2.38 H new ATOM 1275 N THR A 83 4.326 -7.549 -3.725 1.00 0.45 N ATOM 1276 CA THR A 83 3.937 -7.367 -2.338 1.00 0.48 C ATOM 1277 C THR A 83 5.185 -7.027 -1.511 1.00 0.59 C ATOM 1278 O THR A 83 5.208 -6.088 -0.715 1.00 0.68 O ATOM 1279 CB THR A 83 3.189 -8.623 -1.839 1.00 0.51 C ATOM 1280 OG1 THR A 83 1.824 -8.310 -1.737 1.00 0.58 O ATOM 1281 CG2 THR A 83 3.666 -9.224 -0.512 1.00 0.72 C ATOM 0 H THR A 83 4.017 -8.431 -4.134 1.00 0.45 H new ATOM 0 HA THR A 83 3.243 -6.533 -2.229 1.00 0.48 H new ATOM 0 HB THR A 83 3.401 -9.396 -2.578 1.00 0.51 H new ATOM 0 HG1 THR A 83 1.290 -9.061 -2.070 1.00 0.58 H new ATOM 0 HG21 THR A 83 3.063 -10.099 -0.271 1.00 0.72 H new ATOM 0 HG22 THR A 83 4.712 -9.518 -0.601 1.00 0.72 H new ATOM 0 HG23 THR A 83 3.563 -8.483 0.281 1.00 0.72 H new ATOM 1289 N LYS A 84 6.246 -7.797 -1.747 1.00 0.56 N ATOM 1290 CA LYS A 84 7.528 -7.683 -1.093 1.00 0.58 C ATOM 1291 C LYS A 84 8.258 -6.411 -1.520 1.00 0.59 C ATOM 1292 O LYS A 84 8.972 -5.841 -0.711 1.00 0.62 O ATOM 1293 CB LYS A 84 8.342 -8.951 -1.362 1.00 0.62 C ATOM 1294 CG LYS A 84 9.693 -8.931 -0.643 1.00 1.65 C ATOM 1295 CD LYS A 84 9.942 -10.274 0.051 1.00 2.04 C ATOM 1296 CE LYS A 84 11.334 -10.290 0.694 1.00 3.33 C ATOM 1297 NZ LYS A 84 11.507 -11.454 1.587 1.00 4.24 N ATOM 0 H LYS A 84 6.223 -8.550 -2.434 1.00 0.56 H new ATOM 0 HA LYS A 84 7.384 -7.595 -0.016 1.00 0.58 H new ATOM 0 HB2 LYS A 84 7.773 -9.822 -1.039 1.00 0.62 H new ATOM 0 HB3 LYS A 84 8.504 -9.056 -2.435 1.00 0.62 H new ATOM 0 HG2 LYS A 84 10.491 -8.729 -1.358 1.00 1.65 H new ATOM 0 HG3 LYS A 84 9.711 -8.125 0.091 1.00 1.65 H new ATOM 0 HD2 LYS A 84 9.180 -10.445 0.812 1.00 2.04 H new ATOM 0 HD3 LYS A 84 9.858 -11.086 -0.672 1.00 2.04 H new ATOM 0 HE2 LYS A 84 12.095 -10.313 -0.086 1.00 3.33 H new ATOM 0 HE3 LYS A 84 11.485 -9.371 1.260 1.00 3.33 H new ATOM 0 HZ1 LYS A 84 12.459 -11.433 2.004 1.00 4.24 H new ATOM 0 HZ2 LYS A 84 10.796 -11.419 2.345 1.00 4.24 H new ATOM 0 HZ3 LYS A 84 11.388 -12.331 1.041 1.00 4.24 H new ATOM 1311 N SER A 85 8.109 -5.949 -2.761 1.00 0.58 N ATOM 1312 CA SER A 85 8.638 -4.665 -3.200 1.00 0.60 C ATOM 1313 C SER A 85 8.041 -3.553 -2.333 1.00 0.53 C ATOM 1314 O SER A 85 8.769 -2.717 -1.794 1.00 0.63 O ATOM 1315 CB SER A 85 8.348 -4.447 -4.693 1.00 0.65 C ATOM 1316 OG SER A 85 9.122 -3.371 -5.184 1.00 1.64 O ATOM 0 H SER A 85 7.614 -6.461 -3.492 1.00 0.58 H new ATOM 0 HA SER A 85 9.721 -4.649 -3.080 1.00 0.60 H new ATOM 0 HB2 SER A 85 8.576 -5.354 -5.252 1.00 0.65 H new ATOM 0 HB3 SER A 85 7.288 -4.240 -4.839 1.00 0.65 H new ATOM 0 HG SER A 85 8.933 -3.240 -6.137 1.00 1.64 H new ATOM 1322 N LEU A 86 6.714 -3.574 -2.151 1.00 0.44 N ATOM 1323 CA LEU A 86 6.050 -2.646 -1.243 1.00 0.43 C ATOM 1324 C LEU A 86 6.656 -2.801 0.156 1.00 0.38 C ATOM 1325 O LEU A 86 7.177 -1.832 0.716 1.00 0.43 O ATOM 1326 CB LEU A 86 4.525 -2.856 -1.282 1.00 0.53 C ATOM 1327 CG LEU A 86 3.675 -1.619 -0.931 1.00 0.98 C ATOM 1328 CD1 LEU A 86 3.910 -1.111 0.494 1.00 2.38 C ATOM 1329 CD2 LEU A 86 3.877 -0.470 -1.929 1.00 2.07 C ATOM 0 H LEU A 86 6.085 -4.224 -2.622 1.00 0.44 H new ATOM 0 HA LEU A 86 6.215 -1.615 -1.556 1.00 0.43 H new ATOM 0 HB2 LEU A 86 4.248 -3.194 -2.281 1.00 0.53 H new ATOM 0 HB3 LEU A 86 4.269 -3.659 -0.591 1.00 0.53 H new ATOM 0 HG LEU A 86 2.642 -1.962 -0.996 1.00 0.98 H new ATOM 0 HD11 LEU A 86 3.282 -0.239 0.678 1.00 2.38 H new ATOM 0 HD12 LEU A 86 3.658 -1.896 1.206 1.00 2.38 H new ATOM 0 HD13 LEU A 86 4.958 -0.835 0.614 1.00 2.38 H new ATOM 0 HD21 LEU A 86 3.257 0.378 -1.638 1.00 2.07 H new ATOM 0 HD22 LEU A 86 4.925 -0.169 -1.931 1.00 2.07 H new ATOM 0 HD23 LEU A 86 3.593 -0.801 -2.928 1.00 2.07 H new ATOM 1341 N MET A 87 6.645 -4.029 0.690 1.00 0.35 N ATOM 1342 CA MET A 87 7.243 -4.330 1.988 1.00 0.34 C ATOM 1343 C MET A 87 8.653 -3.742 2.131 1.00 0.36 C ATOM 1344 O MET A 87 8.982 -3.142 3.147 1.00 0.48 O ATOM 1345 CB MET A 87 7.276 -5.848 2.224 1.00 0.41 C ATOM 1346 CG MET A 87 7.283 -6.191 3.718 1.00 0.70 C ATOM 1347 SD MET A 87 7.031 -7.947 4.076 1.00 1.80 S ATOM 1348 CE MET A 87 6.353 -7.851 5.750 1.00 3.85 C ATOM 0 H MET A 87 6.222 -4.836 0.233 1.00 0.35 H new ATOM 0 HA MET A 87 6.616 -3.860 2.746 1.00 0.34 H new ATOM 0 HB2 MET A 87 6.410 -6.309 1.749 1.00 0.41 H new ATOM 0 HB3 MET A 87 8.162 -6.271 1.750 1.00 0.41 H new ATOM 0 HG2 MET A 87 8.234 -5.877 4.147 1.00 0.70 H new ATOM 0 HG3 MET A 87 6.503 -5.615 4.216 1.00 0.70 H new ATOM 0 HE1 MET A 87 5.678 -8.690 5.918 1.00 3.85 H new ATOM 0 HE2 MET A 87 7.166 -7.889 6.475 1.00 3.85 H new ATOM 0 HE3 MET A 87 5.805 -6.916 5.868 1.00 3.85 H new ATOM 1358 N ALA A 88 9.488 -3.937 1.112 1.00 0.36 N ATOM 1359 CA ALA A 88 10.912 -3.653 1.120 1.00 0.40 C ATOM 1360 C ALA A 88 11.178 -2.175 1.387 1.00 0.39 C ATOM 1361 O ALA A 88 12.050 -1.844 2.185 1.00 0.49 O ATOM 1362 CB ALA A 88 11.525 -4.100 -0.214 1.00 0.46 C ATOM 0 H ALA A 88 9.170 -4.315 0.220 1.00 0.36 H new ATOM 0 HA ALA A 88 11.383 -4.211 1.930 1.00 0.40 H new ATOM 0 HB1 ALA A 88 12.594 -3.888 -0.212 1.00 0.46 H new ATOM 0 HB2 ALA A 88 11.367 -5.170 -0.346 1.00 0.46 H new ATOM 0 HB3 ALA A 88 11.050 -3.559 -1.032 1.00 0.46 H new ATOM 1368 N ALA A 89 10.449 -1.289 0.705 1.00 0.35 N ATOM 1369 CA ALA A 89 10.619 0.149 0.884 1.00 0.40 C ATOM 1370 C ALA A 89 9.804 0.673 2.063 1.00 0.45 C ATOM 1371 O ALA A 89 10.215 1.631 2.710 1.00 0.71 O ATOM 1372 CB ALA A 89 10.229 0.877 -0.396 1.00 0.49 C ATOM 0 H ALA A 89 9.735 -1.546 0.023 1.00 0.35 H new ATOM 0 HA ALA A 89 11.669 0.339 1.105 1.00 0.40 H new ATOM 0 HB1 ALA A 89 10.358 1.951 -0.258 1.00 0.49 H new ATOM 0 HB2 ALA A 89 10.863 0.538 -1.215 1.00 0.49 H new ATOM 0 HB3 ALA A 89 9.187 0.664 -0.633 1.00 0.49 H new ATOM 1378 N ALA A 90 8.631 0.089 2.323 1.00 0.33 N ATOM 1379 CA ALA A 90 7.821 0.468 3.472 1.00 0.32 C ATOM 1380 C ALA A 90 8.544 0.161 4.779 1.00 0.30 C ATOM 1381 O ALA A 90 8.429 0.924 5.734 1.00 0.38 O ATOM 1382 CB ALA A 90 6.493 -0.278 3.416 1.00 0.32 C ATOM 0 H ALA A 90 8.225 -0.649 1.749 1.00 0.33 H new ATOM 0 HA ALA A 90 7.641 1.542 3.437 1.00 0.32 H new ATOM 0 HB1 ALA A 90 5.882 0.002 4.274 1.00 0.32 H new ATOM 0 HB2 ALA A 90 5.968 -0.018 2.497 1.00 0.32 H new ATOM 0 HB3 ALA A 90 6.678 -1.352 3.437 1.00 0.32 H new ATOM 1388 N ASP A 91 9.245 -0.974 4.842 1.00 0.26 N ATOM 1389 CA ASP A 91 10.017 -1.312 6.017 1.00 0.32 C ATOM 1390 C ASP A 91 11.176 -0.326 6.145 1.00 0.52 C ATOM 1391 O ASP A 91 12.058 -0.293 5.289 1.00 1.17 O ATOM 1392 CB ASP A 91 10.553 -2.746 5.959 1.00 0.45 C ATOM 1393 CG ASP A 91 11.456 -3.011 7.153 1.00 0.79 C ATOM 1394 OD1 ASP A 91 11.282 -2.326 8.188 1.00 1.69 O ATOM 1395 OD2 ASP A 91 12.334 -3.888 7.061 1.00 0.63 O ATOM 0 H ASP A 91 9.287 -1.664 4.092 1.00 0.26 H new ATOM 0 HA ASP A 91 9.364 -1.248 6.887 1.00 0.32 H new ATOM 0 HB2 ASP A 91 9.724 -3.453 5.955 1.00 0.45 H new ATOM 0 HB3 ASP A 91 11.107 -2.899 5.033 1.00 0.45 H new ATOM 1400 N ASN A 92 11.192 0.442 7.231 1.00 0.96 N ATOM 1401 CA ASN A 92 12.246 1.404 7.507 1.00 1.17 C ATOM 1402 C ASN A 92 13.257 0.850 8.513 1.00 0.98 C ATOM 1403 O ASN A 92 14.112 1.608 8.968 1.00 1.08 O ATOM 1404 CB ASN A 92 11.617 2.729 7.965 1.00 1.57 C ATOM 1405 CG ASN A 92 11.188 3.611 6.792 1.00 1.46 C ATOM 1406 OD1 ASN A 92 10.990 3.154 5.672 1.00 2.72 O ATOM 1407 ND2 ASN A 92 11.074 4.911 7.035 1.00 2.13 N ATOM 0 H ASN A 92 10.467 0.411 7.947 1.00 0.96 H new ATOM 0 HA ASN A 92 12.811 1.597 6.595 1.00 1.17 H new ATOM 0 HB2 ASN A 92 10.751 2.518 8.592 1.00 1.57 H new ATOM 0 HB3 ASN A 92 12.333 3.273 8.582 1.00 1.57 H new ATOM 0 HD21 ASN A 92 10.817 5.550 6.282 1.00 2.13 H new ATOM 0 HD22 ASN A 92 11.243 5.271 7.974 1.00 2.13 H new ATOM 1414 N ASP A 93 13.206 -0.452 8.838 1.00 0.93 N ATOM 1415 CA ASP A 93 14.198 -1.081 9.708 1.00 0.80 C ATOM 1416 C ASP A 93 15.187 -1.918 8.896 1.00 0.80 C ATOM 1417 O ASP A 93 16.399 -1.760 9.035 1.00 0.96 O ATOM 1418 CB ASP A 93 13.543 -2.004 10.744 1.00 0.76 C ATOM 1419 CG ASP A 93 12.652 -1.278 11.731 1.00 0.88 C ATOM 1420 OD1 ASP A 93 13.194 -0.632 12.649 1.00 1.38 O ATOM 1421 OD2 ASP A 93 11.421 -1.421 11.551 1.00 0.69 O ATOM 0 H ASP A 93 12.481 -1.088 8.506 1.00 0.93 H new ATOM 0 HA ASP A 93 14.716 -0.269 10.218 1.00 0.80 H new ATOM 0 HB2 ASP A 93 12.954 -2.759 10.224 1.00 0.76 H new ATOM 0 HB3 ASP A 93 14.324 -2.531 11.293 1.00 0.76 H new ATOM 1426 N GLY A 94 14.668 -2.873 8.118 1.00 0.72 N ATOM 1427 CA GLY A 94 15.407 -4.047 7.674 1.00 0.79 C ATOM 1428 C GLY A 94 15.030 -5.232 8.566 1.00 0.76 C ATOM 1429 O GLY A 94 15.901 -5.944 9.065 1.00 0.94 O ATOM 0 H GLY A 94 13.707 -2.847 7.777 1.00 0.72 H new ATOM 0 HA2 GLY A 94 15.173 -4.269 6.633 1.00 0.79 H new ATOM 0 HA3 GLY A 94 16.480 -3.860 7.727 1.00 0.79 H new ATOM 1433 N ASP A 95 13.723 -5.431 8.763 1.00 0.58 N ATOM 1434 CA ASP A 95 13.101 -6.509 9.527 1.00 0.61 C ATOM 1435 C ASP A 95 12.017 -7.186 8.682 1.00 0.61 C ATOM 1436 O ASP A 95 11.976 -8.411 8.581 1.00 0.73 O ATOM 1437 CB ASP A 95 12.577 -6.012 10.894 1.00 0.56 C ATOM 1438 CG ASP A 95 11.478 -4.947 10.889 1.00 0.83 C ATOM 1439 OD1 ASP A 95 11.040 -4.477 9.821 1.00 2.01 O ATOM 1440 OD2 ASP A 95 11.022 -4.545 11.974 1.00 1.73 O ATOM 0 H ASP A 95 13.028 -4.799 8.365 1.00 0.58 H new ATOM 0 HA ASP A 95 13.856 -7.260 9.759 1.00 0.61 H new ATOM 0 HB2 ASP A 95 12.205 -6.876 11.445 1.00 0.56 H new ATOM 0 HB3 ASP A 95 13.424 -5.617 11.455 1.00 0.56 H new ATOM 1445 N GLY A 96 11.145 -6.386 8.077 1.00 0.58 N ATOM 1446 CA GLY A 96 10.014 -6.788 7.268 1.00 0.58 C ATOM 1447 C GLY A 96 8.773 -6.088 7.807 1.00 0.76 C ATOM 1448 O GLY A 96 8.175 -5.269 7.116 1.00 1.27 O ATOM 0 H GLY A 96 11.221 -5.371 8.148 1.00 0.58 H new ATOM 0 HA2 GLY A 96 10.179 -6.521 6.224 1.00 0.58 H new ATOM 0 HA3 GLY A 96 9.886 -7.870 7.303 1.00 0.58 H new ATOM 1452 N LYS A 97 8.372 -6.438 9.034 1.00 0.50 N ATOM 1453 CA LYS A 97 7.194 -5.893 9.703 1.00 0.57 C ATOM 1454 C LYS A 97 7.165 -4.359 9.617 1.00 0.54 C ATOM 1455 O LYS A 97 8.197 -3.711 9.818 1.00 0.73 O ATOM 1456 CB LYS A 97 7.137 -6.401 11.156 1.00 0.58 C ATOM 1457 CG LYS A 97 8.392 -6.035 11.961 1.00 2.13 C ATOM 1458 CD LYS A 97 8.366 -6.595 13.387 1.00 2.27 C ATOM 1459 CE LYS A 97 9.644 -6.132 14.109 1.00 4.06 C ATOM 1460 NZ LYS A 97 9.716 -6.610 15.502 1.00 4.49 N ATOM 0 H LYS A 97 8.872 -7.124 9.599 1.00 0.50 H new ATOM 0 HA LYS A 97 6.298 -6.245 9.191 1.00 0.57 H new ATOM 0 HB2 LYS A 97 6.259 -5.983 11.649 1.00 0.58 H new ATOM 0 HB3 LYS A 97 7.015 -7.484 11.153 1.00 0.58 H new ATOM 0 HG2 LYS A 97 9.274 -6.413 11.443 1.00 2.13 H new ATOM 0 HG3 LYS A 97 8.488 -4.950 12.003 1.00 2.13 H new ATOM 0 HD2 LYS A 97 7.481 -6.243 13.917 1.00 2.27 H new ATOM 0 HD3 LYS A 97 8.314 -7.684 13.367 1.00 2.27 H new ATOM 0 HE2 LYS A 97 10.516 -6.490 13.561 1.00 4.06 H new ATOM 0 HE3 LYS A 97 9.687 -5.043 14.100 1.00 4.06 H new ATOM 0 HZ1 LYS A 97 10.595 -6.270 15.941 1.00 4.49 H new ATOM 0 HZ2 LYS A 97 8.900 -6.248 16.036 1.00 4.49 H new ATOM 0 HZ3 LYS A 97 9.703 -7.650 15.513 1.00 4.49 H new ATOM 1474 N ILE A 98 5.999 -3.786 9.299 1.00 0.47 N ATOM 1475 CA ILE A 98 5.821 -2.360 9.038 1.00 0.44 C ATOM 1476 C ILE A 98 4.866 -1.771 10.071 1.00 0.52 C ATOM 1477 O ILE A 98 3.664 -2.040 10.032 1.00 0.82 O ATOM 1478 CB ILE A 98 5.334 -2.191 7.590 1.00 0.42 C ATOM 1479 CG1 ILE A 98 6.534 -2.404 6.655 1.00 0.47 C ATOM 1480 CG2 ILE A 98 4.703 -0.829 7.266 1.00 0.49 C ATOM 1481 CD1 ILE A 98 6.156 -3.304 5.489 1.00 0.42 C ATOM 0 H ILE A 98 5.133 -4.318 9.215 1.00 0.47 H new ATOM 0 HA ILE A 98 6.758 -1.812 9.136 1.00 0.44 H new ATOM 0 HB ILE A 98 4.542 -2.927 7.449 1.00 0.42 H new ATOM 0 HG12 ILE A 98 6.884 -1.442 6.280 1.00 0.47 H new ATOM 0 HG13 ILE A 98 7.360 -2.849 7.211 1.00 0.47 H new ATOM 0 HG21 ILE A 98 4.393 -0.811 6.221 1.00 0.49 H new ATOM 0 HG22 ILE A 98 3.835 -0.669 7.905 1.00 0.49 H new ATOM 0 HG23 ILE A 98 5.433 -0.039 7.441 1.00 0.49 H new ATOM 0 HD11 ILE A 98 7.021 -3.441 4.840 1.00 0.42 H new ATOM 0 HD12 ILE A 98 5.830 -4.272 5.868 1.00 0.42 H new ATOM 0 HD13 ILE A 98 5.346 -2.844 4.922 1.00 0.42 H new ATOM 1493 N GLY A 99 5.395 -0.969 10.997 1.00 0.67 N ATOM 1494 CA GLY A 99 4.560 -0.199 11.913 1.00 0.79 C ATOM 1495 C GLY A 99 3.795 0.911 11.181 1.00 0.71 C ATOM 1496 O GLY A 99 4.095 1.244 10.032 1.00 0.57 O ATOM 0 H GLY A 99 6.398 -0.838 11.130 1.00 0.67 H new ATOM 0 HA2 GLY A 99 3.852 -0.864 12.408 1.00 0.79 H new ATOM 0 HA3 GLY A 99 5.183 0.240 12.692 1.00 0.79 H new ATOM 1500 N ALA A 100 2.817 1.529 11.858 1.00 0.83 N ATOM 1501 CA ALA A 100 2.094 2.663 11.294 1.00 0.81 C ATOM 1502 C ALA A 100 3.053 3.817 11.047 1.00 0.74 C ATOM 1503 O ALA A 100 2.941 4.501 10.035 1.00 0.71 O ATOM 1504 CB ALA A 100 0.939 3.109 12.193 1.00 0.88 C ATOM 0 H ALA A 100 2.514 1.259 12.794 1.00 0.83 H new ATOM 0 HA ALA A 100 1.660 2.345 10.346 1.00 0.81 H new ATOM 0 HB1 ALA A 100 0.428 3.956 11.735 1.00 0.88 H new ATOM 0 HB2 ALA A 100 0.236 2.285 12.318 1.00 0.88 H new ATOM 0 HB3 ALA A 100 1.329 3.404 13.167 1.00 0.88 H new ATOM 1510 N GLU A 101 4.005 4.007 11.964 1.00 0.76 N ATOM 1511 CA GLU A 101 5.084 4.960 11.803 1.00 0.73 C ATOM 1512 C GLU A 101 5.811 4.716 10.481 1.00 0.54 C ATOM 1513 O GLU A 101 5.896 5.622 9.663 1.00 0.61 O ATOM 1514 CB GLU A 101 6.024 4.876 13.010 1.00 0.86 C ATOM 1515 CG GLU A 101 5.344 5.492 14.239 1.00 1.50 C ATOM 1516 CD GLU A 101 6.114 5.173 15.511 1.00 1.60 C ATOM 1517 OE1 GLU A 101 5.859 4.075 16.049 1.00 2.47 O ATOM 1518 OE2 GLU A 101 6.929 6.028 15.916 1.00 2.39 O ATOM 0 H GLU A 101 4.041 3.494 12.845 1.00 0.76 H new ATOM 0 HA GLU A 101 4.684 5.973 11.764 1.00 0.73 H new ATOM 0 HB2 GLU A 101 6.284 3.836 13.209 1.00 0.86 H new ATOM 0 HB3 GLU A 101 6.955 5.402 12.796 1.00 0.86 H new ATOM 0 HG2 GLU A 101 5.273 6.573 14.115 1.00 1.50 H new ATOM 0 HG3 GLU A 101 4.325 5.113 14.323 1.00 1.50 H new ATOM 1525 N GLU A 102 6.291 3.493 10.250 1.00 0.37 N ATOM 1526 CA GLU A 102 6.979 3.124 9.020 1.00 0.28 C ATOM 1527 C GLU A 102 6.110 3.427 7.791 1.00 0.28 C ATOM 1528 O GLU A 102 6.548 4.077 6.841 1.00 0.33 O ATOM 1529 CB GLU A 102 7.353 1.639 9.073 1.00 0.28 C ATOM 1530 CG GLU A 102 8.187 1.275 10.306 1.00 0.46 C ATOM 1531 CD GLU A 102 8.741 -0.126 10.158 1.00 0.46 C ATOM 1532 OE1 GLU A 102 9.621 -0.352 9.306 1.00 1.30 O ATOM 1533 OE2 GLU A 102 8.307 -1.067 10.856 1.00 1.17 O ATOM 0 H GLU A 102 6.211 2.727 10.919 1.00 0.37 H new ATOM 0 HA GLU A 102 7.889 3.718 8.930 1.00 0.28 H new ATOM 0 HB2 GLU A 102 6.442 1.040 9.068 1.00 0.28 H new ATOM 0 HB3 GLU A 102 7.911 1.378 8.174 1.00 0.28 H new ATOM 0 HG2 GLU A 102 9.003 1.987 10.427 1.00 0.46 H new ATOM 0 HG3 GLU A 102 7.572 1.339 11.204 1.00 0.46 H new ATOM 1540 N PHE A 103 4.860 2.954 7.816 1.00 0.33 N ATOM 1541 CA PHE A 103 3.931 3.163 6.714 1.00 0.46 C ATOM 1542 C PHE A 103 3.753 4.657 6.425 1.00 0.44 C ATOM 1543 O PHE A 103 3.999 5.112 5.311 1.00 0.46 O ATOM 1544 CB PHE A 103 2.593 2.481 7.024 1.00 0.66 C ATOM 1545 CG PHE A 103 1.595 2.562 5.888 1.00 1.41 C ATOM 1546 CD1 PHE A 103 1.682 1.662 4.809 1.00 1.59 C ATOM 1547 CD2 PHE A 103 0.622 3.576 5.873 1.00 3.10 C ATOM 1548 CE1 PHE A 103 0.773 1.753 3.740 1.00 2.18 C ATOM 1549 CE2 PHE A 103 -0.317 3.635 4.830 1.00 3.95 C ATOM 1550 CZ PHE A 103 -0.241 2.726 3.760 1.00 3.19 C ATOM 0 H PHE A 103 4.472 2.422 8.595 1.00 0.33 H new ATOM 0 HA PHE A 103 4.342 2.710 5.812 1.00 0.46 H new ATOM 0 HB2 PHE A 103 2.775 1.433 7.263 1.00 0.66 H new ATOM 0 HB3 PHE A 103 2.158 2.939 7.912 1.00 0.66 H new ATOM 0 HD1 PHE A 103 2.448 0.901 4.802 1.00 1.59 H new ATOM 0 HD2 PHE A 103 0.596 4.311 6.664 1.00 3.10 H new ATOM 0 HE1 PHE A 103 0.854 1.075 2.903 1.00 2.18 H new ATOM 0 HE2 PHE A 103 -1.099 4.380 4.850 1.00 3.95 H new ATOM 0 HZ PHE A 103 -0.960 2.775 2.956 1.00 3.19 H new ATOM 1560 N GLN A 104 3.334 5.426 7.435 1.00 0.46 N ATOM 1561 CA GLN A 104 3.158 6.868 7.346 1.00 0.49 C ATOM 1562 C GLN A 104 4.451 7.527 6.865 1.00 0.45 C ATOM 1563 O GLN A 104 4.373 8.385 6.002 1.00 0.54 O ATOM 1564 CB GLN A 104 2.691 7.419 8.701 1.00 0.60 C ATOM 1565 CG GLN A 104 2.283 8.894 8.579 1.00 0.82 C ATOM 1566 CD GLN A 104 1.787 9.481 9.902 1.00 1.34 C ATOM 1567 OE1 GLN A 104 1.288 8.777 10.781 1.00 2.19 O ATOM 1568 NE2 GLN A 104 1.911 10.795 10.058 1.00 2.00 N ATOM 0 H GLN A 104 3.104 5.049 8.355 1.00 0.46 H new ATOM 0 HA GLN A 104 2.386 7.102 6.613 1.00 0.49 H new ATOM 0 HB2 GLN A 104 1.848 6.833 9.066 1.00 0.60 H new ATOM 0 HB3 GLN A 104 3.491 7.318 9.435 1.00 0.60 H new ATOM 0 HG2 GLN A 104 3.135 9.474 8.226 1.00 0.82 H new ATOM 0 HG3 GLN A 104 1.499 8.989 7.828 1.00 0.82 H new ATOM 0 HE21 GLN A 104 2.327 11.359 9.317 1.00 2.00 H new ATOM 0 HE22 GLN A 104 1.590 11.239 10.918 1.00 2.00 H new ATOM 1577 N GLU A 105 5.622 7.146 7.383 1.00 0.39 N ATOM 1578 CA GLU A 105 6.906 7.674 6.931 1.00 0.39 C ATOM 1579 C GLU A 105 7.034 7.541 5.419 1.00 0.38 C ATOM 1580 O GLU A 105 7.193 8.542 4.722 1.00 0.44 O ATOM 1581 CB GLU A 105 8.074 6.948 7.617 1.00 0.41 C ATOM 1582 CG GLU A 105 8.477 7.643 8.924 1.00 0.69 C ATOM 1583 CD GLU A 105 9.218 8.944 8.645 1.00 2.01 C ATOM 1584 OE1 GLU A 105 10.356 8.839 8.139 1.00 2.82 O ATOM 1585 OE2 GLU A 105 8.629 10.012 8.921 1.00 3.10 O ATOM 0 H GLU A 105 5.703 6.458 8.132 1.00 0.39 H new ATOM 0 HA GLU A 105 6.947 8.729 7.202 1.00 0.39 H new ATOM 0 HB2 GLU A 105 7.791 5.916 7.825 1.00 0.41 H new ATOM 0 HB3 GLU A 105 8.930 6.914 6.943 1.00 0.41 H new ATOM 0 HG2 GLU A 105 7.588 7.848 9.520 1.00 0.69 H new ATOM 0 HG3 GLU A 105 9.110 6.979 9.513 1.00 0.69 H new ATOM 1592 N MET A 106 6.956 6.309 4.906 1.00 0.34 N ATOM 1593 CA MET A 106 7.085 6.088 3.472 1.00 0.43 C ATOM 1594 C MET A 106 6.039 6.946 2.755 1.00 0.55 C ATOM 1595 O MET A 106 6.342 7.731 1.860 1.00 0.71 O ATOM 1596 CB MET A 106 6.935 4.591 3.138 1.00 0.58 C ATOM 1597 CG MET A 106 7.960 4.127 2.092 1.00 1.07 C ATOM 1598 SD MET A 106 8.089 5.119 0.578 1.00 2.78 S ATOM 1599 CE MET A 106 9.816 5.637 0.710 1.00 2.76 C ATOM 0 H MET A 106 6.806 5.464 5.457 1.00 0.34 H new ATOM 0 HA MET A 106 8.077 6.384 3.130 1.00 0.43 H new ATOM 0 HB2 MET A 106 7.055 4.003 4.048 1.00 0.58 H new ATOM 0 HB3 MET A 106 5.928 4.402 2.767 1.00 0.58 H new ATOM 0 HG2 MET A 106 8.941 4.101 2.566 1.00 1.07 H new ATOM 0 HG3 MET A 106 7.716 3.103 1.808 1.00 1.07 H new ATOM 0 HE1 MET A 106 10.060 6.305 -0.116 1.00 2.76 H new ATOM 0 HE2 MET A 106 9.968 6.158 1.655 1.00 2.76 H new ATOM 0 HE3 MET A 106 10.463 4.760 0.671 1.00 2.76 H new ATOM 1609 N VAL A 107 4.792 6.833 3.210 1.00 0.59 N ATOM 1610 CA VAL A 107 3.661 7.498 2.600 1.00 0.72 C ATOM 1611 C VAL A 107 3.684 9.031 2.796 1.00 0.93 C ATOM 1612 O VAL A 107 2.957 9.757 2.125 1.00 1.48 O ATOM 1613 CB VAL A 107 2.369 6.801 3.057 1.00 0.62 C ATOM 1614 CG1 VAL A 107 1.151 7.513 2.480 1.00 0.73 C ATOM 1615 CG2 VAL A 107 2.335 5.351 2.548 1.00 0.51 C ATOM 0 H VAL A 107 4.545 6.268 4.023 1.00 0.59 H new ATOM 0 HA VAL A 107 3.717 7.397 1.516 1.00 0.72 H new ATOM 0 HB VAL A 107 2.348 6.826 4.147 1.00 0.62 H new ATOM 0 HG11 VAL A 107 0.244 7.009 2.812 1.00 0.73 H new ATOM 0 HG12 VAL A 107 1.138 8.547 2.824 1.00 0.73 H new ATOM 0 HG13 VAL A 107 1.200 7.493 1.391 1.00 0.73 H new ATOM 0 HG21 VAL A 107 1.414 4.871 2.879 1.00 0.51 H new ATOM 0 HG22 VAL A 107 2.375 5.347 1.459 1.00 0.51 H new ATOM 0 HG23 VAL A 107 3.192 4.806 2.944 1.00 0.51 H new ATOM 1625 N HIS A 108 4.527 9.555 3.682 1.00 0.70 N ATOM 1626 CA HIS A 108 4.706 10.987 3.881 1.00 0.79 C ATOM 1627 C HIS A 108 5.781 11.535 2.925 1.00 0.86 C ATOM 1628 O HIS A 108 6.034 12.739 2.915 1.00 1.07 O ATOM 1629 CB HIS A 108 5.048 11.223 5.364 1.00 1.03 C ATOM 1630 CG HIS A 108 5.369 12.642 5.758 1.00 1.41 C ATOM 1631 ND1 HIS A 108 6.611 13.230 5.689 1.00 2.69 N ATOM 1632 CD2 HIS A 108 4.517 13.541 6.344 1.00 2.00 C ATOM 1633 CE1 HIS A 108 6.502 14.465 6.205 1.00 2.59 C ATOM 1634 NE2 HIS A 108 5.247 14.701 6.625 1.00 1.99 N ATOM 0 H HIS A 108 5.114 8.985 4.291 1.00 0.70 H new ATOM 0 HA HIS A 108 3.791 11.531 3.645 1.00 0.79 H new ATOM 0 HB2 HIS A 108 4.207 10.882 5.967 1.00 1.03 H new ATOM 0 HB3 HIS A 108 5.901 10.595 5.623 1.00 1.03 H new ATOM 0 HD2 HIS A 108 3.469 13.382 6.552 1.00 2.00 H new ATOM 0 HE1 HIS A 108 7.314 15.174 6.273 1.00 2.59 H new ATOM 0 HE2 HIS A 108 4.897 15.554 7.061 1.00 1.99 H new ATOM 1642 N SER A 109 6.447 10.660 2.162 1.00 0.98 N ATOM 1643 CA SER A 109 7.556 11.041 1.297 1.00 1.21 C ATOM 1644 C SER A 109 7.104 11.737 -0.002 1.00 1.81 C ATOM 1645 O SER A 109 7.986 11.848 -0.885 1.00 2.22 O ATOM 1646 CB SER A 109 8.396 9.788 0.993 1.00 1.13 C ATOM 1647 OG SER A 109 9.570 10.146 0.291 1.00 1.47 O ATOM 1648 OXT SER A 109 5.911 12.101 -0.138 1.00 2.45 O ATOM 0 H SER A 109 6.226 9.665 2.131 1.00 0.98 H new ATOM 0 HA SER A 109 8.158 11.780 1.826 1.00 1.21 H new ATOM 0 HB2 SER A 109 8.659 9.283 1.923 1.00 1.13 H new ATOM 0 HB3 SER A 109 7.811 9.083 0.402 1.00 1.13 H new ATOM 0 HG SER A 109 9.350 10.805 -0.400 1.00 1.47 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 10.125 -2.437 10.099 1.00 0.53 CA HETATM 1656 CA CA A 111 -1.605 -6.740 11.286 1.00 0.86 CA