USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 11 GLN : amide:sc= -0.849 K(o=-0.072,f=-0.77) USER MOD Set 1.2: A 28 TYR OH : rot 29:sc= 0.778 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0732) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -1.3 USER MOD Single : A 13 GLN : amide:sc= -0.808 X(o=-0.81,f=-1) USER MOD Single : A 17 ASN : amide:sc= -0.515 K(o=-0.52,f=-5.6!) USER MOD Single : A 18 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-0.63) USER MOD Single : A 21 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.35) USER MOD Single : A 22 TYR OH : rot 142:sc= 0.0797 USER MOD Single : A 23 SER OG : rot 117:sc= 0.127 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc=-0.00789 (180deg=-0.0972) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 135:sc= 0.073 (180deg=-0.0209) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc=-0.00869 (180deg=-0.122) USER MOD Single : A 47 CYS SG : rot 67:sc= 0.716 USER MOD Single : A 50 TYR OH : rot -15:sc= -0.428 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -150:sc= -1.18 USER MOD Single : A 65 GLN : amide:sc= -3.12! C(o=-3.1!,f=-7.4!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 67 MET CE :methyl -161:sc= -0.103 (180deg=-0.575) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.482 -3.283 -4.222 1.00 0.00 N ATOM 2 CA MET A 1 12.198 -3.935 -3.875 1.00 0.00 C ATOM 3 C MET A 1 11.408 -4.229 -5.130 1.00 0.00 C ATOM 4 O MET A 1 11.219 -3.357 -5.973 1.00 0.00 O ATOM 5 CB MET A 1 11.377 -3.041 -2.937 1.00 0.00 C ATOM 6 CG MET A 1 12.050 -2.814 -1.592 1.00 0.00 C ATOM 7 SD MET A 1 12.406 -4.345 -0.725 1.00 0.00 S ATOM 8 CE MET A 1 13.184 -3.713 0.759 1.00 0.00 C ATOM 0 H1 MET A 1 14.068 -3.193 -3.367 1.00 0.00 H new ATOM 0 H2 MET A 1 13.985 -3.859 -4.927 1.00 0.00 H new ATOM 0 H3 MET A 1 13.296 -2.338 -4.616 1.00 0.00 H new ATOM 0 HA MET A 1 12.414 -4.872 -3.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.206 -2.078 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.399 -3.494 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.978 -2.263 -1.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.408 -2.191 -0.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.465 -4.545 1.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.075 -3.146 0.489 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.486 -3.063 1.287 1.00 0.00 H new ATOM 20 N THR A 2 10.946 -5.455 -5.256 1.00 0.00 N ATOM 21 CA THR A 2 10.212 -5.884 -6.438 1.00 0.00 C ATOM 22 C THR A 2 8.942 -6.642 -6.053 1.00 0.00 C ATOM 23 O THR A 2 9.015 -7.714 -5.441 1.00 0.00 O ATOM 24 CB THR A 2 11.060 -6.785 -7.355 1.00 0.00 C ATOM 25 OG1 THR A 2 12.335 -6.174 -7.607 1.00 0.00 O ATOM 26 CG2 THR A 2 10.352 -7.057 -8.671 1.00 0.00 C ATOM 0 H THR A 2 11.065 -6.181 -4.550 1.00 0.00 H new ATOM 0 HA THR A 2 9.953 -4.974 -6.980 1.00 0.00 H new ATOM 0 HB THR A 2 11.208 -7.736 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.867 -6.755 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.977 -7.696 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.403 -7.556 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.168 -6.114 -9.186 1.00 0.00 H new ATOM 34 N SER A 3 7.807 -6.073 -6.376 1.00 0.00 N ATOM 35 CA SER A 3 6.537 -6.753 -6.177 1.00 0.00 C ATOM 36 C SER A 3 6.353 -7.810 -7.265 1.00 0.00 C ATOM 37 O SER A 3 5.811 -7.520 -8.330 1.00 0.00 O ATOM 38 CB SER A 3 5.393 -5.734 -6.192 1.00 0.00 C ATOM 39 OG SER A 3 5.710 -4.616 -5.371 1.00 0.00 O ATOM 0 H SER A 3 7.729 -5.139 -6.779 1.00 0.00 H new ATOM 0 HA SER A 3 6.530 -7.251 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.208 -5.402 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.475 -6.204 -5.838 1.00 0.00 H new ATOM 0 HG SER A 3 4.970 -3.974 -5.393 1.00 0.00 H new ATOM 45 N VAL A 4 6.859 -9.014 -6.995 1.00 0.00 N ATOM 46 CA VAL A 4 6.867 -10.095 -7.972 1.00 0.00 C ATOM 47 C VAL A 4 5.478 -10.352 -8.548 1.00 0.00 C ATOM 48 O VAL A 4 5.302 -10.346 -9.773 1.00 0.00 O ATOM 49 CB VAL A 4 7.469 -11.407 -7.391 1.00 0.00 C ATOM 50 CG1 VAL A 4 6.792 -11.803 -6.081 1.00 0.00 C ATOM 51 CG2 VAL A 4 7.382 -12.541 -8.413 1.00 0.00 C ATOM 0 H VAL A 4 7.272 -9.263 -6.096 1.00 0.00 H new ATOM 0 HA VAL A 4 7.513 -9.766 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 4 8.521 -11.220 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.238 -12.724 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.926 -11.008 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.727 -11.960 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.808 -13.449 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.338 -12.718 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.937 -12.266 -9.310 1.00 0.00 H new ATOM 61 N PHE A 5 4.497 -10.538 -7.685 1.00 0.00 N ATOM 62 CA PHE A 5 3.130 -10.786 -8.101 1.00 0.00 C ATOM 63 C PHE A 5 2.241 -10.964 -6.876 1.00 0.00 C ATOM 64 O PHE A 5 2.087 -12.065 -6.349 1.00 0.00 O ATOM 65 CB PHE A 5 3.044 -12.037 -8.983 1.00 0.00 C ATOM 66 CG PHE A 5 1.758 -12.150 -9.761 1.00 0.00 C ATOM 67 CD1 PHE A 5 1.593 -11.413 -10.916 1.00 0.00 C ATOM 68 CD2 PHE A 5 0.743 -12.985 -9.338 1.00 0.00 C ATOM 69 CE1 PHE A 5 0.418 -11.500 -11.634 1.00 0.00 C ATOM 70 CE2 PHE A 5 -0.440 -13.075 -10.057 1.00 0.00 C ATOM 71 CZ PHE A 5 -0.603 -12.326 -11.202 1.00 0.00 C ATOM 0 H PHE A 5 4.626 -10.521 -6.673 1.00 0.00 H new ATOM 0 HA PHE A 5 2.789 -9.929 -8.681 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.881 -12.035 -9.682 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.156 -12.921 -8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.387 -10.766 -11.259 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.871 -13.572 -8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.295 -10.921 -12.537 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.230 -13.730 -9.721 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.526 -12.384 -11.760 1.00 0.00 H new ATOM 81 N ASP A 6 1.702 -9.857 -6.402 1.00 0.00 N ATOM 82 CA ASP A 6 0.789 -9.889 -5.264 1.00 0.00 C ATOM 83 C ASP A 6 -0.637 -9.641 -5.736 1.00 0.00 C ATOM 84 O ASP A 6 -0.922 -8.633 -6.396 1.00 0.00 O ATOM 85 CB ASP A 6 1.175 -8.849 -4.226 1.00 0.00 C ATOM 86 CG ASP A 6 2.437 -9.220 -3.468 1.00 0.00 C ATOM 87 OD1 ASP A 6 2.337 -9.904 -2.425 1.00 0.00 O ATOM 88 OD2 ASP A 6 3.530 -8.816 -3.906 1.00 0.00 O ATOM 0 H ASP A 6 1.876 -8.926 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 6 0.854 -10.875 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.321 -7.887 -4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.355 -8.725 -3.519 1.00 0.00 H new ATOM 93 N ARG A 7 -1.524 -10.570 -5.413 1.00 0.00 N ATOM 94 CA ARG A 7 -2.911 -10.471 -5.849 1.00 0.00 C ATOM 95 C ARG A 7 -3.741 -9.710 -4.822 1.00 0.00 C ATOM 96 O ARG A 7 -4.454 -8.759 -5.157 1.00 0.00 O ATOM 97 CB ARG A 7 -3.500 -11.875 -6.089 1.00 0.00 C ATOM 98 CG ARG A 7 -2.838 -12.621 -7.217 1.00 0.00 C ATOM 99 CD ARG A 7 -3.360 -14.050 -7.340 1.00 0.00 C ATOM 100 NE ARG A 7 -2.793 -14.742 -8.510 1.00 0.00 N ATOM 101 CZ ARG A 7 -2.055 -15.856 -8.453 1.00 0.00 C ATOM 102 NH1 ARG A 7 -1.739 -16.394 -7.295 1.00 0.00 N ATOM 103 NH2 ARG A 7 -1.599 -16.401 -9.579 1.00 0.00 N ATOM 0 H ARG A 7 -1.311 -11.396 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.940 -9.920 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.408 -12.460 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.565 -11.782 -6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.010 -12.090 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.760 -12.641 -7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.114 -14.606 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.447 -14.034 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.976 -14.343 -9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.057 -15.961 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.176 -17.244 -7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.813 -15.969 -10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.036 -17.251 -9.543 1.00 0.00 H new ATOM 117 N ASP A 8 -3.622 -10.144 -3.572 1.00 0.00 N ATOM 118 CA ASP A 8 -4.377 -9.546 -2.480 1.00 0.00 C ATOM 119 C ASP A 8 -3.644 -8.335 -1.927 1.00 0.00 C ATOM 120 O ASP A 8 -4.248 -7.291 -1.662 1.00 0.00 O ATOM 121 CB ASP A 8 -4.603 -10.576 -1.365 1.00 0.00 C ATOM 122 CG ASP A 8 -5.296 -9.967 -0.163 1.00 0.00 C ATOM 123 OD1 ASP A 8 -6.548 -9.942 -0.147 1.00 0.00 O ATOM 124 OD2 ASP A 8 -4.605 -9.529 0.768 1.00 0.00 O ATOM 0 H ASP A 8 -3.009 -10.909 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.344 -9.223 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.202 -11.401 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.644 -10.994 -1.058 1.00 0.00 H new ATOM 129 N ASP A 9 -2.337 -8.459 -1.786 1.00 0.00 N ATOM 130 CA ASP A 9 -1.526 -7.380 -1.219 1.00 0.00 C ATOM 131 C ASP A 9 -1.165 -6.367 -2.312 1.00 0.00 C ATOM 132 O ASP A 9 -0.119 -6.465 -2.931 1.00 0.00 O ATOM 133 CB ASP A 9 -0.242 -7.931 -0.589 1.00 0.00 C ATOM 134 CG ASP A 9 0.367 -6.983 0.432 1.00 0.00 C ATOM 135 OD1 ASP A 9 1.162 -6.117 0.053 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.056 -7.127 1.649 1.00 0.00 O ATOM 0 H ASP A 9 -1.809 -9.290 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.112 -6.889 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.459 -8.885 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.487 -8.129 -1.375 1.00 0.00 H new ATOM 141 N ILE A 10 -2.070 -5.430 -2.540 1.00 0.00 N ATOM 142 CA ILE A 10 -1.885 -4.439 -3.590 1.00 0.00 C ATOM 143 C ILE A 10 -1.158 -3.214 -3.033 1.00 0.00 C ATOM 144 O ILE A 10 -0.527 -3.282 -1.974 1.00 0.00 O ATOM 145 CB ILE A 10 -3.240 -4.037 -4.207 1.00 0.00 C ATOM 146 CG1 ILE A 10 -4.200 -3.555 -3.117 1.00 0.00 C ATOM 147 CG2 ILE A 10 -3.852 -5.218 -4.955 1.00 0.00 C ATOM 148 CD1 ILE A 10 -5.573 -3.117 -3.642 1.00 0.00 C ATOM 0 H ILE A 10 -2.939 -5.334 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.274 -4.877 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.071 -3.222 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.339 -4.355 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.742 -2.720 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.808 -4.920 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.178 -5.533 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.008 -6.046 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.194 -2.790 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.448 -2.294 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.054 -3.955 -4.146 1.00 0.00 H new ATOM 160 N GLN A 11 -1.233 -2.098 -3.743 1.00 0.00 N ATOM 161 CA GLN A 11 -0.485 -0.907 -3.373 1.00 0.00 C ATOM 162 C GLN A 11 -1.347 0.031 -2.551 1.00 0.00 C ATOM 163 O GLN A 11 -2.407 0.479 -2.985 1.00 0.00 O ATOM 164 CB GLN A 11 0.063 -0.184 -4.600 1.00 0.00 C ATOM 165 CG GLN A 11 1.270 -0.845 -5.252 1.00 0.00 C ATOM 166 CD GLN A 11 0.963 -2.175 -5.908 1.00 0.00 C ATOM 167 OE1 GLN A 11 0.571 -2.237 -7.070 1.00 0.00 O ATOM 168 NE2 GLN A 11 1.174 -3.252 -5.174 1.00 0.00 N ATOM 0 H GLN A 11 -1.806 -1.993 -4.580 1.00 0.00 H new ATOM 0 HA GLN A 11 0.363 -1.228 -2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.732 -0.104 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.335 0.832 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.682 -0.168 -6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.042 -0.993 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.500 -3.158 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.011 -4.178 -5.569 1.00 0.00 H new ATOM 177 N PHE A 12 -0.884 0.324 -1.359 1.00 0.00 N ATOM 178 CA PHE A 12 -1.576 1.191 -0.446 1.00 0.00 C ATOM 179 C PHE A 12 -0.674 2.338 -0.002 1.00 0.00 C ATOM 180 O PHE A 12 0.500 2.427 -0.395 1.00 0.00 O ATOM 181 CB PHE A 12 -2.045 0.419 0.793 1.00 0.00 C ATOM 182 CG PHE A 12 -3.303 -0.389 0.610 1.00 0.00 C ATOM 183 CD1 PHE A 12 -3.252 -1.678 0.097 1.00 0.00 C ATOM 184 CD2 PHE A 12 -4.527 0.150 0.956 1.00 0.00 C ATOM 185 CE1 PHE A 12 -4.408 -2.415 -0.077 1.00 0.00 C ATOM 186 CE2 PHE A 12 -5.691 -0.586 0.801 1.00 0.00 C ATOM 187 CZ PHE A 12 -5.620 -1.879 0.276 1.00 0.00 C ATOM 0 H PHE A 12 -0.004 -0.040 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.443 1.592 -0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.245 -0.251 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.204 1.129 1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.298 -2.110 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.577 1.154 1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.357 -3.411 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.644 -0.164 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.523 -2.458 0.148 1.00 0.00 H new ATOM 197 N GLN A 13 -1.248 3.219 0.796 1.00 0.00 N ATOM 198 CA GLN A 13 -0.548 4.311 1.397 1.00 0.00 C ATOM 199 C GLN A 13 -1.198 4.611 2.731 1.00 0.00 C ATOM 200 O GLN A 13 -2.376 4.312 2.912 1.00 0.00 O ATOM 201 CB GLN A 13 -0.576 5.551 0.491 1.00 0.00 C ATOM 202 CG GLN A 13 -1.974 5.941 0.060 1.00 0.00 C ATOM 203 CD GLN A 13 -1.992 7.130 -0.884 1.00 0.00 C ATOM 204 OE1 GLN A 13 -1.046 7.363 -1.642 1.00 0.00 O ATOM 205 NE2 GLN A 13 -3.103 7.865 -0.884 1.00 0.00 N ATOM 0 H GLN A 13 -2.237 3.184 1.043 1.00 0.00 H new ATOM 0 HA GLN A 13 0.498 4.041 1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.118 6.388 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.031 5.360 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.449 5.090 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.569 6.176 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.863 7.640 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.194 8.652 -1.526 1.00 0.00 H new ATOM 214 N VAL A 14 -0.447 5.168 3.659 1.00 0.00 N ATOM 215 CA VAL A 14 -0.984 5.494 4.969 1.00 0.00 C ATOM 216 C VAL A 14 -1.500 6.921 4.969 1.00 0.00 C ATOM 217 O VAL A 14 -0.799 7.834 4.527 1.00 0.00 O ATOM 218 CB VAL A 14 0.068 5.316 6.091 1.00 0.00 C ATOM 219 CG1 VAL A 14 -0.555 5.596 7.449 1.00 0.00 C ATOM 220 CG2 VAL A 14 0.662 3.924 6.054 1.00 0.00 C ATOM 0 H VAL A 14 0.537 5.405 3.533 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.801 4.802 5.173 1.00 0.00 H new ATOM 0 HB VAL A 14 0.873 6.032 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.197 5.467 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.930 6.619 7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.379 4.903 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.399 3.821 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.129 3.187 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.145 3.760 5.091 1.00 0.00 H new ATOM 230 N VAL A 15 -2.717 7.114 5.415 1.00 0.00 N ATOM 231 CA VAL A 15 -3.287 8.449 5.467 1.00 0.00 C ATOM 232 C VAL A 15 -3.524 8.869 6.897 1.00 0.00 C ATOM 233 O VAL A 15 -3.914 8.066 7.743 1.00 0.00 O ATOM 234 CB VAL A 15 -4.600 8.526 4.651 1.00 0.00 C ATOM 235 CG1 VAL A 15 -4.321 8.402 3.162 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.600 7.459 5.099 1.00 0.00 C ATOM 0 H VAL A 15 -3.333 6.372 5.747 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.572 9.139 5.018 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.045 9.503 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.259 8.459 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.664 9.213 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.839 7.445 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.510 7.542 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.164 6.470 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.839 7.604 6.152 1.00 0.00 H new ATOM 246 N VAL A 16 -3.216 10.119 7.194 1.00 0.00 N ATOM 247 CA VAL A 16 -3.378 10.649 8.534 1.00 0.00 C ATOM 248 C VAL A 16 -4.395 11.781 8.515 1.00 0.00 C ATOM 249 O VAL A 16 -4.343 12.685 7.679 1.00 0.00 O ATOM 250 CB VAL A 16 -2.008 11.150 9.088 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.411 12.239 8.215 1.00 0.00 C ATOM 252 CG2 VAL A 16 -2.156 11.632 10.516 1.00 0.00 C ATOM 0 H VAL A 16 -2.850 10.790 6.519 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.741 9.859 9.191 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.319 10.305 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.458 12.560 8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.252 11.852 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.094 13.088 8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.190 11.977 10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.872 12.453 10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.512 10.813 11.141 1.00 0.00 H new ATOM 262 N ASN A 17 -5.349 11.714 9.428 1.00 0.00 N ATOM 263 CA ASN A 17 -6.416 12.704 9.497 1.00 0.00 C ATOM 264 C ASN A 17 -5.919 13.975 10.201 1.00 0.00 C ATOM 265 O ASN A 17 -4.838 13.977 10.775 1.00 0.00 O ATOM 266 CB ASN A 17 -7.620 12.086 10.227 1.00 0.00 C ATOM 267 CG ASN A 17 -8.827 12.991 10.285 1.00 0.00 C ATOM 268 OD1 ASN A 17 -8.992 13.771 11.219 1.00 0.00 O ATOM 269 ND2 ASN A 17 -9.706 12.921 9.292 1.00 0.00 N ATOM 0 H ASN A 17 -5.408 10.982 10.136 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.726 12.992 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.898 11.157 9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.323 11.826 11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.532 13.520 9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.556 12.268 8.523 1.00 0.00 H new ATOM 276 N HIS A 18 -6.718 15.048 10.169 1.00 0.00 N ATOM 277 CA HIS A 18 -6.383 16.299 10.865 1.00 0.00 C ATOM 278 C HIS A 18 -6.449 16.114 12.379 1.00 0.00 C ATOM 279 O HIS A 18 -6.176 17.026 13.157 1.00 0.00 O ATOM 280 CB HIS A 18 -7.327 17.429 10.448 1.00 0.00 C ATOM 281 CG HIS A 18 -7.106 17.927 9.036 1.00 0.00 C ATOM 282 ND1 HIS A 18 -8.138 18.023 8.134 1.00 0.00 N ATOM 283 CD2 HIS A 18 -6.004 18.362 8.404 1.00 0.00 C ATOM 284 CE1 HIS A 18 -7.669 18.501 6.996 1.00 0.00 C ATOM 285 NE2 HIS A 18 -6.368 18.711 7.137 1.00 0.00 N ATOM 0 H HIS A 18 -7.605 15.076 9.667 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.365 16.567 10.583 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.356 17.082 10.543 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.206 18.263 11.139 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.010 18.424 8.823 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.247 18.689 6.103 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.743 19.074 6.417 1.00 0.00 H new ATOM 294 N GLU A 19 -6.816 14.914 12.783 1.00 0.00 N ATOM 295 CA GLU A 19 -6.825 14.520 14.194 1.00 0.00 C ATOM 296 C GLU A 19 -5.728 13.491 14.432 1.00 0.00 C ATOM 297 O GLU A 19 -5.712 12.790 15.439 1.00 0.00 O ATOM 298 CB GLU A 19 -8.208 13.958 14.554 1.00 0.00 C ATOM 299 CG GLU A 19 -8.436 13.782 16.059 1.00 0.00 C ATOM 300 CD GLU A 19 -9.830 13.290 16.399 1.00 0.00 C ATOM 301 OE1 GLU A 19 -10.024 12.054 16.425 1.00 0.00 O ATOM 302 OE2 GLU A 19 -10.729 14.121 16.625 1.00 0.00 O ATOM 0 H GLU A 19 -7.119 14.176 12.147 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.631 15.382 14.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.974 14.623 14.156 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.336 12.994 14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.703 13.077 16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.262 14.734 16.560 1.00 0.00 H new ATOM 309 N GLU A 20 -4.805 13.429 13.454 1.00 0.00 N ATOM 310 CA GLU A 20 -3.692 12.483 13.423 1.00 0.00 C ATOM 311 C GLU A 20 -4.184 11.053 13.676 1.00 0.00 C ATOM 312 O GLU A 20 -3.678 10.313 14.510 1.00 0.00 O ATOM 313 CB GLU A 20 -2.519 12.878 14.347 1.00 0.00 C ATOM 314 CG GLU A 20 -2.845 12.998 15.830 1.00 0.00 C ATOM 315 CD GLU A 20 -1.636 13.390 16.636 1.00 0.00 C ATOM 316 OE1 GLU A 20 -1.139 14.515 16.455 1.00 0.00 O ATOM 317 OE2 GLU A 20 -1.184 12.578 17.471 1.00 0.00 O ATOM 0 H GLU A 20 -4.820 14.054 12.648 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.277 12.521 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.726 12.140 14.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.120 13.833 14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.632 13.739 15.971 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.233 12.047 16.195 1.00 0.00 H new ATOM 324 N GLN A 21 -5.216 10.713 12.935 1.00 0.00 N ATOM 325 CA GLN A 21 -5.741 9.354 12.905 1.00 0.00 C ATOM 326 C GLN A 21 -5.074 8.614 11.758 1.00 0.00 C ATOM 327 O GLN A 21 -5.076 9.107 10.624 1.00 0.00 O ATOM 328 CB GLN A 21 -7.255 9.383 12.699 1.00 0.00 C ATOM 329 CG GLN A 21 -7.976 8.188 13.262 1.00 0.00 C ATOM 330 CD GLN A 21 -7.948 8.172 14.778 1.00 0.00 C ATOM 331 OE1 GLN A 21 -7.067 7.546 15.384 1.00 0.00 O ATOM 332 NE2 GLN A 21 -8.857 8.918 15.375 1.00 0.00 N ATOM 0 H GLN A 21 -5.719 11.366 12.334 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.533 8.850 13.849 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.656 10.286 13.160 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.464 9.450 11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.010 8.193 12.918 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.518 7.275 12.881 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.558 9.410 14.820 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.859 9.003 16.391 1.00 0.00 H new ATOM 341 N TYR A 22 -4.524 7.452 12.022 1.00 0.00 N ATOM 342 CA TYR A 22 -3.853 6.679 11.003 1.00 0.00 C ATOM 343 C TYR A 22 -4.766 5.614 10.406 1.00 0.00 C ATOM 344 O TYR A 22 -5.528 4.959 11.119 1.00 0.00 O ATOM 345 CB TYR A 22 -2.579 6.025 11.542 1.00 0.00 C ATOM 346 CG TYR A 22 -1.503 7.023 11.930 1.00 0.00 C ATOM 347 CD1 TYR A 22 -1.532 7.652 13.154 1.00 0.00 C ATOM 348 CD2 TYR A 22 -0.469 7.333 11.062 1.00 0.00 C ATOM 349 CE1 TYR A 22 -0.565 8.560 13.525 1.00 0.00 C ATOM 350 CE2 TYR A 22 0.508 8.235 11.415 1.00 0.00 C ATOM 351 CZ TYR A 22 0.461 8.851 12.650 1.00 0.00 C ATOM 352 OH TYR A 22 1.420 9.774 13.008 1.00 0.00 O ATOM 0 H TYR A 22 -4.529 7.017 12.945 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.579 7.379 10.214 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.832 5.419 12.412 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.180 5.348 10.787 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.334 7.428 13.842 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.429 6.859 10.092 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.610 9.040 14.492 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.310 8.461 10.728 1.00 0.00 H new ATOM 0 HH TYR A 22 2.296 9.479 12.683 1.00 0.00 H new ATOM 362 N SER A 23 -4.712 5.487 9.094 1.00 0.00 N ATOM 363 CA SER A 23 -5.475 4.495 8.367 1.00 0.00 C ATOM 364 C SER A 23 -4.760 4.173 7.056 1.00 0.00 C ATOM 365 O SER A 23 -3.779 4.827 6.712 1.00 0.00 O ATOM 366 CB SER A 23 -6.899 5.002 8.098 1.00 0.00 C ATOM 367 OG SER A 23 -7.578 5.264 9.322 1.00 0.00 O ATOM 0 H SER A 23 -4.131 6.077 8.498 1.00 0.00 H new ATOM 0 HA SER A 23 -5.551 3.587 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.860 5.910 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.452 4.261 7.521 1.00 0.00 H new ATOM 0 HG SER A 23 -7.800 6.217 9.375 1.00 0.00 H new ATOM 373 N ILE A 24 -5.259 3.180 6.339 1.00 0.00 N ATOM 374 CA ILE A 24 -4.654 2.803 5.070 1.00 0.00 C ATOM 375 C ILE A 24 -5.603 3.132 3.928 1.00 0.00 C ATOM 376 O ILE A 24 -6.828 3.028 4.074 1.00 0.00 O ATOM 377 CB ILE A 24 -4.270 1.309 5.027 1.00 0.00 C ATOM 378 CG1 ILE A 24 -5.496 0.418 5.210 1.00 0.00 C ATOM 379 CG2 ILE A 24 -3.206 0.987 6.069 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.242 -1.055 5.022 1.00 0.00 C ATOM 0 H ILE A 24 -6.072 2.625 6.608 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.734 3.377 4.962 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.851 1.104 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.898 0.578 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.265 0.733 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.954 -0.072 6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.314 1.582 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.588 1.220 7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.170 -1.606 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.872 -1.235 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.499 -1.391 5.746 1.00 0.00 H new ATOM 392 N TRP A 25 -5.041 3.538 2.810 1.00 0.00 N ATOM 393 CA TRP A 25 -5.825 3.911 1.650 1.00 0.00 C ATOM 394 C TRP A 25 -5.085 3.468 0.389 1.00 0.00 C ATOM 395 O TRP A 25 -3.870 3.606 0.316 1.00 0.00 O ATOM 396 CB TRP A 25 -6.027 5.439 1.648 1.00 0.00 C ATOM 397 CG TRP A 25 -6.932 5.951 0.567 1.00 0.00 C ATOM 398 CD1 TRP A 25 -6.557 6.555 -0.607 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.372 5.911 0.544 1.00 0.00 C ATOM 400 NE1 TRP A 25 -7.658 6.897 -1.343 1.00 0.00 N ATOM 401 CE2 TRP A 25 -8.786 6.515 -0.665 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.346 5.446 1.431 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -10.121 6.641 -1.012 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.684 5.588 1.080 1.00 0.00 C ATOM 405 CH2 TRP A 25 -11.060 6.167 -0.142 1.00 0.00 C ATOM 0 H TRP A 25 -4.033 3.619 2.678 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.801 3.427 1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.432 5.739 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -5.054 5.920 1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.535 6.735 -0.908 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.642 7.362 -2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -9.066 4.987 2.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -10.411 7.101 -1.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.449 5.246 1.761 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -12.107 6.239 -0.398 1.00 0.00 H new ATOM 416 N PRO A 26 -5.789 2.879 -0.579 1.00 0.00 N ATOM 417 CA PRO A 26 -5.176 2.472 -1.851 1.00 0.00 C ATOM 418 C PRO A 26 -4.572 3.656 -2.581 1.00 0.00 C ATOM 419 O PRO A 26 -5.250 4.659 -2.820 1.00 0.00 O ATOM 420 CB PRO A 26 -6.348 1.888 -2.654 1.00 0.00 C ATOM 421 CG PRO A 26 -7.372 1.556 -1.635 1.00 0.00 C ATOM 422 CD PRO A 26 -7.223 2.547 -0.542 1.00 0.00 C ATOM 0 HA PRO A 26 -4.360 1.764 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.729 2.607 -3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.044 1.003 -3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.373 1.600 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.230 0.542 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.844 3.427 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.515 2.130 0.422 1.00 0.00 H new ATOM 430 N GLU A 27 -3.312 3.544 -2.959 1.00 0.00 N ATOM 431 CA GLU A 27 -2.581 4.661 -3.529 1.00 0.00 C ATOM 432 C GLU A 27 -3.082 4.999 -4.938 1.00 0.00 C ATOM 433 O GLU A 27 -2.779 6.067 -5.484 1.00 0.00 O ATOM 434 CB GLU A 27 -1.084 4.363 -3.575 1.00 0.00 C ATOM 435 CG GLU A 27 -0.718 3.169 -4.462 1.00 0.00 C ATOM 436 CD GLU A 27 0.725 3.211 -4.908 1.00 0.00 C ATOM 437 OE1 GLU A 27 1.630 3.010 -4.075 1.00 0.00 O ATOM 438 OE2 GLU A 27 0.954 3.464 -6.107 1.00 0.00 O ATOM 0 H GLU A 27 -2.770 2.684 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.755 5.523 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.558 5.247 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.730 4.173 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.901 2.243 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.367 3.156 -5.338 1.00 0.00 H new ATOM 445 N TYR A 28 -3.842 4.070 -5.519 1.00 0.00 N ATOM 446 CA TYR A 28 -4.390 4.257 -6.846 1.00 0.00 C ATOM 447 C TYR A 28 -5.405 5.408 -6.857 1.00 0.00 C ATOM 448 O TYR A 28 -5.548 6.118 -7.849 1.00 0.00 O ATOM 449 CB TYR A 28 -5.084 2.975 -7.316 1.00 0.00 C ATOM 450 CG TYR A 28 -4.283 1.697 -7.111 1.00 0.00 C ATOM 451 CD1 TYR A 28 -3.373 1.255 -8.064 1.00 0.00 C ATOM 452 CD2 TYR A 28 -4.441 0.930 -5.964 1.00 0.00 C ATOM 453 CE1 TYR A 28 -2.650 0.085 -7.867 1.00 0.00 C ATOM 454 CE2 TYR A 28 -3.739 -0.226 -5.754 1.00 0.00 C ATOM 455 CZ TYR A 28 -2.838 -0.650 -6.710 1.00 0.00 C ATOM 456 OH TYR A 28 -2.129 -1.814 -6.519 1.00 0.00 O ATOM 0 H TYR A 28 -4.088 3.181 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.568 4.499 -7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.033 2.879 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.317 3.074 -8.376 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.226 1.827 -8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.143 1.257 -5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.945 -0.249 -8.613 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.888 -0.800 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.271 -1.755 -6.988 1.00 0.00 H new ATOM 466 N LYS A 29 -6.097 5.564 -5.749 1.00 0.00 N ATOM 467 CA LYS A 29 -7.170 6.555 -5.638 1.00 0.00 C ATOM 468 C LYS A 29 -6.703 7.772 -4.856 1.00 0.00 C ATOM 469 O LYS A 29 -5.765 7.692 -4.077 1.00 0.00 O ATOM 470 CB LYS A 29 -8.388 5.938 -4.944 1.00 0.00 C ATOM 471 CG LYS A 29 -9.009 4.791 -5.734 1.00 0.00 C ATOM 472 CD LYS A 29 -10.205 4.178 -5.026 1.00 0.00 C ATOM 473 CE LYS A 29 -9.826 3.568 -3.697 1.00 0.00 C ATOM 474 NZ LYS A 29 -10.988 2.898 -3.039 1.00 0.00 N ATOM 0 H LYS A 29 -5.942 5.018 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.446 6.870 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.093 5.575 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.140 6.712 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.318 5.154 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.256 4.021 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.965 4.944 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.650 3.413 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.026 2.843 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.435 4.345 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.686 2.493 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.742 3.595 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.346 2.140 -3.654 1.00 0.00 H new ATOM 488 N GLU A 30 -7.376 8.898 -5.075 1.00 0.00 N ATOM 489 CA GLU A 30 -7.042 10.130 -4.387 1.00 0.00 C ATOM 490 C GLU A 30 -7.548 10.074 -2.943 1.00 0.00 C ATOM 491 O GLU A 30 -8.541 9.394 -2.652 1.00 0.00 O ATOM 492 CB GLU A 30 -7.631 11.326 -5.119 1.00 0.00 C ATOM 493 CG GLU A 30 -7.368 12.664 -4.447 1.00 0.00 C ATOM 494 CD GLU A 30 -5.895 13.012 -4.363 1.00 0.00 C ATOM 495 OE1 GLU A 30 -5.191 12.471 -3.475 1.00 0.00 O ATOM 496 OE2 GLU A 30 -5.436 13.841 -5.187 1.00 0.00 O ATOM 0 H GLU A 30 -8.157 8.977 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.958 10.244 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.224 11.354 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.708 11.185 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.889 13.448 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.788 12.647 -3.441 1.00 0.00 H new ATOM 503 N ILE A 31 -6.864 10.772 -2.053 1.00 0.00 N ATOM 504 CA ILE A 31 -7.173 10.773 -0.635 1.00 0.00 C ATOM 505 C ILE A 31 -8.385 11.670 -0.353 1.00 0.00 C ATOM 506 O ILE A 31 -8.484 12.765 -0.902 1.00 0.00 O ATOM 507 CB ILE A 31 -5.970 11.268 0.190 1.00 0.00 C ATOM 508 CG1 ILE A 31 -4.706 10.497 -0.179 1.00 0.00 C ATOM 509 CG2 ILE A 31 -6.262 11.151 1.681 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.486 10.956 0.582 1.00 0.00 C ATOM 0 H ILE A 31 -6.068 11.361 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.404 9.748 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.802 12.319 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.867 9.436 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.521 10.605 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.402 11.505 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.134 11.755 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.459 10.109 1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.622 10.368 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.302 12.010 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.652 10.822 1.651 1.00 0.00 H new ATOM 522 N PRO A 32 -9.324 11.195 0.482 1.00 0.00 N ATOM 523 CA PRO A 32 -10.444 12.016 0.947 1.00 0.00 C ATOM 524 C PRO A 32 -9.946 13.288 1.651 1.00 0.00 C ATOM 525 O PRO A 32 -8.921 13.251 2.334 1.00 0.00 O ATOM 526 CB PRO A 32 -11.188 11.124 1.934 1.00 0.00 C ATOM 527 CG PRO A 32 -10.799 9.741 1.548 1.00 0.00 C ATOM 528 CD PRO A 32 -9.391 9.834 1.033 1.00 0.00 C ATOM 0 HA PRO A 32 -11.073 12.349 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.902 11.345 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.266 11.268 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.858 9.067 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.469 9.347 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.661 9.685 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.190 9.081 0.271 1.00 0.00 H new ATOM 536 N GLN A 33 -10.657 14.388 1.466 1.00 0.00 N ATOM 537 CA GLN A 33 -10.265 15.649 2.064 1.00 0.00 C ATOM 538 C GLN A 33 -10.427 15.565 3.583 1.00 0.00 C ATOM 539 O GLN A 33 -11.509 15.275 4.095 1.00 0.00 O ATOM 540 CB GLN A 33 -11.062 16.819 1.487 1.00 0.00 C ATOM 541 CG GLN A 33 -12.576 16.640 1.550 1.00 0.00 C ATOM 542 CD GLN A 33 -13.328 17.804 0.929 1.00 0.00 C ATOM 543 OE1 GLN A 33 -13.629 17.794 -0.256 1.00 0.00 O ATOM 544 NE2 GLN A 33 -13.613 18.823 1.731 1.00 0.00 N ATOM 0 H GLN A 33 -11.508 14.431 0.906 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.217 15.835 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.793 17.727 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.768 16.966 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.851 15.719 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.882 16.528 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.343 18.789 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.102 19.640 1.364 1.00 0.00 H new ATOM 553 N GLY A 34 -9.337 15.793 4.297 1.00 0.00 N ATOM 554 CA GLY A 34 -9.332 15.616 5.732 1.00 0.00 C ATOM 555 C GLY A 34 -8.176 14.727 6.173 1.00 0.00 C ATOM 556 O GLY A 34 -7.778 14.766 7.334 1.00 0.00 O ATOM 0 H GLY A 34 -8.448 16.100 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.254 16.587 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.276 15.174 6.050 1.00 0.00 H new ATOM 560 N TRP A 35 -7.663 13.955 5.228 1.00 0.00 N ATOM 561 CA TRP A 35 -6.548 13.073 5.497 1.00 0.00 C ATOM 562 C TRP A 35 -5.374 13.484 4.632 1.00 0.00 C ATOM 563 O TRP A 35 -5.557 14.180 3.626 1.00 0.00 O ATOM 564 CB TRP A 35 -6.920 11.615 5.179 1.00 0.00 C ATOM 565 CG TRP A 35 -8.151 11.130 5.889 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.452 11.462 5.628 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.209 10.211 6.992 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.292 10.822 6.492 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.563 10.034 7.324 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.229 9.499 7.705 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -9.963 9.196 8.368 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -7.636 8.660 8.734 1.00 0.00 C ATOM 573 CH2 TRP A 35 -8.996 8.535 9.067 1.00 0.00 C ATOM 0 H TRP A 35 -8.005 13.924 4.267 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.288 13.147 6.553 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.070 11.515 4.104 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.082 10.971 5.445 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.770 12.137 4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.307 10.920 6.510 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.183 9.602 7.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.008 9.075 8.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.898 8.096 9.286 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -9.281 7.902 9.894 1.00 0.00 H new ATOM 584 N ARG A 36 -4.173 13.079 5.021 1.00 0.00 N ATOM 585 CA ARG A 36 -2.976 13.374 4.240 1.00 0.00 C ATOM 586 C ARG A 36 -2.081 12.141 4.146 1.00 0.00 C ATOM 587 O ARG A 36 -2.117 11.283 5.015 1.00 0.00 O ATOM 588 CB ARG A 36 -2.194 14.541 4.844 1.00 0.00 C ATOM 589 CG ARG A 36 -2.891 15.879 4.653 1.00 0.00 C ATOM 590 CD ARG A 36 -2.027 17.037 5.103 1.00 0.00 C ATOM 591 NE ARG A 36 -2.515 18.313 4.592 1.00 0.00 N ATOM 592 CZ ARG A 36 -1.765 19.172 3.888 1.00 0.00 C ATOM 593 NH1 ARG A 36 -0.479 18.920 3.701 1.00 0.00 N ATOM 594 NH2 ARG A 36 -2.300 20.284 3.400 1.00 0.00 N ATOM 0 H ARG A 36 -4.000 12.545 5.873 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.296 13.659 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.047 14.362 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.205 14.584 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.149 16.006 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.826 15.884 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.001 17.068 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.003 16.878 4.765 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.485 18.567 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.063 18.075 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.096 19.571 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.286 20.488 3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.725 20.934 2.865 1.00 0.00 H new ATOM 608 N ALA A 37 -1.308 12.043 3.079 1.00 0.00 N ATOM 609 CA ALA A 37 -0.441 10.889 2.879 1.00 0.00 C ATOM 610 C ALA A 37 0.748 10.937 3.828 1.00 0.00 C ATOM 611 O ALA A 37 1.411 11.972 3.956 1.00 0.00 O ATOM 612 CB ALA A 37 0.037 10.851 1.426 1.00 0.00 C ATOM 0 H ALA A 37 -1.261 12.744 2.339 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.007 9.982 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.685 9.987 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.824 10.776 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.591 11.763 1.201 1.00 0.00 H new ATOM 618 N ALA A 38 1.052 9.819 4.465 1.00 0.00 N ATOM 619 CA ALA A 38 2.114 9.748 5.425 1.00 0.00 C ATOM 620 C ALA A 38 2.685 8.349 5.540 1.00 0.00 C ATOM 621 O ALA A 38 2.097 7.388 5.039 1.00 0.00 O ATOM 622 CB ALA A 38 1.635 10.231 6.777 1.00 0.00 C ATOM 0 H ALA A 38 0.560 8.937 4.322 1.00 0.00 H new ATOM 0 HA ALA A 38 2.914 10.400 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.453 10.171 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.298 11.265 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.809 9.606 7.115 1.00 0.00 H new ATOM 628 N GLY A 39 3.821 8.240 6.197 1.00 0.00 N ATOM 629 CA GLY A 39 4.412 6.953 6.477 1.00 0.00 C ATOM 630 C GLY A 39 5.023 6.255 5.277 1.00 0.00 C ATOM 631 O GLY A 39 6.098 6.627 4.806 1.00 0.00 O ATOM 0 H GLY A 39 4.355 9.035 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.184 7.082 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.648 6.304 6.906 1.00 0.00 H new ATOM 635 N LYS A 40 4.319 5.241 4.791 1.00 0.00 N ATOM 636 CA LYS A 40 4.811 4.423 3.705 1.00 0.00 C ATOM 637 C LYS A 40 3.783 4.310 2.597 1.00 0.00 C ATOM 638 O LYS A 40 2.578 4.224 2.852 1.00 0.00 O ATOM 639 CB LYS A 40 5.172 3.020 4.216 1.00 0.00 C ATOM 640 CG LYS A 40 6.133 3.019 5.378 1.00 0.00 C ATOM 641 CD LYS A 40 6.415 1.606 5.879 1.00 0.00 C ATOM 642 CE LYS A 40 7.260 1.616 7.150 1.00 0.00 C ATOM 643 NZ LYS A 40 8.567 2.303 6.953 1.00 0.00 N ATOM 0 H LYS A 40 3.400 4.969 5.139 1.00 0.00 H new ATOM 0 HA LYS A 40 5.703 4.904 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.258 2.506 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.607 2.447 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.068 3.491 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.721 3.617 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.473 1.094 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.931 1.041 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.707 2.113 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.436 0.591 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.147 2.197 7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.064 1.879 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.404 3.313 6.768 1.00 0.00 H new ATOM 657 N SER A 41 4.262 4.337 1.364 1.00 0.00 N ATOM 658 CA SER A 41 3.422 4.092 0.202 1.00 0.00 C ATOM 659 C SER A 41 4.017 2.942 -0.593 1.00 0.00 C ATOM 660 O SER A 41 5.125 3.031 -1.107 1.00 0.00 O ATOM 661 CB SER A 41 3.307 5.354 -0.664 1.00 0.00 C ATOM 662 OG SER A 41 2.310 5.217 -1.661 1.00 0.00 O ATOM 0 H SER A 41 5.239 4.528 1.140 1.00 0.00 H new ATOM 0 HA SER A 41 2.415 3.829 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.073 6.210 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.268 5.560 -1.136 1.00 0.00 H new ATOM 0 HG SER A 41 2.263 6.039 -2.192 1.00 0.00 H new ATOM 668 N GLY A 42 3.275 1.855 -0.699 1.00 0.00 N ATOM 669 CA GLY A 42 3.796 0.664 -1.316 1.00 0.00 C ATOM 670 C GLY A 42 2.864 -0.494 -1.171 1.00 0.00 C ATOM 671 O GLY A 42 1.684 -0.374 -1.451 1.00 0.00 O ATOM 0 H GLY A 42 2.314 1.779 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.977 0.853 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.757 0.414 -0.867 1.00 0.00 H new ATOM 675 N LEU A 43 3.386 -1.629 -0.714 1.00 0.00 N ATOM 676 CA LEU A 43 2.580 -2.809 -0.503 1.00 0.00 C ATOM 677 C LEU A 43 1.735 -2.670 0.755 1.00 0.00 C ATOM 678 O LEU A 43 2.074 -1.891 1.661 1.00 0.00 O ATOM 679 CB LEU A 43 3.466 -4.054 -0.408 1.00 0.00 C ATOM 680 CG LEU A 43 4.030 -4.597 -1.735 1.00 0.00 C ATOM 681 CD1 LEU A 43 2.902 -4.944 -2.698 1.00 0.00 C ATOM 682 CD2 LEU A 43 4.992 -3.610 -2.365 1.00 0.00 C ATOM 0 H LEU A 43 4.373 -1.748 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 43 1.911 -2.918 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.304 -3.828 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.890 -4.847 0.068 1.00 0.00 H new ATOM 0 HG LEU A 43 4.585 -5.509 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.322 -5.325 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.262 -5.704 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.313 -4.051 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.374 -4.020 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.473 -2.673 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.823 -3.426 -1.684 1.00 0.00 H new ATOM 694 N LYS A 44 0.638 -3.417 0.816 1.00 0.00 N ATOM 695 CA LYS A 44 -0.277 -3.353 1.938 1.00 0.00 C ATOM 696 C LYS A 44 0.426 -3.722 3.234 1.00 0.00 C ATOM 697 O LYS A 44 0.230 -3.078 4.272 1.00 0.00 O ATOM 698 CB LYS A 44 -1.475 -4.273 1.671 1.00 0.00 C ATOM 699 CG LYS A 44 -2.441 -4.380 2.847 1.00 0.00 C ATOM 700 CD LYS A 44 -3.710 -5.137 2.455 1.00 0.00 C ATOM 701 CE LYS A 44 -3.412 -6.541 1.945 1.00 0.00 C ATOM 702 NZ LYS A 44 -2.833 -7.404 3.009 1.00 0.00 N ATOM 0 H LYS A 44 0.363 -4.079 0.090 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.638 -2.330 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.017 -3.905 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.108 -5.269 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.952 -4.890 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.704 -3.382 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.374 -5.199 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.240 -4.578 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.330 -6.994 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.718 -6.483 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.297 -8.335 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.813 -7.523 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.983 -6.959 3.937 1.00 0.00 H new ATOM 716 N LYS A 45 1.265 -4.744 3.153 1.00 0.00 N ATOM 717 CA LYS A 45 1.992 -5.223 4.303 1.00 0.00 C ATOM 718 C LYS A 45 2.953 -4.157 4.849 1.00 0.00 C ATOM 719 O LYS A 45 3.195 -4.128 6.052 1.00 0.00 O ATOM 720 CB LYS A 45 2.743 -6.506 3.968 1.00 0.00 C ATOM 721 CG LYS A 45 3.527 -6.485 2.651 1.00 0.00 C ATOM 722 CD LYS A 45 4.993 -6.158 2.878 1.00 0.00 C ATOM 723 CE LYS A 45 5.745 -6.050 1.558 1.00 0.00 C ATOM 724 NZ LYS A 45 5.647 -7.293 0.718 1.00 0.00 N ATOM 0 H LYS A 45 1.455 -5.257 2.292 1.00 0.00 H new ATOM 0 HA LYS A 45 1.265 -5.441 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.436 -6.724 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.027 -7.327 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.442 -7.455 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.089 -5.748 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.078 -5.219 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.449 -6.931 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.353 -5.205 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.795 -5.838 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.298 -7.218 -0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.902 -8.121 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.673 -7.400 0.369 1.00 0.00 H new ATOM 738 N ASP A 46 3.457 -3.313 3.967 1.00 0.00 N ATOM 739 CA ASP A 46 4.361 -2.241 4.372 1.00 0.00 C ATOM 740 C ASP A 46 3.598 -1.150 5.113 1.00 0.00 C ATOM 741 O ASP A 46 4.109 -0.564 6.073 1.00 0.00 O ATOM 742 CB ASP A 46 5.076 -1.611 3.163 1.00 0.00 C ATOM 743 CG ASP A 46 6.125 -2.530 2.559 1.00 0.00 C ATOM 744 OD1 ASP A 46 7.191 -2.692 3.172 1.00 0.00 O ATOM 745 OD2 ASP A 46 5.911 -3.029 1.448 1.00 0.00 O ATOM 0 H ASP A 46 3.259 -3.345 2.967 1.00 0.00 H new ATOM 0 HA ASP A 46 5.108 -2.686 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.339 -1.358 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.549 -0.679 3.471 1.00 0.00 H new ATOM 750 N CYS A 47 2.368 -0.916 4.678 1.00 0.00 N ATOM 751 CA CYS A 47 1.538 0.106 5.278 1.00 0.00 C ATOM 752 C CYS A 47 1.042 -0.333 6.648 1.00 0.00 C ATOM 753 O CYS A 47 1.083 0.446 7.612 1.00 0.00 O ATOM 754 CB CYS A 47 0.369 0.418 4.356 1.00 0.00 C ATOM 755 SG CYS A 47 0.859 0.822 2.674 1.00 0.00 S ATOM 0 H CYS A 47 1.927 -1.423 3.911 1.00 0.00 H new ATOM 0 HA CYS A 47 2.133 1.009 5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.302 -0.440 4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.196 1.253 4.770 1.00 0.00 H new ATOM 0 HG CYS A 47 1.372 -0.229 2.107 1.00 0.00 H new ATOM 761 N LEU A 48 0.589 -1.573 6.730 1.00 0.00 N ATOM 762 CA LEU A 48 0.148 -2.150 7.992 1.00 0.00 C ATOM 763 C LEU A 48 1.252 -2.063 9.025 1.00 0.00 C ATOM 764 O LEU A 48 1.022 -1.716 10.178 1.00 0.00 O ATOM 765 CB LEU A 48 -0.266 -3.609 7.800 1.00 0.00 C ATOM 766 CG LEU A 48 -1.328 -3.868 6.732 1.00 0.00 C ATOM 767 CD1 LEU A 48 -1.675 -5.342 6.665 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.572 -3.034 6.984 1.00 0.00 C ATOM 0 H LEU A 48 0.516 -2.204 5.932 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.714 -1.583 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.623 -4.188 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.636 -3.990 8.752 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.914 -3.570 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.433 -5.503 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.781 -5.915 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.061 -5.669 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.310 -3.239 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.989 -3.288 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.311 -1.976 6.966 1.00 0.00 H new ATOM 780 N ALA A 49 2.461 -2.400 8.568 1.00 0.00 N ATOM 781 CA ALA A 49 3.646 -2.324 9.407 1.00 0.00 C ATOM 782 C ALA A 49 3.771 -0.937 10.024 1.00 0.00 C ATOM 783 O ALA A 49 3.951 -0.802 11.227 1.00 0.00 O ATOM 784 CB ALA A 49 4.887 -2.651 8.594 1.00 0.00 C ATOM 0 H ALA A 49 2.639 -2.728 7.619 1.00 0.00 H new ATOM 0 HA ALA A 49 3.551 -3.055 10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.767 -2.591 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.801 -3.659 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.984 -1.938 7.775 1.00 0.00 H new ATOM 790 N TYR A 50 3.638 0.086 9.175 1.00 0.00 N ATOM 791 CA TYR A 50 3.778 1.481 9.614 1.00 0.00 C ATOM 792 C TYR A 50 2.851 1.821 10.775 1.00 0.00 C ATOM 793 O TYR A 50 3.295 2.418 11.735 1.00 0.00 O ATOM 794 CB TYR A 50 3.561 2.460 8.458 1.00 0.00 C ATOM 795 CG TYR A 50 3.647 3.902 8.901 1.00 0.00 C ATOM 796 CD1 TYR A 50 4.869 4.499 9.167 1.00 0.00 C ATOM 797 CD2 TYR A 50 2.502 4.662 9.035 1.00 0.00 C ATOM 798 CE1 TYR A 50 4.935 5.821 9.561 1.00 0.00 C ATOM 799 CE2 TYR A 50 2.564 5.983 9.420 1.00 0.00 C ATOM 800 CZ TYR A 50 3.786 6.563 9.687 1.00 0.00 C ATOM 801 OH TYR A 50 3.849 7.883 10.073 1.00 0.00 O ATOM 0 H TYR A 50 3.434 -0.023 8.182 1.00 0.00 H new ATOM 0 HA TYR A 50 4.803 1.586 9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.306 2.275 7.684 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.584 2.278 8.010 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.778 3.925 9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.541 4.213 8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.893 6.273 9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.658 6.563 9.513 1.00 0.00 H new ATOM 0 HH TYR A 50 4.735 8.073 10.446 1.00 0.00 H new ATOM 811 N ILE A 51 1.595 1.437 10.691 1.00 0.00 N ATOM 812 CA ILE A 51 0.629 1.790 11.736 1.00 0.00 C ATOM 813 C ILE A 51 1.010 1.134 13.059 1.00 0.00 C ATOM 814 O ILE A 51 0.774 1.703 14.135 1.00 0.00 O ATOM 815 CB ILE A 51 -0.832 1.403 11.345 1.00 0.00 C ATOM 816 CG1 ILE A 51 -1.427 2.423 10.352 1.00 0.00 C ATOM 817 CG2 ILE A 51 -1.733 1.289 12.570 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.853 2.349 8.952 1.00 0.00 C ATOM 0 H ILE A 51 1.212 0.886 9.923 1.00 0.00 H new ATOM 0 HA ILE A 51 0.661 2.874 11.849 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.784 0.426 10.865 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.505 2.271 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.267 3.428 10.744 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.741 1.018 12.256 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.343 0.522 13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.760 2.245 13.092 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.329 3.101 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.221 2.534 8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.037 1.359 8.535 1.00 0.00 H new ATOM 830 N GLU A 52 1.558 -0.066 12.988 1.00 0.00 N ATOM 831 CA GLU A 52 2.009 -0.770 14.174 1.00 0.00 C ATOM 832 C GLU A 52 3.140 -0.008 14.870 1.00 0.00 C ATOM 833 O GLU A 52 3.149 0.093 16.103 1.00 0.00 O ATOM 834 CB GLU A 52 2.475 -2.167 13.785 1.00 0.00 C ATOM 835 CG GLU A 52 2.776 -3.085 14.956 1.00 0.00 C ATOM 836 CD GLU A 52 1.536 -3.425 15.752 1.00 0.00 C ATOM 837 OE1 GLU A 52 0.851 -4.403 15.396 1.00 0.00 O ATOM 838 OE2 GLU A 52 1.232 -2.710 16.731 1.00 0.00 O ATOM 0 H GLU A 52 1.702 -0.575 12.116 1.00 0.00 H new ATOM 0 HA GLU A 52 1.177 -0.844 14.875 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.708 -2.631 13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.371 -2.078 13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.231 -4.004 14.587 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.506 -2.608 15.610 1.00 0.00 H new ATOM 845 N GLU A 53 4.070 0.519 14.076 1.00 0.00 N ATOM 846 CA GLU A 53 5.285 1.136 14.591 1.00 0.00 C ATOM 847 C GLU A 53 5.051 2.119 15.768 1.00 0.00 C ATOM 848 O GLU A 53 5.541 1.853 16.868 1.00 0.00 O ATOM 849 CB GLU A 53 6.082 1.821 13.465 1.00 0.00 C ATOM 850 CG GLU A 53 6.275 0.955 12.215 1.00 0.00 C ATOM 851 CD GLU A 53 6.992 -0.364 12.466 1.00 0.00 C ATOM 852 OE1 GLU A 53 7.261 -0.699 13.640 1.00 0.00 O ATOM 853 OE2 GLU A 53 7.289 -1.082 11.483 1.00 0.00 O ATOM 0 H GLU A 53 4.000 0.529 13.058 1.00 0.00 H new ATOM 0 HA GLU A 53 5.872 0.314 15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.570 2.741 13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.061 2.107 13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.298 0.746 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.838 1.526 11.477 1.00 0.00 H new ATOM 860 N VAL A 54 4.286 3.217 15.606 1.00 0.00 N ATOM 861 CA VAL A 54 3.686 3.636 14.337 1.00 0.00 C ATOM 862 C VAL A 54 4.512 4.742 13.663 1.00 0.00 C ATOM 863 O VAL A 54 4.748 4.697 12.456 1.00 0.00 O ATOM 864 CB VAL A 54 2.232 4.141 14.551 1.00 0.00 C ATOM 865 CG1 VAL A 54 2.139 5.067 15.748 1.00 0.00 C ATOM 866 CG2 VAL A 54 1.711 4.849 13.309 1.00 0.00 C ATOM 0 H VAL A 54 4.067 3.848 16.377 1.00 0.00 H new ATOM 0 HA VAL A 54 3.673 2.762 13.686 1.00 0.00 H new ATOM 0 HB VAL A 54 1.612 3.265 14.743 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.109 5.402 15.870 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.456 4.535 16.645 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.785 5.931 15.591 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.692 5.192 13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.348 5.705 13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.720 4.158 12.466 1.00 0.00 H new ATOM 876 N TRP A 55 4.967 5.688 14.457 1.00 0.00 N ATOM 877 CA TRP A 55 5.687 6.839 13.930 1.00 0.00 C ATOM 878 C TRP A 55 7.141 6.771 14.390 1.00 0.00 C ATOM 879 O TRP A 55 7.807 7.793 14.542 1.00 0.00 O ATOM 880 CB TRP A 55 5.027 8.135 14.425 1.00 0.00 C ATOM 881 CG TRP A 55 5.361 9.341 13.600 1.00 0.00 C ATOM 882 CD1 TRP A 55 4.875 9.640 12.369 1.00 0.00 C ATOM 883 CD2 TRP A 55 6.253 10.423 13.941 1.00 0.00 C ATOM 884 NE1 TRP A 55 5.392 10.822 11.922 1.00 0.00 N ATOM 885 CE2 TRP A 55 6.255 11.323 12.868 1.00 0.00 C ATOM 886 CE3 TRP A 55 7.053 10.700 15.054 1.00 0.00 C ATOM 887 CZ2 TRP A 55 7.002 12.497 12.863 1.00 0.00 C ATOM 888 CZ3 TRP A 55 7.810 11.847 15.043 1.00 0.00 C ATOM 889 CH2 TRP A 55 7.772 12.742 13.959 1.00 0.00 C ATOM 0 H TRP A 55 4.854 5.687 15.471 1.00 0.00 H new ATOM 0 HA TRP A 55 5.656 6.829 12.840 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.945 8.000 14.432 1.00 0.00 H new ATOM 0 HB3 TRP A 55 5.333 8.316 15.455 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.176 9.028 11.819 1.00 0.00 H new ATOM 0 HE1 TRP A 55 5.173 11.263 11.029 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.075 10.030 15.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.972 13.182 12.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.449 12.066 15.886 1.00 0.00 H new ATOM 0 HH2 TRP A 55 8.366 13.643 13.997 1.00 0.00 H new ATOM 900 N THR A 56 7.635 5.568 14.561 1.00 0.00 N ATOM 901 CA THR A 56 8.974 5.352 15.093 1.00 0.00 C ATOM 902 C THR A 56 9.707 4.320 14.243 1.00 0.00 C ATOM 903 O THR A 56 9.126 3.314 13.828 1.00 0.00 O ATOM 904 CB THR A 56 8.929 4.917 16.573 1.00 0.00 C ATOM 905 OG1 THR A 56 10.250 4.791 17.116 1.00 0.00 O ATOM 906 CG2 THR A 56 8.201 3.603 16.735 1.00 0.00 C ATOM 0 H THR A 56 7.129 4.711 14.339 1.00 0.00 H new ATOM 0 HA THR A 56 9.518 6.295 15.051 1.00 0.00 H new ATOM 0 HB THR A 56 8.391 5.693 17.117 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.193 4.516 18.055 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.186 3.323 17.788 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.178 3.706 16.372 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.713 2.830 16.161 1.00 0.00 H new ATOM 914 N ASP A 57 10.974 4.567 13.968 1.00 0.00 N ATOM 915 CA ASP A 57 11.768 3.641 13.176 1.00 0.00 C ATOM 916 C ASP A 57 12.987 3.189 13.975 1.00 0.00 C ATOM 917 O ASP A 57 14.094 3.735 13.820 1.00 0.00 O ATOM 918 CB ASP A 57 12.184 4.266 11.851 1.00 0.00 C ATOM 919 CG ASP A 57 12.641 3.246 10.820 1.00 0.00 C ATOM 920 OD1 ASP A 57 13.776 2.754 10.921 1.00 0.00 O ATOM 921 OD2 ASP A 57 11.843 2.938 9.896 1.00 0.00 O ATOM 0 H ASP A 57 11.476 5.398 14.280 1.00 0.00 H new ATOM 0 HA ASP A 57 11.157 2.768 12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.345 4.831 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.991 4.977 12.030 1.00 0.00 H new ATOM 926 N MET A 58 12.764 2.250 14.875 1.00 0.00 N ATOM 927 CA MET A 58 13.849 1.682 15.687 1.00 0.00 C ATOM 928 C MET A 58 13.771 0.164 15.618 1.00 0.00 C ATOM 929 O MET A 58 14.771 -0.512 15.343 1.00 0.00 O ATOM 930 CB MET A 58 13.722 2.136 17.141 1.00 0.00 C ATOM 931 CG MET A 58 13.929 3.627 17.358 1.00 0.00 C ATOM 932 SD MET A 58 13.806 4.090 19.095 1.00 0.00 S ATOM 933 CE MET A 58 14.124 5.856 18.989 1.00 0.00 C ATOM 0 H MET A 58 11.843 1.857 15.070 1.00 0.00 H new ATOM 0 HA MET A 58 14.807 2.027 15.299 1.00 0.00 H new ATOM 0 HB2 MET A 58 12.733 1.862 17.508 1.00 0.00 H new ATOM 0 HB3 MET A 58 14.448 1.590 17.743 1.00 0.00 H new ATOM 0 HG2 MET A 58 14.909 3.915 16.976 1.00 0.00 H new ATOM 0 HG3 MET A 58 13.187 4.182 16.783 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.083 6.294 19.986 1.00 0.00 H new ATOM 0 HE2 MET A 58 15.112 6.023 18.560 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.370 6.324 18.356 1.00 0.00 H new ATOM 943 N ARG A 59 12.576 -0.359 15.824 1.00 0.00 N ATOM 944 CA ARG A 59 12.324 -1.793 15.745 1.00 0.00 C ATOM 945 C ARG A 59 11.053 -2.044 14.939 1.00 0.00 C ATOM 946 O ARG A 59 9.979 -2.243 15.503 1.00 0.00 O ATOM 947 CB ARG A 59 12.169 -2.385 17.150 1.00 0.00 C ATOM 948 CG ARG A 59 12.160 -3.910 17.186 1.00 0.00 C ATOM 949 CD ARG A 59 11.627 -4.419 18.516 1.00 0.00 C ATOM 950 NE ARG A 59 12.242 -3.751 19.667 1.00 0.00 N ATOM 951 CZ ARG A 59 11.607 -3.549 20.821 1.00 0.00 C ATOM 952 NH1 ARG A 59 10.359 -3.980 20.985 1.00 0.00 N ATOM 953 NH2 ARG A 59 12.215 -2.904 21.812 1.00 0.00 N ATOM 0 H ARG A 59 11.750 0.195 16.051 1.00 0.00 H new ATOM 0 HA ARG A 59 13.170 -2.274 15.253 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.983 -2.022 17.777 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.241 -2.016 17.588 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.544 -4.293 16.372 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.170 -4.287 17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.548 -4.272 18.550 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.805 -5.492 18.587 1.00 0.00 H new ATOM 0 HE ARG A 59 13.204 -3.424 19.580 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.884 -4.468 20.225 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.877 -3.823 21.870 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.169 -2.563 21.689 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.728 -2.750 22.695 1.00 0.00 H new ATOM 967 N PRO A 60 11.160 -1.976 13.598 1.00 0.00 N ATOM 968 CA PRO A 60 10.008 -2.107 12.712 1.00 0.00 C ATOM 969 C PRO A 60 9.319 -3.480 12.822 1.00 0.00 C ATOM 970 O PRO A 60 9.876 -4.435 13.378 1.00 0.00 O ATOM 971 CB PRO A 60 10.584 -1.914 11.315 1.00 0.00 C ATOM 972 CG PRO A 60 11.903 -1.241 11.523 1.00 0.00 C ATOM 973 CD PRO A 60 12.402 -1.734 12.849 1.00 0.00 C ATOM 0 HA PRO A 60 9.235 -1.382 12.968 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.706 -2.869 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.924 -1.304 10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.601 -1.491 10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.794 -0.156 11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.995 -2.643 12.745 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.034 -0.996 13.343 1.00 0.00 H new ATOM 981 N LEU A 61 8.105 -3.547 12.290 1.00 0.00 N ATOM 982 CA LEU A 61 7.341 -4.785 12.294 1.00 0.00 C ATOM 983 C LEU A 61 7.970 -5.838 11.386 1.00 0.00 C ATOM 984 O LEU A 61 7.587 -7.003 11.406 1.00 0.00 O ATOM 985 CB LEU A 61 5.899 -4.502 11.867 1.00 0.00 C ATOM 986 CG LEU A 61 4.969 -5.714 11.820 1.00 0.00 C ATOM 987 CD1 LEU A 61 4.742 -6.294 13.207 1.00 0.00 C ATOM 988 CD2 LEU A 61 3.644 -5.342 11.175 1.00 0.00 C ATOM 0 H LEU A 61 7.630 -2.758 11.851 1.00 0.00 H new ATOM 0 HA LEU A 61 7.347 -5.185 13.308 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.474 -3.768 12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.916 -4.042 10.879 1.00 0.00 H new ATOM 0 HG LEU A 61 5.451 -6.481 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.076 -7.154 13.137 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.696 -6.607 13.631 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.291 -5.537 13.848 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.994 -6.216 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.167 -4.551 11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.820 -4.991 10.158 1.00 0.00 H new ATOM 1000 N SER A 62 8.962 -5.417 10.581 1.00 0.00 N ATOM 1001 CA SER A 62 9.670 -6.315 9.704 1.00 0.00 C ATOM 1002 C SER A 62 10.269 -7.514 10.458 1.00 0.00 C ATOM 1003 O SER A 62 10.013 -8.667 10.099 1.00 0.00 O ATOM 1004 CB SER A 62 10.780 -5.535 8.988 1.00 0.00 C ATOM 1005 OG SER A 62 11.473 -4.720 9.906 1.00 0.00 O ATOM 0 H SER A 62 9.280 -4.449 10.533 1.00 0.00 H new ATOM 0 HA SER A 62 8.960 -6.717 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.473 -6.229 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.350 -4.920 8.197 1.00 0.00 H new ATOM 0 HG SER A 62 11.812 -3.924 9.446 1.00 0.00 H new ATOM 1011 N LEU A 63 11.025 -7.223 11.513 1.00 0.00 N ATOM 1012 CA LEU A 63 11.645 -8.285 12.299 1.00 0.00 C ATOM 1013 C LEU A 63 10.713 -8.685 13.451 1.00 0.00 C ATOM 1014 O LEU A 63 10.893 -9.727 14.084 1.00 0.00 O ATOM 1015 CB LEU A 63 13.021 -7.883 12.850 1.00 0.00 C ATOM 1016 CG LEU A 63 13.035 -6.718 13.851 1.00 0.00 C ATOM 1017 CD1 LEU A 63 14.334 -6.717 14.638 1.00 0.00 C ATOM 1018 CD2 LEU A 63 12.869 -5.390 13.143 1.00 0.00 C ATOM 0 H LEU A 63 11.221 -6.277 11.840 1.00 0.00 H new ATOM 0 HA LEU A 63 11.804 -9.134 11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.465 -8.754 13.331 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.664 -7.621 12.010 1.00 0.00 H new ATOM 0 HG LEU A 63 12.197 -6.854 14.535 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.331 -5.886 15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.430 -7.656 15.183 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.175 -6.608 13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.883 -4.583 13.876 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.686 -5.251 12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.919 -5.379 12.608 1.00 0.00 H new ATOM 1030 N ARG A 64 9.723 -7.851 13.718 1.00 0.00 N ATOM 1031 CA ARG A 64 8.778 -8.097 14.804 1.00 0.00 C ATOM 1032 C ARG A 64 7.779 -9.190 14.421 1.00 0.00 C ATOM 1033 O ARG A 64 7.355 -9.979 15.253 1.00 0.00 O ATOM 1034 CB ARG A 64 8.046 -6.810 15.162 1.00 0.00 C ATOM 1035 CG ARG A 64 7.078 -6.931 16.334 1.00 0.00 C ATOM 1036 CD ARG A 64 6.341 -5.623 16.591 1.00 0.00 C ATOM 1037 NE ARG A 64 5.609 -5.649 17.859 1.00 0.00 N ATOM 1038 CZ ARG A 64 4.933 -4.608 18.348 1.00 0.00 C ATOM 1039 NH1 ARG A 64 4.903 -3.457 17.692 1.00 0.00 N ATOM 1040 NH2 ARG A 64 4.243 -4.748 19.486 1.00 0.00 N ATOM 0 H ARG A 64 9.549 -6.992 13.197 1.00 0.00 H new ATOM 0 HA ARG A 64 9.336 -8.440 15.675 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.783 -6.042 15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.494 -6.467 14.287 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.356 -7.722 16.130 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.626 -7.223 17.230 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.055 -4.800 16.601 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.645 -5.432 15.774 1.00 0.00 H new ATOM 0 HE ARG A 64 5.616 -6.514 18.400 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.399 -3.362 16.806 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.384 -2.666 18.073 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.237 -5.645 19.972 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.723 -3.958 19.868 1.00 0.00 H new ATOM 1054 N GLN A 65 7.415 -9.212 13.141 1.00 0.00 N ATOM 1055 CA GLN A 65 6.488 -10.201 12.614 1.00 0.00 C ATOM 1056 C GLN A 65 7.209 -11.540 12.401 1.00 0.00 C ATOM 1057 O GLN A 65 7.966 -11.719 11.431 1.00 0.00 O ATOM 1058 CB GLN A 65 5.876 -9.698 11.305 1.00 0.00 C ATOM 1059 CG GLN A 65 4.933 -10.685 10.656 1.00 0.00 C ATOM 1060 CD GLN A 65 3.791 -11.097 11.566 1.00 0.00 C ATOM 1061 OE1 GLN A 65 3.914 -12.035 12.340 1.00 0.00 O ATOM 1062 NE2 GLN A 65 2.666 -10.397 11.463 1.00 0.00 N ATOM 0 H GLN A 65 7.754 -8.547 12.446 1.00 0.00 H new ATOM 0 HA GLN A 65 5.684 -10.357 13.333 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.339 -8.769 11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.679 -9.462 10.606 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.525 -10.245 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.492 -11.572 10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.607 -9.621 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.862 -10.636 12.044 1.00 0.00 H new ATOM 1071 N HIS A 66 6.990 -12.472 13.316 1.00 0.00 N ATOM 1072 CA HIS A 66 7.648 -13.768 13.260 1.00 0.00 C ATOM 1073 C HIS A 66 6.709 -14.843 12.696 1.00 0.00 C ATOM 1074 O HIS A 66 7.153 -15.749 11.989 1.00 0.00 O ATOM 1075 CB HIS A 66 8.130 -14.212 14.643 1.00 0.00 C ATOM 1076 CG HIS A 66 9.169 -13.297 15.226 1.00 0.00 C ATOM 1077 ND1 HIS A 66 8.937 -12.510 16.321 1.00 0.00 N ATOM 1078 CD2 HIS A 66 10.455 -13.077 14.872 1.00 0.00 C ATOM 1079 CE1 HIS A 66 10.030 -11.841 16.630 1.00 0.00 C ATOM 1080 NE2 HIS A 66 10.958 -12.177 15.748 1.00 0.00 N ATOM 0 H HIS A 66 6.359 -12.354 14.109 1.00 0.00 H new ATOM 0 HA HIS A 66 8.508 -13.654 12.600 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.277 -14.262 15.320 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.540 -15.219 14.572 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.981 -13.533 14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.147 -11.148 17.450 1.00 0.00 H new ATOM 0 HE2 HIS A 66 11.910 -11.812 15.731 1.00 0.00 H new ATOM 1089 N MET A 67 5.418 -14.735 12.998 1.00 0.00 N ATOM 1090 CA MET A 67 4.450 -15.769 12.646 1.00 0.00 C ATOM 1091 C MET A 67 4.121 -15.761 11.155 1.00 0.00 C ATOM 1092 O MET A 67 3.565 -16.720 10.628 1.00 0.00 O ATOM 1093 CB MET A 67 3.157 -15.612 13.470 1.00 0.00 C ATOM 1094 CG MET A 67 2.318 -14.400 13.103 1.00 0.00 C ATOM 1095 SD MET A 67 0.856 -14.228 14.151 1.00 0.00 S ATOM 1096 CE MET A 67 -0.034 -15.731 13.749 1.00 0.00 C ATOM 0 H MET A 67 5.016 -13.936 13.489 1.00 0.00 H new ATOM 0 HA MET A 67 4.910 -16.728 12.882 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.551 -16.509 13.345 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.420 -15.550 14.526 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.928 -13.501 13.186 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.007 -14.479 12.061 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.080 -15.623 14.037 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.030 -15.916 12.677 1.00 0.00 H new ATOM 0 HE3 MET A 67 0.406 -16.570 14.289 1.00 0.00 H new ATOM 1106 N ASP A 68 4.459 -14.672 10.478 1.00 0.00 N ATOM 1107 CA ASP A 68 4.171 -14.538 9.055 1.00 0.00 C ATOM 1108 C ASP A 68 5.333 -13.881 8.326 1.00 0.00 C ATOM 1109 O ASP A 68 5.748 -12.782 8.657 1.00 0.00 O ATOM 1110 CB ASP A 68 2.887 -13.725 8.836 1.00 0.00 C ATOM 1111 CG ASP A 68 2.708 -13.328 7.396 1.00 0.00 C ATOM 1112 OD1 ASP A 68 2.365 -14.204 6.565 1.00 0.00 O ATOM 1113 OD2 ASP A 68 2.931 -12.148 7.070 1.00 0.00 O ATOM 0 H ASP A 68 4.933 -13.868 10.890 1.00 0.00 H new ATOM 0 HA ASP A 68 4.027 -15.539 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.027 -14.312 9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.914 -12.830 9.458 1.00 0.00 H new ATOM 1118 N LYS A 69 5.854 -14.570 7.320 1.00 0.00 N ATOM 1119 CA LYS A 69 6.896 -14.025 6.453 1.00 0.00 C ATOM 1120 C LYS A 69 7.033 -14.892 5.219 1.00 0.00 C ATOM 1121 O LYS A 69 6.466 -15.986 5.166 1.00 0.00 O ATOM 1122 CB LYS A 69 8.225 -13.917 7.197 1.00 0.00 C ATOM 1123 CG LYS A 69 8.654 -15.195 7.920 1.00 0.00 C ATOM 1124 CD LYS A 69 9.978 -15.004 8.635 1.00 0.00 C ATOM 1125 CE LYS A 69 9.917 -13.884 9.654 1.00 0.00 C ATOM 1126 NZ LYS A 69 11.223 -13.639 10.288 1.00 0.00 N ATOM 0 H LYS A 69 5.569 -15.520 7.080 1.00 0.00 H new ATOM 0 HA LYS A 69 6.611 -13.018 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.003 -13.638 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.154 -13.109 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.888 -15.483 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.740 -16.011 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.258 -15.932 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.757 -14.787 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.574 -12.971 9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.183 -14.132 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.135 -12.865 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.540 -14.502 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.918 -13.377 9.560 1.00 0.00 H new ATOM 1140 N ALA A 70 7.790 -14.408 4.240 1.00 0.00 N ATOM 1141 CA ALA A 70 7.991 -15.137 2.998 1.00 0.00 C ATOM 1142 C ALA A 70 8.653 -16.497 3.269 1.00 0.00 C ATOM 1143 O ALA A 70 8.351 -17.484 2.597 1.00 0.00 O ATOM 1144 CB ALA A 70 8.826 -14.302 2.031 1.00 0.00 C ATOM 0 H ALA A 70 8.275 -13.512 4.285 1.00 0.00 H new ATOM 0 HA ALA A 70 7.020 -15.326 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.971 -14.856 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.309 -13.367 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.795 -14.086 2.480 1.00 0.00 H new ATOM 1150 N ALA A 71 9.551 -16.521 4.229 1.00 0.00 N ATOM 1151 CA ALA A 71 10.157 -17.772 4.649 1.00 0.00 C ATOM 1152 C ALA A 71 9.192 -18.562 5.533 1.00 0.00 C ATOM 1153 O ALA A 71 8.905 -18.154 6.668 1.00 0.00 O ATOM 1154 CB ALA A 71 11.448 -17.504 5.391 1.00 0.00 C ATOM 0 H ALA A 71 9.878 -15.697 4.733 1.00 0.00 H new ATOM 0 HA ALA A 71 10.379 -18.366 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.893 -18.450 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.140 -16.974 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.242 -16.895 6.271 1.00 0.00 H new ATOM 1160 N GLY A 72 8.685 -19.660 5.017 1.00 0.00 N ATOM 1161 CA GLY A 72 7.728 -20.464 5.751 1.00 0.00 C ATOM 1162 C GLY A 72 6.686 -21.077 4.834 1.00 0.00 C ATOM 1163 O GLY A 72 6.901 -22.191 4.329 1.00 0.00 O ATOM 1164 OXT GLY A 72 5.655 -20.411 4.601 1.00 0.00 O ATOM 0 H GLY A 72 8.919 -20.018 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.253 -21.256 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.234 -19.846 6.501 1.00 0.00 H new TER 1168 GLY A 72