USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 47:sc= 1.21 USER MOD Set 1.2: A 23 GLN :FLIP amide:sc= 0.822 F(o=-2.2,f=2) USER MOD Single : A 1 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= -0.0721 (180deg=-0.119) USER MOD Single : A 14 LYS NZ :NH3+ -106:sc= -0.245 (180deg=-2.02!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 45:sc= -0.152 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 130:sc= -1.08 USER MOD Single : A 36 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.13) USER MOD Single : A 37 GLN : amide:sc= -0.687 K(o=-0.69,f=-2.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.996 F(o=-3.2,f=-1) USER MOD Single : A 49 MET CE :methyl -123:sc= -4.85! (180deg=-6.13!) USER MOD Single : A 50 TYR OH : rot 98:sc= 0.743 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= 0.701 F(o=-1.3,f=0.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 100:sc= -4.83 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.282 K(o=-0.28,f=-6.4!) USER MOD Single : A 76 SER OG : rot 34:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.354 -8.949 -5.590 1.00 0.00 N ATOM 2 CA ASN A 1 -13.620 -8.711 -4.147 1.00 0.00 C ATOM 3 C ASN A 1 -13.100 -9.864 -3.293 1.00 0.00 C ATOM 4 O ASN A 1 -13.675 -10.952 -3.286 1.00 0.00 O ATOM 5 CB ASN A 1 -15.128 -8.547 -3.949 1.00 0.00 C ATOM 6 CG ASN A 1 -15.576 -7.106 -4.095 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.287 -6.452 -5.096 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.289 -6.604 -3.093 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.718 -8.149 -6.147 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.329 -9.040 -5.744 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.828 -9.824 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.099 -7.807 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.656 -9.164 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -15.404 -8.912 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -16.620 -5.640 -3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -16.506 -7.182 -2.281 1.00 0.00 H new ATOM 16 N LYS A 2 -12.010 -9.616 -2.575 1.00 0.00 N ATOM 17 CA LYS A 2 -11.412 -10.633 -1.717 1.00 0.00 C ATOM 18 C LYS A 2 -12.289 -10.901 -0.499 1.00 0.00 C ATOM 19 O LYS A 2 -12.969 -11.925 -0.423 1.00 0.00 O ATOM 20 CB LYS A 2 -10.016 -10.197 -1.270 1.00 0.00 C ATOM 21 CG LYS A 2 -8.909 -10.644 -2.211 1.00 0.00 C ATOM 22 CD LYS A 2 -9.139 -10.131 -3.623 1.00 0.00 C ATOM 23 CE LYS A 2 -8.133 -10.720 -4.600 1.00 0.00 C ATOM 24 NZ LYS A 2 -8.515 -10.459 -6.015 1.00 0.00 N ATOM 0 H LYS A 2 -11.523 -8.720 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.329 -11.555 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.993 -9.110 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.820 -10.598 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.949 -10.282 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.857 -11.733 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.150 -10.384 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.064 -9.044 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.148 -10.296 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.055 -11.795 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.804 -10.876 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.444 -10.885 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.564 -9.433 -6.178 1.00 0.00 H new ATOM 38 N GLU A 3 -12.271 -9.974 0.454 1.00 0.00 N ATOM 39 CA GLU A 3 -13.065 -10.109 1.669 1.00 0.00 C ATOM 40 C GLU A 3 -12.916 -8.878 2.557 1.00 0.00 C ATOM 41 O GLU A 3 -13.900 -8.216 2.886 1.00 0.00 O ATOM 42 CB GLU A 3 -12.644 -11.362 2.441 1.00 0.00 C ATOM 43 CG GLU A 3 -13.729 -11.906 3.355 1.00 0.00 C ATOM 44 CD GLU A 3 -14.624 -12.915 2.663 1.00 0.00 C ATOM 45 OE1 GLU A 3 -14.112 -13.977 2.251 1.00 0.00 O ATOM 46 OE2 GLU A 3 -15.836 -12.643 2.532 1.00 0.00 O ATOM 0 H GLU A 3 -11.714 -9.121 0.407 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.112 -10.202 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.357 -12.137 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.760 -11.132 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.266 -12.373 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.337 -11.079 3.723 1.00 0.00 H new ATOM 53 N LEU A 4 -11.679 -8.577 2.940 1.00 0.00 N ATOM 54 CA LEU A 4 -11.397 -7.432 3.785 1.00 0.00 C ATOM 55 C LEU A 4 -12.117 -7.545 5.119 1.00 0.00 C ATOM 56 O LEU A 4 -13.325 -7.323 5.212 1.00 0.00 O ATOM 57 CB LEU A 4 -11.792 -6.138 3.081 1.00 0.00 C ATOM 58 CG LEU A 4 -11.274 -4.854 3.735 1.00 0.00 C ATOM 59 CD1 LEU A 4 -12.229 -4.382 4.819 1.00 0.00 C ATOM 60 CD2 LEU A 4 -9.875 -5.053 4.304 1.00 0.00 C ATOM 0 H LEU A 4 -10.855 -9.116 2.674 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.324 -7.414 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.428 -6.176 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.880 -6.088 3.031 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.218 -4.085 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.843 -3.469 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.207 -4.185 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.322 -5.154 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.533 -4.125 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.897 -5.842 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.193 -5.335 3.502 1.00 0.00 H new ATOM 72 N ASP A 5 -11.359 -7.889 6.146 1.00 0.00 N ATOM 73 CA ASP A 5 -11.905 -8.035 7.491 1.00 0.00 C ATOM 74 C ASP A 5 -11.809 -6.717 8.255 1.00 0.00 C ATOM 75 O ASP A 5 -11.131 -5.787 7.819 1.00 0.00 O ATOM 76 CB ASP A 5 -11.162 -9.139 8.247 1.00 0.00 C ATOM 77 CG ASP A 5 -11.950 -10.432 8.307 1.00 0.00 C ATOM 78 OD1 ASP A 5 -13.149 -10.381 8.653 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.370 -11.495 8.005 1.00 0.00 O ATOM 0 H ASP A 5 -10.358 -8.074 6.077 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.956 -8.311 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.203 -9.324 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.948 -8.800 9.261 1.00 0.00 H new ATOM 84 N PRO A 6 -12.486 -6.618 9.412 1.00 0.00 N ATOM 85 CA PRO A 6 -12.468 -5.402 10.234 1.00 0.00 C ATOM 86 C PRO A 6 -11.111 -5.167 10.891 1.00 0.00 C ATOM 87 O PRO A 6 -11.005 -5.110 12.116 1.00 0.00 O ATOM 88 CB PRO A 6 -13.539 -5.673 11.293 1.00 0.00 C ATOM 89 CG PRO A 6 -13.609 -7.157 11.390 1.00 0.00 C ATOM 90 CD PRO A 6 -13.320 -7.678 10.009 1.00 0.00 C ATOM 0 HA PRO A 6 -12.654 -4.506 9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.271 -5.226 12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.500 -5.250 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.883 -7.535 12.109 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.593 -7.480 11.731 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.795 -8.632 10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.236 -7.837 9.440 1.00 0.00 H new ATOM 98 N VAL A 7 -10.077 -5.030 10.066 1.00 0.00 N ATOM 99 CA VAL A 7 -8.724 -4.799 10.558 1.00 0.00 C ATOM 100 C VAL A 7 -7.731 -4.739 9.404 1.00 0.00 C ATOM 101 O VAL A 7 -6.849 -3.881 9.373 1.00 0.00 O ATOM 102 CB VAL A 7 -8.285 -5.898 11.547 1.00 0.00 C ATOM 103 CG1 VAL A 7 -8.300 -7.263 10.874 1.00 0.00 C ATOM 104 CG2 VAL A 7 -6.906 -5.591 12.115 1.00 0.00 C ATOM 0 H VAL A 7 -10.152 -5.075 9.050 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.734 -3.842 11.080 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.996 -5.918 12.373 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.987 -8.024 11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.308 -7.485 10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.615 -7.258 10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.615 -6.379 12.810 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.181 -5.539 11.303 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.933 -4.636 12.639 1.00 0.00 H new ATOM 114 N GLN A 8 -7.881 -5.656 8.454 1.00 0.00 N ATOM 115 CA GLN A 8 -6.998 -5.707 7.293 1.00 0.00 C ATOM 116 C GLN A 8 -7.110 -4.430 6.461 1.00 0.00 C ATOM 117 O GLN A 8 -6.238 -4.133 5.648 1.00 0.00 O ATOM 118 CB GLN A 8 -7.328 -6.927 6.430 1.00 0.00 C ATOM 119 CG GLN A 8 -6.120 -7.793 6.113 1.00 0.00 C ATOM 120 CD GLN A 8 -6.113 -9.093 6.891 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.378 -9.243 7.868 1.00 0.00 O ATOM 122 NE2 GLN A 8 -6.932 -10.046 6.459 1.00 0.00 N ATOM 0 H GLN A 8 -8.605 -6.374 8.465 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.972 -5.791 7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.075 -7.533 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.778 -6.590 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.106 -8.013 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.210 -7.236 6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.524 -9.879 5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.969 -10.944 6.941 1.00 0.00 H new ATOM 131 N LYS A 9 -8.186 -3.679 6.669 1.00 0.00 N ATOM 132 CA LYS A 9 -8.398 -2.439 5.936 1.00 0.00 C ATOM 133 C LYS A 9 -7.555 -1.305 6.516 1.00 0.00 C ATOM 134 O LYS A 9 -7.308 -0.301 5.849 1.00 0.00 O ATOM 135 CB LYS A 9 -9.878 -2.052 5.962 1.00 0.00 C ATOM 136 CG LYS A 9 -10.486 -2.071 7.354 1.00 0.00 C ATOM 137 CD LYS A 9 -11.656 -1.106 7.462 1.00 0.00 C ATOM 138 CE LYS A 9 -12.924 -1.698 6.867 1.00 0.00 C ATOM 139 NZ LYS A 9 -13.159 -1.221 5.476 1.00 0.00 N ATOM 0 H LYS A 9 -8.922 -3.907 7.337 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.089 -2.604 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.992 -1.054 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.435 -2.736 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.822 -3.080 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.725 -1.806 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.827 -0.855 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.411 -0.177 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.854 -2.786 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.777 -1.432 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.953 -1.747 5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.386 -0.206 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.303 -1.376 4.907 1.00 0.00 H new ATOM 153 N LEU A 10 -7.121 -1.468 7.764 1.00 0.00 N ATOM 154 CA LEU A 10 -6.314 -0.452 8.427 1.00 0.00 C ATOM 155 C LEU A 10 -4.873 -0.469 7.920 1.00 0.00 C ATOM 156 O LEU A 10 -4.250 0.582 7.761 1.00 0.00 O ATOM 157 CB LEU A 10 -6.344 -0.655 9.948 1.00 0.00 C ATOM 158 CG LEU A 10 -5.333 -1.667 10.498 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.986 -1.003 10.731 1.00 0.00 C ATOM 160 CD2 LEU A 10 -5.853 -2.289 11.786 1.00 0.00 C ATOM 0 H LEU A 10 -7.315 -2.292 8.333 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.742 0.522 8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.167 0.307 10.429 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.346 -0.976 10.235 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.201 -2.459 9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.281 -1.737 11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.609 -0.604 9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.100 -0.191 11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.124 -3.006 12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.013 -1.507 12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.795 -2.800 11.589 1.00 0.00 H new ATOM 172 N PHE A 11 -4.344 -1.664 7.675 1.00 0.00 N ATOM 173 CA PHE A 11 -2.973 -1.801 7.195 1.00 0.00 C ATOM 174 C PHE A 11 -2.834 -1.263 5.774 1.00 0.00 C ATOM 175 O PHE A 11 -1.765 -0.797 5.380 1.00 0.00 O ATOM 176 CB PHE A 11 -2.515 -3.268 7.276 1.00 0.00 C ATOM 177 CG PHE A 11 -2.680 -4.054 6.001 1.00 0.00 C ATOM 178 CD1 PHE A 11 -1.811 -3.870 4.936 1.00 0.00 C ATOM 179 CD2 PHE A 11 -3.702 -4.980 5.873 1.00 0.00 C ATOM 180 CE1 PHE A 11 -1.959 -4.594 3.769 1.00 0.00 C ATOM 181 CE2 PHE A 11 -3.856 -5.707 4.707 1.00 0.00 C ATOM 182 CZ PHE A 11 -2.983 -5.514 3.654 1.00 0.00 C ATOM 0 H PHE A 11 -4.840 -2.546 7.800 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.326 -1.206 7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.465 -3.290 7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.075 -3.765 8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.009 -3.152 5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.387 -5.136 6.694 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.275 -4.441 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.658 -6.425 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.101 -6.081 2.743 1.00 0.00 H new ATOM 192 N VAL A 12 -3.917 -1.331 5.009 1.00 0.00 N ATOM 193 CA VAL A 12 -3.904 -0.850 3.636 1.00 0.00 C ATOM 194 C VAL A 12 -3.992 0.671 3.576 1.00 0.00 C ATOM 195 O VAL A 12 -3.727 1.270 2.535 1.00 0.00 O ATOM 196 CB VAL A 12 -5.058 -1.455 2.814 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.909 -1.103 1.342 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.117 -2.963 3.007 1.00 0.00 C ATOM 0 H VAL A 12 -4.811 -1.713 5.316 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.955 -1.169 3.205 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.996 -1.029 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.734 -1.539 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.922 -0.019 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.964 -1.497 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.938 -3.373 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.178 -3.409 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.277 -3.189 4.061 1.00 0.00 H new ATOM 208 N ASP A 13 -4.356 1.295 4.693 1.00 0.00 N ATOM 209 CA ASP A 13 -4.463 2.749 4.751 1.00 0.00 C ATOM 210 C ASP A 13 -3.310 3.354 5.543 1.00 0.00 C ATOM 211 O ASP A 13 -3.271 4.561 5.776 1.00 0.00 O ATOM 212 CB ASP A 13 -5.801 3.166 5.363 1.00 0.00 C ATOM 213 CG ASP A 13 -6.379 4.401 4.701 1.00 0.00 C ATOM 214 OD1 ASP A 13 -6.465 4.422 3.455 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.746 5.348 5.428 1.00 0.00 O ATOM 0 H ASP A 13 -4.581 0.819 5.566 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.411 3.128 3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.510 2.343 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.667 3.357 6.428 1.00 0.00 H new ATOM 220 N LYS A 14 -2.350 2.516 5.917 1.00 0.00 N ATOM 221 CA LYS A 14 -1.176 2.973 6.637 1.00 0.00 C ATOM 222 C LYS A 14 0.037 2.722 5.772 1.00 0.00 C ATOM 223 O LYS A 14 1.039 3.432 5.858 1.00 0.00 O ATOM 224 CB LYS A 14 -1.042 2.274 7.994 1.00 0.00 C ATOM 225 CG LYS A 14 -0.679 0.800 7.898 1.00 0.00 C ATOM 226 CD LYS A 14 0.702 0.525 8.472 1.00 0.00 C ATOM 227 CE LYS A 14 1.779 1.299 7.731 1.00 0.00 C ATOM 228 NZ LYS A 14 3.125 1.097 8.337 1.00 0.00 N ATOM 0 H LYS A 14 -2.366 1.513 5.731 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.268 4.039 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.281 2.787 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.983 2.371 8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.421 0.207 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.710 0.484 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.719 0.797 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.915 -0.542 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.800 0.984 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.533 2.361 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.404 1.953 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.093 0.289 8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.819 0.907 7.586 1.00 0.00 H new ATOM 242 N ILE A 15 -0.082 1.729 4.898 1.00 0.00 N ATOM 243 CA ILE A 15 0.978 1.417 3.979 1.00 0.00 C ATOM 244 C ILE A 15 0.990 2.454 2.857 1.00 0.00 C ATOM 245 O ILE A 15 1.959 2.591 2.114 1.00 0.00 O ATOM 246 CB ILE A 15 0.827 0.001 3.402 1.00 0.00 C ATOM 247 CG1 ILE A 15 -0.473 -0.117 2.618 1.00 0.00 C ATOM 248 CG2 ILE A 15 0.874 -1.032 4.516 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.552 -1.391 1.818 1.00 0.00 C ATOM 0 H ILE A 15 -0.906 1.133 4.815 1.00 0.00 H new ATOM 0 HA ILE A 15 1.925 1.446 4.517 1.00 0.00 H new ATOM 0 HB ILE A 15 1.657 -0.188 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.315 -0.073 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.567 0.736 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.766 -2.030 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.828 -0.961 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.062 -0.847 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.499 -1.424 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.273 -1.425 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.487 -2.247 2.490 1.00 0.00 H new ATOM 261 N ARG A 16 -0.084 3.228 2.755 1.00 0.00 N ATOM 262 CA ARG A 16 -0.132 4.274 1.755 1.00 0.00 C ATOM 263 C ARG A 16 0.468 5.545 2.339 1.00 0.00 C ATOM 264 O ARG A 16 0.460 6.598 1.701 1.00 0.00 O ATOM 265 CB ARG A 16 -1.566 4.529 1.282 1.00 0.00 C ATOM 266 CG ARG A 16 -2.416 3.272 1.190 1.00 0.00 C ATOM 267 CD ARG A 16 -3.233 3.242 -0.092 1.00 0.00 C ATOM 268 NE ARG A 16 -4.422 2.403 0.036 1.00 0.00 N ATOM 269 CZ ARG A 16 -5.490 2.504 -0.751 1.00 0.00 C ATOM 270 NH1 ARG A 16 -5.525 3.405 -1.725 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.529 1.701 -0.564 1.00 0.00 N ATOM 0 H ARG A 16 -0.915 3.150 3.342 1.00 0.00 H new ATOM 0 HA ARG A 16 0.446 3.957 0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.045 5.230 1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.536 5.008 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.773 2.393 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.084 3.220 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.532 4.257 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.613 2.870 -0.908 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.434 1.698 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.730 4.026 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.347 3.476 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.509 1.007 0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.348 1.778 -1.167 1.00 0.00 H new ATOM 285 N GLU A 17 0.984 5.436 3.569 1.00 0.00 N ATOM 286 CA GLU A 17 1.586 6.570 4.248 1.00 0.00 C ATOM 287 C GLU A 17 3.095 6.387 4.407 1.00 0.00 C ATOM 288 O GLU A 17 3.839 7.362 4.513 1.00 0.00 O ATOM 289 CB GLU A 17 0.940 6.762 5.617 1.00 0.00 C ATOM 290 CG GLU A 17 -0.556 6.495 5.627 1.00 0.00 C ATOM 291 CD GLU A 17 -1.200 6.822 6.960 1.00 0.00 C ATOM 292 OE1 GLU A 17 -0.772 6.246 7.982 1.00 0.00 O ATOM 293 OE2 GLU A 17 -2.131 7.654 6.982 1.00 0.00 O ATOM 0 H GLU A 17 0.993 4.570 4.108 1.00 0.00 H new ATOM 0 HA GLU A 17 1.415 7.456 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.424 6.099 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.121 7.782 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.032 7.086 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.735 5.447 5.389 1.00 0.00 H new ATOM 300 N TYR A 18 3.541 5.141 4.405 1.00 0.00 N ATOM 301 CA TYR A 18 4.962 4.838 4.528 1.00 0.00 C ATOM 302 C TYR A 18 5.579 4.631 3.142 1.00 0.00 C ATOM 303 O TYR A 18 6.775 4.850 2.950 1.00 0.00 O ATOM 304 CB TYR A 18 5.173 3.585 5.392 1.00 0.00 C ATOM 305 CG TYR A 18 5.021 2.316 4.600 1.00 0.00 C ATOM 306 CD1 TYR A 18 3.923 2.157 3.794 1.00 0.00 C ATOM 307 CD2 TYR A 18 5.969 1.303 4.627 1.00 0.00 C ATOM 308 CE1 TYR A 18 3.743 1.046 3.034 1.00 0.00 C ATOM 309 CE2 TYR A 18 5.805 0.165 3.857 1.00 0.00 C ATOM 310 CZ TYR A 18 4.685 0.040 3.057 1.00 0.00 C ATOM 311 OH TYR A 18 4.510 -1.086 2.287 1.00 0.00 O ATOM 0 H TYR A 18 2.941 4.321 4.320 1.00 0.00 H new ATOM 0 HA TYR A 18 5.455 5.681 5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.167 3.616 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.456 3.587 6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.179 2.939 3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.842 1.404 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.864 0.951 2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.547 -0.620 3.881 1.00 0.00 H new ATOM 0 HH TYR A 18 5.267 -1.694 2.420 1.00 0.00 H new ATOM 321 N ARG A 19 4.753 4.223 2.173 1.00 0.00 N ATOM 322 CA ARG A 19 5.228 4.009 0.812 1.00 0.00 C ATOM 323 C ARG A 19 5.200 5.327 0.063 1.00 0.00 C ATOM 324 O ARG A 19 6.011 5.576 -0.828 1.00 0.00 O ATOM 325 CB ARG A 19 4.362 2.972 0.094 1.00 0.00 C ATOM 326 CG ARG A 19 5.086 2.247 -1.028 1.00 0.00 C ATOM 327 CD ARG A 19 4.187 2.052 -2.238 1.00 0.00 C ATOM 328 NE ARG A 19 4.942 2.067 -3.489 1.00 0.00 N ATOM 329 CZ ARG A 19 5.377 3.178 -4.080 1.00 0.00 C ATOM 330 NH1 ARG A 19 5.135 4.365 -3.538 1.00 0.00 N ATOM 331 NH2 ARG A 19 6.057 3.103 -5.216 1.00 0.00 N ATOM 0 H ARG A 19 3.759 4.037 2.309 1.00 0.00 H new ATOM 0 HA ARG A 19 6.249 3.629 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.009 2.240 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.480 3.467 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.970 2.815 -1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.433 1.277 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.656 1.104 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.433 2.839 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 19 5.148 1.174 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.613 4.430 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.471 5.213 -3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.247 2.194 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.390 3.954 -5.668 1.00 0.00 H new ATOM 345 N THR A 20 4.265 6.175 0.462 1.00 0.00 N ATOM 346 CA THR A 20 4.112 7.493 -0.125 1.00 0.00 C ATOM 347 C THR A 20 5.371 8.318 0.113 1.00 0.00 C ATOM 348 O THR A 20 5.774 9.115 -0.734 1.00 0.00 O ATOM 349 CB THR A 20 2.913 8.180 0.516 1.00 0.00 C ATOM 350 OG1 THR A 20 2.971 9.586 0.347 1.00 0.00 O ATOM 351 CG2 THR A 20 2.825 7.891 1.987 1.00 0.00 C ATOM 0 H THR A 20 3.593 5.968 1.201 1.00 0.00 H new ATOM 0 HA THR A 20 3.954 7.401 -1.200 1.00 0.00 H new ATOM 0 HB THR A 20 2.032 7.781 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.182 9.795 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.957 8.399 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.726 6.817 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.728 8.247 2.482 1.00 0.00 H new ATOM 359 N LYS A 21 5.988 8.118 1.278 1.00 0.00 N ATOM 360 CA LYS A 21 7.204 8.841 1.634 1.00 0.00 C ATOM 361 C LYS A 21 8.278 8.663 0.566 1.00 0.00 C ATOM 362 O LYS A 21 9.070 9.570 0.310 1.00 0.00 O ATOM 363 CB LYS A 21 7.731 8.362 2.987 1.00 0.00 C ATOM 364 CG LYS A 21 6.859 8.779 4.161 1.00 0.00 C ATOM 365 CD LYS A 21 6.919 10.279 4.394 1.00 0.00 C ATOM 366 CE LYS A 21 5.563 10.835 4.797 1.00 0.00 C ATOM 367 NZ LYS A 21 4.843 11.435 3.640 1.00 0.00 N ATOM 0 H LYS A 21 5.664 7.462 1.989 1.00 0.00 H new ATOM 0 HA LYS A 21 6.957 9.901 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.811 7.275 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.737 8.754 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.828 8.480 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.184 8.257 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.649 10.498 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.262 10.776 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.957 10.038 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.696 11.589 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.923 11.803 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.409 12.213 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.693 10.709 2.910 1.00 0.00 H new ATOM 381 N ARG A 22 8.299 7.489 -0.057 1.00 0.00 N ATOM 382 CA ARG A 22 9.276 7.196 -1.098 1.00 0.00 C ATOM 383 C ARG A 22 9.139 8.171 -2.265 1.00 0.00 C ATOM 384 O ARG A 22 10.091 8.390 -3.015 1.00 0.00 O ATOM 385 CB ARG A 22 9.113 5.758 -1.597 1.00 0.00 C ATOM 386 CG ARG A 22 9.864 4.736 -0.761 1.00 0.00 C ATOM 387 CD ARG A 22 9.053 4.300 0.448 1.00 0.00 C ATOM 388 NE ARG A 22 9.241 5.198 1.585 1.00 0.00 N ATOM 389 CZ ARG A 22 10.391 5.332 2.243 1.00 0.00 C ATOM 390 NH1 ARG A 22 11.456 4.628 1.881 1.00 0.00 N ATOM 391 NH2 ARG A 22 10.475 6.170 3.266 1.00 0.00 N ATOM 0 H ARG A 22 7.651 6.726 0.141 1.00 0.00 H new ATOM 0 HA ARG A 22 10.270 7.310 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.053 5.502 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.461 5.698 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.101 3.866 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.812 5.161 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.996 4.267 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.342 3.288 0.733 1.00 0.00 H new ATOM 0 HE ARG A 22 8.444 5.755 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.396 3.980 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.334 4.735 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.659 6.712 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.356 6.273 3.770 1.00 0.00 H new ATOM 405 N GLN A 23 7.951 8.756 -2.415 1.00 0.00 N ATOM 406 CA GLN A 23 7.697 9.708 -3.494 1.00 0.00 C ATOM 407 C GLN A 23 8.812 10.750 -3.588 1.00 0.00 C ATOM 408 O GLN A 23 9.105 11.264 -4.668 1.00 0.00 O ATOM 409 CB GLN A 23 6.347 10.402 -3.283 1.00 0.00 C ATOM 410 CG GLN A 23 6.355 11.440 -2.171 1.00 0.00 C ATOM 411 CD GLN A 23 4.964 11.929 -1.820 1.00 0.00 C ATOM 412 OE1 GLN A 23 4.065 10.996 -1.527 1.00 0.00 O flip ATOM 413 NE2 GLN A 23 4.699 13.130 -1.810 1.00 0.00 N flip ATOM 0 H GLN A 23 7.152 8.588 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 23 7.671 9.152 -4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.048 10.883 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.593 9.648 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.821 11.012 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.968 12.288 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.420 13.813 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.758 13.443 -1.570 1.00 0.00 H new ATOM 422 N THR A 24 9.427 11.055 -2.450 1.00 0.00 N ATOM 423 CA THR A 24 10.506 12.035 -2.404 1.00 0.00 C ATOM 424 C THR A 24 11.865 11.360 -2.559 1.00 0.00 C ATOM 425 O THR A 24 12.495 10.975 -1.573 1.00 0.00 O ATOM 426 CB THR A 24 10.459 12.815 -1.088 1.00 0.00 C ATOM 427 OG1 THR A 24 10.121 11.961 -0.011 1.00 0.00 O ATOM 428 CG2 THR A 24 9.461 13.953 -1.103 1.00 0.00 C ATOM 0 H THR A 24 9.197 10.638 -1.548 1.00 0.00 H new ATOM 0 HA THR A 24 10.368 12.727 -3.235 1.00 0.00 H new ATOM 0 HB THR A 24 11.459 13.231 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.643 11.134 -0.073 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.478 14.464 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.724 14.657 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.462 13.558 -1.287 1.00 0.00 H new ATOM 436 N SER A 25 12.311 11.218 -3.804 1.00 0.00 N ATOM 437 CA SER A 25 13.596 10.590 -4.091 1.00 0.00 C ATOM 438 C SER A 25 13.860 10.558 -5.592 1.00 0.00 C ATOM 439 O SER A 25 13.567 9.568 -6.263 1.00 0.00 O ATOM 440 CB SER A 25 13.632 9.168 -3.526 1.00 0.00 C ATOM 441 OG SER A 25 14.826 8.501 -3.897 1.00 0.00 O ATOM 0 H SER A 25 11.801 11.530 -4.630 1.00 0.00 H new ATOM 0 HA SER A 25 14.376 11.183 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.554 9.203 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.771 8.607 -3.889 1.00 0.00 H new ATOM 0 HG SER A 25 14.825 7.595 -3.522 1.00 0.00 H new ATOM 447 N GLY A 26 14.412 11.649 -6.115 1.00 0.00 N ATOM 448 CA GLY A 26 14.701 11.724 -7.536 1.00 0.00 C ATOM 449 C GLY A 26 13.463 11.523 -8.387 1.00 0.00 C ATOM 450 O GLY A 26 13.514 10.859 -9.423 1.00 0.00 O ATOM 0 H GLY A 26 14.664 12.481 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.142 12.694 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.443 10.968 -7.794 1.00 0.00 H new ATOM 454 N GLY A 27 12.347 12.095 -7.946 1.00 0.00 N ATOM 455 CA GLY A 27 11.103 11.963 -8.680 1.00 0.00 C ATOM 456 C GLY A 27 10.073 11.146 -7.922 1.00 0.00 C ATOM 457 O GLY A 27 10.430 10.359 -7.045 1.00 0.00 O ATOM 0 H GLY A 27 12.283 12.648 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.698 12.954 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.300 11.492 -9.643 1.00 0.00 H new ATOM 461 N PRO A 28 8.777 11.312 -8.234 1.00 0.00 N ATOM 462 CA PRO A 28 7.700 10.576 -7.563 1.00 0.00 C ATOM 463 C PRO A 28 7.773 9.076 -7.837 1.00 0.00 C ATOM 464 O PRO A 28 6.968 8.534 -8.592 1.00 0.00 O ATOM 465 CB PRO A 28 6.415 11.170 -8.160 1.00 0.00 C ATOM 466 CG PRO A 28 6.837 12.443 -8.815 1.00 0.00 C ATOM 467 CD PRO A 28 8.253 12.226 -9.260 1.00 0.00 C ATOM 0 HA PRO A 28 7.757 10.676 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.964 10.488 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.670 11.354 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.193 12.679 -9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.770 13.281 -8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.302 11.787 -10.256 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.814 13.160 -9.295 1.00 0.00 H new ATOM 475 N VAL A 29 8.747 8.412 -7.216 1.00 0.00 N ATOM 476 CA VAL A 29 8.936 6.972 -7.384 1.00 0.00 C ATOM 477 C VAL A 29 8.839 6.556 -8.851 1.00 0.00 C ATOM 478 O VAL A 29 8.420 5.442 -9.162 1.00 0.00 O ATOM 479 CB VAL A 29 7.909 6.168 -6.556 1.00 0.00 C ATOM 480 CG1 VAL A 29 7.935 6.610 -5.101 1.00 0.00 C ATOM 481 CG2 VAL A 29 6.506 6.310 -7.132 1.00 0.00 C ATOM 0 H VAL A 29 9.421 8.851 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 29 9.939 6.747 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 29 8.187 5.115 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.205 6.033 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.930 6.444 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.688 7.670 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.805 5.733 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.214 7.360 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.494 5.938 -8.157 1.00 0.00 H new ATOM 491 N ASP A 30 9.221 7.460 -9.748 1.00 0.00 N ATOM 492 CA ASP A 30 9.165 7.181 -11.178 1.00 0.00 C ATOM 493 C ASP A 30 7.738 6.856 -11.608 1.00 0.00 C ATOM 494 O ASP A 30 7.518 6.122 -12.571 1.00 0.00 O ATOM 495 CB ASP A 30 10.095 6.019 -11.531 1.00 0.00 C ATOM 496 CG ASP A 30 10.748 6.190 -12.888 1.00 0.00 C ATOM 497 OD1 ASP A 30 11.240 7.302 -13.174 1.00 0.00 O ATOM 498 OD2 ASP A 30 10.766 5.213 -13.665 1.00 0.00 O ATOM 0 H ASP A 30 9.571 8.388 -9.511 1.00 0.00 H new ATOM 0 HA ASP A 30 9.495 8.072 -11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.868 5.932 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.529 5.088 -11.519 1.00 0.00 H new ATOM 503 N ALA A 31 6.772 7.408 -10.880 1.00 0.00 N ATOM 504 CA ALA A 31 5.363 7.183 -11.172 1.00 0.00 C ATOM 505 C ALA A 31 4.709 8.445 -11.722 1.00 0.00 C ATOM 506 O ALA A 31 3.767 8.375 -12.511 1.00 0.00 O ATOM 507 CB ALA A 31 4.638 6.718 -9.918 1.00 0.00 C ATOM 0 H ALA A 31 6.942 8.017 -10.080 1.00 0.00 H new ATOM 0 HA ALA A 31 5.292 6.406 -11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.585 6.553 -10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.083 5.788 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.726 7.480 -9.143 1.00 0.00 H new ATOM 513 N GLY A 32 5.213 9.597 -11.293 1.00 0.00 N ATOM 514 CA GLY A 32 4.666 10.863 -11.744 1.00 0.00 C ATOM 515 C GLY A 32 4.095 11.677 -10.598 1.00 0.00 C ATOM 516 O GLY A 32 3.898 11.151 -9.504 1.00 0.00 O ATOM 0 H GLY A 32 5.992 9.676 -10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.446 11.438 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.885 10.678 -12.482 1.00 0.00 H new ATOM 520 N PRO A 33 3.825 12.974 -10.813 1.00 0.00 N ATOM 521 CA PRO A 33 3.277 13.845 -9.773 1.00 0.00 C ATOM 522 C PRO A 33 1.831 13.514 -9.447 1.00 0.00 C ATOM 523 O PRO A 33 0.964 13.517 -10.319 1.00 0.00 O ATOM 524 CB PRO A 33 3.392 15.257 -10.367 1.00 0.00 C ATOM 525 CG PRO A 33 4.219 15.112 -11.604 1.00 0.00 C ATOM 526 CD PRO A 33 4.033 13.698 -12.071 1.00 0.00 C ATOM 0 HA PRO A 33 3.813 13.732 -8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.408 15.665 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.862 15.941 -9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.901 15.819 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.269 15.318 -11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.179 13.601 -12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.906 13.331 -12.611 1.00 0.00 H new ATOM 534 N GLU A 34 1.592 13.219 -8.178 1.00 0.00 N ATOM 535 CA GLU A 34 0.263 12.867 -7.705 1.00 0.00 C ATOM 536 C GLU A 34 -0.103 11.466 -8.168 1.00 0.00 C ATOM 537 O GLU A 34 -1.267 11.152 -8.415 1.00 0.00 O ATOM 538 CB GLU A 34 -0.781 13.881 -8.179 1.00 0.00 C ATOM 539 CG GLU A 34 -0.342 15.327 -8.019 1.00 0.00 C ATOM 540 CD GLU A 34 -1.091 16.269 -8.941 1.00 0.00 C ATOM 541 OE1 GLU A 34 -2.330 16.362 -8.816 1.00 0.00 O ATOM 542 OE2 GLU A 34 -0.438 16.912 -9.790 1.00 0.00 O ATOM 0 H GLU A 34 2.309 13.217 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 34 0.273 12.887 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.007 13.693 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.705 13.727 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.496 15.637 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.727 15.403 -8.219 1.00 0.00 H new ATOM 549 N TYR A 35 0.919 10.629 -8.251 1.00 0.00 N ATOM 550 CA TYR A 35 0.771 9.237 -8.645 1.00 0.00 C ATOM 551 C TYR A 35 0.215 8.418 -7.480 1.00 0.00 C ATOM 552 O TYR A 35 0.363 7.200 -7.449 1.00 0.00 O ATOM 553 CB TYR A 35 2.139 8.674 -9.009 1.00 0.00 C ATOM 554 CG TYR A 35 2.963 8.446 -7.770 1.00 0.00 C ATOM 555 CD1 TYR A 35 3.490 9.517 -7.066 1.00 0.00 C ATOM 556 CD2 TYR A 35 3.149 7.171 -7.266 1.00 0.00 C ATOM 557 CE1 TYR A 35 4.185 9.329 -5.897 1.00 0.00 C ATOM 558 CE2 TYR A 35 3.852 6.968 -6.100 1.00 0.00 C ATOM 559 CZ TYR A 35 4.369 8.049 -5.414 1.00 0.00 C ATOM 560 OH TYR A 35 5.064 7.851 -4.244 1.00 0.00 O ATOM 0 H TYR A 35 1.881 10.898 -8.045 1.00 0.00 H new ATOM 0 HA TYR A 35 0.090 9.181 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.020 7.736 -9.551 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.657 9.364 -9.675 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.351 10.519 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.737 6.324 -7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.585 10.176 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.999 5.967 -5.723 1.00 0.00 H new ATOM 0 HH TYR A 35 4.545 7.271 -3.649 1.00 0.00 H new ATOM 570 N GLN A 36 -0.390 9.098 -6.508 1.00 0.00 N ATOM 571 CA GLN A 36 -0.942 8.442 -5.320 1.00 0.00 C ATOM 572 C GLN A 36 -1.663 7.144 -5.671 1.00 0.00 C ATOM 573 O GLN A 36 -1.795 6.249 -4.835 1.00 0.00 O ATOM 574 CB GLN A 36 -1.900 9.385 -4.593 1.00 0.00 C ATOM 575 CG GLN A 36 -1.265 10.707 -4.189 1.00 0.00 C ATOM 576 CD GLN A 36 0.002 10.521 -3.377 1.00 0.00 C ATOM 577 OE1 GLN A 36 -0.044 10.406 -2.152 1.00 0.00 O ATOM 578 NE2 GLN A 36 1.142 10.489 -4.057 1.00 0.00 N ATOM 0 H GLN A 36 -0.512 10.111 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.106 8.194 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.757 9.585 -5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.280 8.887 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.037 11.285 -5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.982 11.288 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.133 10.588 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.026 10.365 -3.564 1.00 0.00 H new ATOM 587 N GLN A 37 -2.123 7.048 -6.910 1.00 0.00 N ATOM 588 CA GLN A 37 -2.828 5.856 -7.372 1.00 0.00 C ATOM 589 C GLN A 37 -1.845 4.734 -7.692 1.00 0.00 C ATOM 590 O GLN A 37 -2.154 3.556 -7.516 1.00 0.00 O ATOM 591 CB GLN A 37 -3.675 6.181 -8.604 1.00 0.00 C ATOM 592 CG GLN A 37 -2.878 6.783 -9.750 1.00 0.00 C ATOM 593 CD GLN A 37 -2.949 8.297 -9.777 1.00 0.00 C ATOM 594 OE1 GLN A 37 -3.470 8.922 -8.853 1.00 0.00 O ATOM 595 NE2 GLN A 37 -2.425 8.896 -10.840 1.00 0.00 N ATOM 0 H GLN A 37 -2.022 7.779 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.486 5.519 -6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.162 5.269 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.465 6.875 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.836 6.473 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.252 6.388 -10.695 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.003 8.339 -11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.445 9.913 -10.914 1.00 0.00 H new ATOM 604 N ASP A 38 -0.658 5.109 -8.155 1.00 0.00 N ATOM 605 CA ASP A 38 0.373 4.138 -8.490 1.00 0.00 C ATOM 606 C ASP A 38 0.958 3.526 -7.223 1.00 0.00 C ATOM 607 O ASP A 38 1.188 2.320 -7.156 1.00 0.00 O ATOM 608 CB ASP A 38 1.479 4.798 -9.317 1.00 0.00 C ATOM 609 CG ASP A 38 1.384 4.450 -10.789 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.266 4.504 -11.342 1.00 0.00 O ATOM 611 OD2 ASP A 38 2.430 4.122 -11.390 1.00 0.00 O ATOM 0 H ASP A 38 -0.387 6.081 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.080 3.344 -9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.422 5.880 -9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.451 4.486 -8.934 1.00 0.00 H new ATOM 616 N LEU A 39 1.186 4.362 -6.214 1.00 0.00 N ATOM 617 CA LEU A 39 1.730 3.887 -4.948 1.00 0.00 C ATOM 618 C LEU A 39 0.799 2.848 -4.333 1.00 0.00 C ATOM 619 O LEU A 39 1.233 1.976 -3.579 1.00 0.00 O ATOM 620 CB LEU A 39 1.947 5.058 -3.981 1.00 0.00 C ATOM 621 CG LEU A 39 0.742 5.430 -3.110 1.00 0.00 C ATOM 622 CD1 LEU A 39 0.709 4.574 -1.854 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.785 6.907 -2.749 1.00 0.00 C ATOM 0 H LEU A 39 1.004 5.365 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 39 2.696 3.419 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.784 4.815 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.239 5.934 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.168 5.240 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.153 4.851 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.634 3.523 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.622 4.733 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.077 7.156 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.701 7.120 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.762 7.505 -3.660 1.00 0.00 H new ATOM 635 N ASP A 40 -0.485 2.944 -4.668 1.00 0.00 N ATOM 636 CA ASP A 40 -1.480 2.010 -4.158 1.00 0.00 C ATOM 637 C ASP A 40 -1.563 0.760 -5.036 1.00 0.00 C ATOM 638 O ASP A 40 -2.411 -0.106 -4.815 1.00 0.00 O ATOM 639 CB ASP A 40 -2.852 2.683 -4.079 1.00 0.00 C ATOM 640 CG ASP A 40 -2.791 4.047 -3.420 1.00 0.00 C ATOM 641 OD1 ASP A 40 -1.925 4.244 -2.543 1.00 0.00 O ATOM 642 OD2 ASP A 40 -3.612 4.917 -3.780 1.00 0.00 O ATOM 0 H ASP A 40 -0.859 3.660 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.173 1.707 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.261 2.786 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.536 2.043 -3.521 1.00 0.00 H new ATOM 647 N ARG A 41 -0.678 0.663 -6.027 1.00 0.00 N ATOM 648 CA ARG A 41 -0.658 -0.494 -6.915 1.00 0.00 C ATOM 649 C ARG A 41 0.519 -1.397 -6.568 1.00 0.00 C ATOM 650 O ARG A 41 0.440 -2.619 -6.696 1.00 0.00 O ATOM 651 CB ARG A 41 -0.592 -0.047 -8.384 1.00 0.00 C ATOM 652 CG ARG A 41 0.821 0.092 -8.936 1.00 0.00 C ATOM 653 CD ARG A 41 0.892 1.146 -10.029 1.00 0.00 C ATOM 654 NE ARG A 41 1.715 0.713 -11.156 1.00 0.00 N ATOM 655 CZ ARG A 41 1.642 1.240 -12.376 1.00 0.00 C ATOM 656 NH1 ARG A 41 0.786 2.221 -12.633 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.429 0.786 -13.342 1.00 0.00 N ATOM 0 H ARG A 41 0.030 1.368 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.580 -1.059 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.139 -0.766 -8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.104 0.910 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.503 0.357 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.154 -0.867 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.115 1.371 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.299 2.069 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 41 2.386 -0.039 -10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.179 2.575 -11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.735 2.621 -13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.090 0.033 -13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.373 1.190 -14.277 1.00 0.00 H new ATOM 671 N GLU A 42 1.607 -0.785 -6.111 1.00 0.00 N ATOM 672 CA GLU A 42 2.796 -1.528 -5.725 1.00 0.00 C ATOM 673 C GLU A 42 2.621 -2.114 -4.328 1.00 0.00 C ATOM 674 O GLU A 42 3.195 -3.151 -3.999 1.00 0.00 O ATOM 675 CB GLU A 42 4.028 -0.621 -5.763 1.00 0.00 C ATOM 676 CG GLU A 42 5.313 -1.322 -5.352 1.00 0.00 C ATOM 677 CD GLU A 42 5.524 -1.318 -3.850 1.00 0.00 C ATOM 678 OE1 GLU A 42 4.874 -0.506 -3.160 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.342 -2.127 -3.364 1.00 0.00 O ATOM 0 H GLU A 42 1.687 0.226 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 42 2.940 -2.343 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.147 -0.225 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.862 0.231 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.291 -2.351 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.159 -0.834 -5.836 1.00 0.00 H new ATOM 686 N LEU A 43 1.813 -1.440 -3.511 1.00 0.00 N ATOM 687 CA LEU A 43 1.552 -1.890 -2.151 1.00 0.00 C ATOM 688 C LEU A 43 0.620 -3.102 -2.149 1.00 0.00 C ATOM 689 O LEU A 43 0.598 -3.878 -1.194 1.00 0.00 O ATOM 690 CB LEU A 43 0.963 -0.740 -1.319 1.00 0.00 C ATOM 691 CG LEU A 43 -0.564 -0.724 -1.168 1.00 0.00 C ATOM 692 CD1 LEU A 43 -1.013 0.528 -0.431 1.00 0.00 C ATOM 693 CD2 LEU A 43 -1.243 -0.813 -2.526 1.00 0.00 C ATOM 0 H LEU A 43 1.329 -0.580 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 43 2.495 -2.197 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.405 -0.777 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.272 0.203 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.857 -1.596 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.099 0.523 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.559 0.549 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.704 1.410 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.325 -0.800 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.942 0.036 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.949 -1.739 -3.020 1.00 0.00 H new ATOM 705 N PHE A 44 -0.148 -3.260 -3.227 1.00 0.00 N ATOM 706 CA PHE A 44 -1.074 -4.378 -3.344 1.00 0.00 C ATOM 707 C PHE A 44 -0.310 -5.676 -3.589 1.00 0.00 C ATOM 708 O PHE A 44 -0.748 -6.753 -3.183 1.00 0.00 O ATOM 709 CB PHE A 44 -2.090 -4.106 -4.467 1.00 0.00 C ATOM 710 CG PHE A 44 -2.166 -5.177 -5.523 1.00 0.00 C ATOM 711 CD1 PHE A 44 -2.687 -6.427 -5.227 1.00 0.00 C ATOM 712 CD2 PHE A 44 -1.716 -4.930 -6.810 1.00 0.00 C ATOM 713 CE1 PHE A 44 -2.759 -7.410 -6.195 1.00 0.00 C ATOM 714 CE2 PHE A 44 -1.786 -5.909 -7.782 1.00 0.00 C ATOM 715 CZ PHE A 44 -2.307 -7.151 -7.474 1.00 0.00 C ATOM 0 H PHE A 44 -0.145 -2.628 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.624 -4.486 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.078 -3.983 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.836 -3.160 -4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.041 -6.635 -4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.306 -3.962 -7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.168 -8.380 -5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.434 -5.704 -8.782 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.361 -7.918 -8.232 1.00 0.00 H new ATOM 725 N LYS A 45 0.837 -5.564 -4.249 1.00 0.00 N ATOM 726 CA LYS A 45 1.667 -6.725 -4.541 1.00 0.00 C ATOM 727 C LYS A 45 2.134 -7.389 -3.251 1.00 0.00 C ATOM 728 O LYS A 45 2.356 -8.599 -3.208 1.00 0.00 O ATOM 729 CB LYS A 45 2.875 -6.318 -5.387 1.00 0.00 C ATOM 730 CG LYS A 45 2.508 -5.833 -6.780 1.00 0.00 C ATOM 731 CD LYS A 45 3.633 -6.083 -7.770 1.00 0.00 C ATOM 732 CE LYS A 45 4.853 -5.235 -7.454 1.00 0.00 C ATOM 733 NZ LYS A 45 6.109 -5.856 -7.961 1.00 0.00 N ATOM 0 H LYS A 45 1.213 -4.680 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 45 1.067 -7.440 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.421 -5.530 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.550 -7.169 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.605 -6.342 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.280 -4.768 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.907 -7.138 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.286 -5.861 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.732 -4.246 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.927 -5.094 -6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.918 -5.246 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.238 -6.789 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.049 -5.967 -8.993 1.00 0.00 H new ATOM 747 N LEU A 46 2.276 -6.588 -2.197 1.00 0.00 N ATOM 748 CA LEU A 46 2.712 -7.098 -0.904 1.00 0.00 C ATOM 749 C LEU A 46 1.742 -8.153 -0.385 1.00 0.00 C ATOM 750 O LEU A 46 2.154 -9.220 0.071 1.00 0.00 O ATOM 751 CB LEU A 46 2.824 -5.953 0.104 1.00 0.00 C ATOM 752 CG LEU A 46 4.184 -5.253 0.143 1.00 0.00 C ATOM 753 CD1 LEU A 46 4.126 -4.025 1.038 1.00 0.00 C ATOM 754 CD2 LEU A 46 5.263 -6.213 0.621 1.00 0.00 C ATOM 0 H LEU A 46 2.095 -5.584 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 46 3.691 -7.560 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.058 -5.212 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.604 -6.342 1.098 1.00 0.00 H new ATOM 0 HG LEU A 46 4.435 -4.929 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.102 -3.540 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.381 -3.329 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.853 -4.325 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.224 -5.699 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.018 -6.566 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.321 -7.063 -0.059 1.00 0.00 H new ATOM 766 N LYS A 47 0.449 -7.846 -0.457 1.00 0.00 N ATOM 767 CA LYS A 47 -0.585 -8.765 0.006 1.00 0.00 C ATOM 768 C LYS A 47 -0.396 -10.151 -0.604 1.00 0.00 C ATOM 769 O LYS A 47 -0.615 -11.166 0.057 1.00 0.00 O ATOM 770 CB LYS A 47 -1.972 -8.225 -0.346 1.00 0.00 C ATOM 771 CG LYS A 47 -2.437 -7.101 0.566 1.00 0.00 C ATOM 772 CD LYS A 47 -3.258 -6.071 -0.191 1.00 0.00 C ATOM 773 CE LYS A 47 -4.749 -6.301 -0.006 1.00 0.00 C ATOM 774 NZ LYS A 47 -5.522 -5.949 -1.228 1.00 0.00 N ATOM 0 H LYS A 47 0.093 -6.967 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.500 -8.851 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.963 -7.866 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.693 -9.041 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.032 -7.515 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.571 -6.617 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.997 -5.071 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.011 -6.116 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.926 -7.346 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.107 -5.705 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.534 -6.120 -1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.374 -4.945 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.199 -6.535 -2.024 1.00 0.00 H new ATOM 788 N GLN A 48 0.018 -10.184 -1.865 1.00 0.00 N ATOM 789 CA GLN A 48 0.243 -11.446 -2.561 1.00 0.00 C ATOM 790 C GLN A 48 1.413 -12.198 -1.937 1.00 0.00 C ATOM 791 O GLN A 48 1.427 -13.428 -1.903 1.00 0.00 O ATOM 792 CB GLN A 48 0.510 -11.197 -4.046 1.00 0.00 C ATOM 793 CG GLN A 48 -0.742 -11.251 -4.907 1.00 0.00 C ATOM 794 CD GLN A 48 -1.822 -10.302 -4.424 1.00 0.00 C ATOM 795 OE1 GLN A 48 -1.439 -9.061 -4.150 1.00 0.00 O flip ATOM 796 NE2 GLN A 48 -2.987 -10.680 -4.299 1.00 0.00 N flip ATOM 0 H GLN A 48 0.205 -9.353 -2.426 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.655 -12.056 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.980 -10.220 -4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.222 -11.939 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.482 -11.006 -5.937 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.133 -12.269 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.237 -11.644 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.702 -10.030 -3.973 1.00 0.00 H new ATOM 805 N MET A 49 2.389 -11.447 -1.438 1.00 0.00 N ATOM 806 CA MET A 49 3.562 -12.040 -0.806 1.00 0.00 C ATOM 807 C MET A 49 3.251 -12.412 0.639 1.00 0.00 C ATOM 808 O MET A 49 3.766 -13.399 1.164 1.00 0.00 O ATOM 809 CB MET A 49 4.753 -11.075 -0.849 1.00 0.00 C ATOM 810 CG MET A 49 4.715 -10.096 -2.014 1.00 0.00 C ATOM 811 SD MET A 49 6.270 -9.209 -2.228 1.00 0.00 S ATOM 812 CE MET A 49 5.671 -7.571 -2.638 1.00 0.00 C ATOM 0 H MET A 49 2.391 -10.427 -1.459 1.00 0.00 H new ATOM 0 HA MET A 49 3.826 -12.941 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.785 -10.512 0.084 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.675 -11.654 -0.904 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.481 -10.637 -2.931 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.911 -9.378 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.080 -7.264 -3.601 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.583 -7.585 -2.694 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.985 -6.866 -1.869 1.00 0.00 H new ATOM 822 N TYR A 50 2.399 -11.614 1.271 1.00 0.00 N ATOM 823 CA TYR A 50 2.007 -11.854 2.654 1.00 0.00 C ATOM 824 C TYR A 50 0.958 -12.959 2.733 1.00 0.00 C ATOM 825 O TYR A 50 0.848 -13.652 3.744 1.00 0.00 O ATOM 826 CB TYR A 50 1.467 -10.568 3.281 1.00 0.00 C ATOM 827 CG TYR A 50 2.547 -9.568 3.629 1.00 0.00 C ATOM 828 CD1 TYR A 50 3.406 -9.792 4.697 1.00 0.00 C ATOM 829 CD2 TYR A 50 2.711 -8.405 2.887 1.00 0.00 C ATOM 830 CE1 TYR A 50 4.397 -8.886 5.017 1.00 0.00 C ATOM 831 CE2 TYR A 50 3.701 -7.493 3.202 1.00 0.00 C ATOM 832 CZ TYR A 50 4.541 -7.738 4.267 1.00 0.00 C ATOM 833 OH TYR A 50 5.529 -6.834 4.581 1.00 0.00 O ATOM 0 H TYR A 50 1.966 -10.794 0.847 1.00 0.00 H new ATOM 0 HA TYR A 50 2.888 -12.175 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.762 -10.104 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.910 -10.819 4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.297 -10.690 5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.055 -8.210 2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.057 -9.075 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.816 -6.593 2.616 1.00 0.00 H new ATOM 0 HH TYR A 50 6.306 -6.985 4.003 1.00 0.00 H new ATOM 843 N GLY A 51 0.192 -13.120 1.657 1.00 0.00 N ATOM 844 CA GLY A 51 -0.832 -14.145 1.624 1.00 0.00 C ATOM 845 C GLY A 51 -0.268 -15.515 1.301 1.00 0.00 C ATOM 846 O GLY A 51 -0.830 -16.535 1.698 1.00 0.00 O ATOM 0 H GLY A 51 0.264 -12.558 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.337 -14.181 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.584 -13.880 0.881 1.00 0.00 H new ATOM 850 N LYS A 52 0.850 -15.537 0.581 1.00 0.00 N ATOM 851 CA LYS A 52 1.492 -16.792 0.206 1.00 0.00 C ATOM 852 C LYS A 52 2.627 -17.128 1.167 1.00 0.00 C ATOM 853 O LYS A 52 2.913 -18.298 1.419 1.00 0.00 O ATOM 854 CB LYS A 52 2.028 -16.708 -1.225 1.00 0.00 C ATOM 855 CG LYS A 52 0.998 -17.075 -2.282 1.00 0.00 C ATOM 856 CD LYS A 52 0.842 -18.583 -2.405 1.00 0.00 C ATOM 857 CE LYS A 52 1.794 -19.159 -3.440 1.00 0.00 C ATOM 858 NZ LYS A 52 1.990 -20.623 -3.261 1.00 0.00 N ATOM 0 H LYS A 52 1.329 -14.701 0.246 1.00 0.00 H new ATOM 0 HA LYS A 52 0.746 -17.584 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.384 -15.695 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.888 -17.371 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.037 -16.628 -2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.298 -16.659 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.029 -19.049 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.185 -18.822 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.404 -18.965 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.757 -18.653 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.646 -20.977 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.386 -20.807 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.076 -21.110 -3.354 1.00 0.00 H new ATOM 872 N ALA A 53 3.270 -16.094 1.700 1.00 0.00 N ATOM 873 CA ALA A 53 4.374 -16.280 2.635 1.00 0.00 C ATOM 874 C ALA A 53 3.881 -16.252 4.078 1.00 0.00 C ATOM 875 O ALA A 53 4.324 -17.043 4.910 1.00 0.00 O ATOM 876 CB ALA A 53 5.434 -15.211 2.417 1.00 0.00 C ATOM 0 H ALA A 53 3.046 -15.119 1.501 1.00 0.00 H new ATOM 0 HA ALA A 53 4.816 -17.259 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.252 -15.361 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.815 -15.279 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.995 -14.226 2.575 1.00 0.00 H new ATOM 882 N ASP A 54 2.962 -15.336 4.365 1.00 0.00 N ATOM 883 CA ASP A 54 2.407 -15.205 5.708 1.00 0.00 C ATOM 884 C ASP A 54 3.497 -14.853 6.716 1.00 0.00 C ATOM 885 O ASP A 54 3.894 -15.683 7.534 1.00 0.00 O ATOM 886 CB ASP A 54 1.709 -16.501 6.124 1.00 0.00 C ATOM 887 CG ASP A 54 0.505 -16.813 5.257 1.00 0.00 C ATOM 888 OD1 ASP A 54 -0.404 -15.961 5.175 1.00 0.00 O ATOM 889 OD2 ASP A 54 0.473 -17.909 4.658 1.00 0.00 O ATOM 0 H ASP A 54 2.586 -14.674 3.687 1.00 0.00 H new ATOM 0 HA ASP A 54 1.676 -14.396 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.418 -17.327 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.394 -16.423 7.164 1.00 0.00 H new ATOM 894 N MET A 55 3.977 -13.615 6.653 1.00 0.00 N ATOM 895 CA MET A 55 5.021 -13.150 7.560 1.00 0.00 C ATOM 896 C MET A 55 6.273 -14.014 7.439 1.00 0.00 C ATOM 897 O MET A 55 6.936 -14.308 8.434 1.00 0.00 O ATOM 898 CB MET A 55 4.514 -13.167 9.004 1.00 0.00 C ATOM 899 CG MET A 55 3.209 -12.411 9.199 1.00 0.00 C ATOM 900 SD MET A 55 2.723 -12.299 10.931 1.00 0.00 S ATOM 901 CE MET A 55 1.017 -11.776 10.771 1.00 0.00 C ATOM 0 H MET A 55 3.659 -12.915 5.983 1.00 0.00 H new ATOM 0 HA MET A 55 5.279 -12.128 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.376 -14.201 9.320 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.275 -12.734 9.653 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.311 -11.406 8.789 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.419 -12.907 8.635 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.577 -11.663 11.762 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.977 -10.822 10.245 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.458 -12.524 10.209 1.00 0.00 H new ATOM 911 N ASN A 56 6.592 -14.416 6.214 1.00 0.00 N ATOM 912 CA ASN A 56 7.765 -15.245 5.961 1.00 0.00 C ATOM 913 C ASN A 56 8.699 -14.576 4.958 1.00 0.00 C ATOM 914 O ASN A 56 9.230 -15.228 4.058 1.00 0.00 O ATOM 915 CB ASN A 56 7.341 -16.622 5.445 1.00 0.00 C ATOM 916 CG ASN A 56 6.939 -17.561 6.565 1.00 0.00 C ATOM 917 OD1 ASN A 56 7.822 -17.728 7.543 1.00 0.00 O flip ATOM 918 ND2 ASN A 56 5.849 -18.131 6.553 1.00 0.00 N flip ATOM 0 H ASN A 56 6.054 -14.181 5.380 1.00 0.00 H new ATOM 0 HA ASN A 56 8.302 -15.368 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.506 -16.507 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.162 -17.064 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.200 -17.974 5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.594 -18.760 7.314 1.00 0.00 H new ATOM 925 N THR A 57 8.894 -13.272 5.117 1.00 0.00 N ATOM 926 CA THR A 57 9.764 -12.514 4.225 1.00 0.00 C ATOM 927 C THR A 57 10.022 -11.114 4.772 1.00 0.00 C ATOM 928 O THR A 57 11.148 -10.618 4.729 1.00 0.00 O ATOM 929 CB THR A 57 9.145 -12.423 2.829 1.00 0.00 C ATOM 930 OG1 THR A 57 9.798 -11.433 2.054 1.00 0.00 O ATOM 931 CG2 THR A 57 7.668 -12.091 2.848 1.00 0.00 C ATOM 0 H THR A 57 8.461 -12.717 5.856 1.00 0.00 H new ATOM 0 HA THR A 57 10.717 -13.038 4.159 1.00 0.00 H new ATOM 0 HB THR A 57 9.272 -13.414 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.389 -11.391 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.293 -12.042 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.128 -12.864 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.518 -11.128 3.336 1.00 0.00 H new ATOM 939 N PHE A 58 8.972 -10.482 5.287 1.00 0.00 N ATOM 940 CA PHE A 58 9.086 -9.139 5.842 1.00 0.00 C ATOM 941 C PHE A 58 9.142 -9.184 7.367 1.00 0.00 C ATOM 942 O PHE A 58 8.865 -10.218 7.976 1.00 0.00 O ATOM 943 CB PHE A 58 7.909 -8.275 5.385 1.00 0.00 C ATOM 944 CG PHE A 58 7.912 -7.997 3.909 1.00 0.00 C ATOM 945 CD1 PHE A 58 8.706 -6.991 3.381 1.00 0.00 C ATOM 946 CD2 PHE A 58 7.119 -8.741 3.049 1.00 0.00 C ATOM 947 CE1 PHE A 58 8.711 -6.733 2.024 1.00 0.00 C ATOM 948 CE2 PHE A 58 7.120 -8.488 1.691 1.00 0.00 C ATOM 949 CZ PHE A 58 7.917 -7.483 1.178 1.00 0.00 C ATOM 0 H PHE A 58 8.033 -10.879 5.331 1.00 0.00 H new ATOM 0 HA PHE A 58 10.013 -8.697 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.977 -8.773 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.931 -7.329 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.328 -6.402 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.493 -9.527 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.334 -5.946 1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.498 -9.075 1.031 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.919 -7.284 0.117 1.00 0.00 H new ATOM 959 N PRO A 59 9.515 -8.061 8.007 1.00 0.00 N ATOM 960 CA PRO A 59 9.618 -7.975 9.469 1.00 0.00 C ATOM 961 C PRO A 59 8.261 -8.091 10.163 1.00 0.00 C ATOM 962 O PRO A 59 7.818 -7.165 10.844 1.00 0.00 O ATOM 963 CB PRO A 59 10.232 -6.589 9.717 1.00 0.00 C ATOM 964 CG PRO A 59 10.751 -6.139 8.391 1.00 0.00 C ATOM 965 CD PRO A 59 9.875 -6.792 7.363 1.00 0.00 C ATOM 0 HA PRO A 59 10.213 -8.793 9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.487 -5.893 10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.033 -6.641 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.712 -5.053 8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.793 -6.432 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.996 -6.188 7.137 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.403 -6.950 6.423 1.00 0.00 H new ATOM 973 N ASN A 60 7.612 -9.238 9.995 1.00 0.00 N ATOM 974 CA ASN A 60 6.313 -9.485 10.613 1.00 0.00 C ATOM 975 C ASN A 60 5.263 -8.480 10.144 1.00 0.00 C ATOM 976 O ASN A 60 4.288 -8.224 10.848 1.00 0.00 O ATOM 977 CB ASN A 60 6.436 -9.433 12.137 1.00 0.00 C ATOM 978 CG ASN A 60 6.760 -10.787 12.737 1.00 0.00 C ATOM 979 OD1 ASN A 60 5.902 -11.433 13.340 1.00 0.00 O ATOM 980 ND2 ASN A 60 8.003 -11.224 12.576 1.00 0.00 N ATOM 0 H ASN A 60 7.965 -10.014 9.435 1.00 0.00 H new ATOM 0 HA ASN A 60 5.987 -10.479 10.306 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.214 -8.721 12.412 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.502 -9.064 12.562 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.279 -12.128 12.959 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.682 -10.656 12.069 1.00 0.00 H new ATOM 987 N PHE A 61 5.460 -7.921 8.951 1.00 0.00 N ATOM 988 CA PHE A 61 4.518 -6.950 8.387 1.00 0.00 C ATOM 989 C PHE A 61 4.602 -5.597 9.109 1.00 0.00 C ATOM 990 O PHE A 61 3.834 -4.682 8.813 1.00 0.00 O ATOM 991 CB PHE A 61 3.084 -7.524 8.428 1.00 0.00 C ATOM 992 CG PHE A 61 2.036 -6.619 9.031 1.00 0.00 C ATOM 993 CD1 PHE A 61 2.134 -6.190 10.348 1.00 0.00 C ATOM 994 CD2 PHE A 61 0.949 -6.206 8.278 1.00 0.00 C ATOM 995 CE1 PHE A 61 1.168 -5.368 10.897 1.00 0.00 C ATOM 996 CE2 PHE A 61 -0.018 -5.383 8.821 1.00 0.00 C ATOM 997 CZ PHE A 61 0.092 -4.963 10.132 1.00 0.00 C ATOM 0 H PHE A 61 6.263 -8.122 8.355 1.00 0.00 H new ATOM 0 HA PHE A 61 4.790 -6.769 7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.782 -7.772 7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.101 -8.457 8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.974 -6.502 10.950 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.857 -6.532 7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.255 -5.043 11.923 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.859 -5.068 8.221 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.663 -4.319 10.558 1.00 0.00 H new ATOM 1007 N THR A 62 5.533 -5.477 10.051 1.00 0.00 N ATOM 1008 CA THR A 62 5.708 -4.239 10.810 1.00 0.00 C ATOM 1009 C THR A 62 5.687 -3.011 9.901 1.00 0.00 C ATOM 1010 O THR A 62 5.056 -2.006 10.222 1.00 0.00 O ATOM 1011 CB THR A 62 7.018 -4.295 11.602 1.00 0.00 C ATOM 1012 OG1 THR A 62 6.955 -3.453 12.736 1.00 0.00 O ATOM 1013 CG2 THR A 62 8.234 -3.890 10.797 1.00 0.00 C ATOM 0 H THR A 62 6.180 -6.222 10.309 1.00 0.00 H new ATOM 0 HA THR A 62 4.871 -4.147 11.502 1.00 0.00 H new ATOM 0 HB THR A 62 7.130 -5.341 11.889 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.760 -3.990 13.532 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.123 -3.954 11.424 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.343 -4.558 9.942 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.112 -2.866 10.444 1.00 0.00 H new ATOM 1021 N PHE A 63 6.390 -3.098 8.774 1.00 0.00 N ATOM 1022 CA PHE A 63 6.468 -1.992 7.823 1.00 0.00 C ATOM 1023 C PHE A 63 7.314 -0.862 8.395 1.00 0.00 C ATOM 1024 O PHE A 63 8.309 -0.450 7.799 1.00 0.00 O ATOM 1025 CB PHE A 63 5.070 -1.472 7.471 1.00 0.00 C ATOM 1026 CG PHE A 63 4.115 -2.547 7.035 1.00 0.00 C ATOM 1027 CD1 PHE A 63 4.532 -3.568 6.196 1.00 0.00 C ATOM 1028 CD2 PHE A 63 2.796 -2.533 7.462 1.00 0.00 C ATOM 1029 CE1 PHE A 63 3.653 -4.555 5.793 1.00 0.00 C ATOM 1030 CE2 PHE A 63 1.912 -3.517 7.061 1.00 0.00 C ATOM 1031 CZ PHE A 63 2.342 -4.528 6.225 1.00 0.00 C ATOM 0 H PHE A 63 6.916 -3.927 8.496 1.00 0.00 H new ATOM 0 HA PHE A 63 6.937 -2.363 6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.654 -0.960 8.338 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.157 -0.732 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.556 -3.593 5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.455 -1.744 8.116 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.991 -5.347 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.887 -3.495 7.401 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.653 -5.297 5.909 1.00 0.00 H new ATOM 1041 N GLU A 64 6.910 -0.371 9.559 1.00 0.00 N ATOM 1042 CA GLU A 64 7.623 0.707 10.229 1.00 0.00 C ATOM 1043 C GLU A 64 7.124 0.884 11.661 1.00 0.00 C ATOM 1044 O GLU A 64 7.184 1.983 12.215 1.00 0.00 O ATOM 1045 CB GLU A 64 7.461 2.015 9.449 1.00 0.00 C ATOM 1046 CG GLU A 64 8.781 2.680 9.097 1.00 0.00 C ATOM 1047 CD GLU A 64 8.685 4.193 9.078 1.00 0.00 C ATOM 1048 OE1 GLU A 64 7.964 4.753 9.932 1.00 0.00 O ATOM 1049 OE2 GLU A 64 9.331 4.819 8.211 1.00 0.00 O ATOM 0 H GLU A 64 6.087 -0.705 10.061 1.00 0.00 H new ATOM 0 HA GLU A 64 8.680 0.444 10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.908 1.815 8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.860 2.708 10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.540 2.377 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.111 2.328 8.120 1.00 0.00 H new ATOM 1056 N ASP A 65 6.630 -0.199 12.261 1.00 0.00 N ATOM 1057 CA ASP A 65 6.126 -0.145 13.628 1.00 0.00 C ATOM 1058 C ASP A 65 7.217 0.297 14.604 1.00 0.00 C ATOM 1059 O ASP A 65 7.055 1.291 15.312 1.00 0.00 O ATOM 1060 CB ASP A 65 5.565 -1.504 14.048 1.00 0.00 C ATOM 1061 CG ASP A 65 4.334 -1.376 14.922 1.00 0.00 C ATOM 1062 OD1 ASP A 65 3.277 -0.960 14.403 1.00 0.00 O ATOM 1063 OD2 ASP A 65 4.425 -1.693 16.127 1.00 0.00 O ATOM 0 H ASP A 65 6.569 -1.118 11.823 1.00 0.00 H new ATOM 0 HA ASP A 65 5.324 0.593 13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.317 -2.082 13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.333 -2.060 14.586 1.00 0.00 H new ATOM 1068 N PRO A 66 8.348 -0.434 14.660 1.00 0.00 N ATOM 1069 CA PRO A 66 9.456 -0.097 15.560 1.00 0.00 C ATOM 1070 C PRO A 66 9.967 1.322 15.340 1.00 0.00 C ATOM 1071 O PRO A 66 10.534 1.934 16.245 1.00 0.00 O ATOM 1072 CB PRO A 66 10.545 -1.121 15.208 1.00 0.00 C ATOM 1073 CG PRO A 66 10.139 -1.692 13.890 1.00 0.00 C ATOM 1074 CD PRO A 66 8.641 -1.633 13.860 1.00 0.00 C ATOM 0 HA PRO A 66 9.150 -0.133 16.606 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.525 -0.647 15.146 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.614 -1.899 15.969 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.569 -1.120 13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.492 -2.718 13.784 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.260 -1.544 12.843 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.192 -2.527 14.292 1.00 0.00 H new ATOM 1082 N LYS A 67 9.758 1.842 14.134 1.00 0.00 N ATOM 1083 CA LYS A 67 10.195 3.192 13.799 1.00 0.00 C ATOM 1084 C LYS A 67 9.566 4.216 14.740 1.00 0.00 C ATOM 1085 O LYS A 67 10.134 5.280 14.983 1.00 0.00 O ATOM 1086 CB LYS A 67 9.832 3.524 12.351 1.00 0.00 C ATOM 1087 CG LYS A 67 10.585 4.721 11.794 1.00 0.00 C ATOM 1088 CD LYS A 67 11.972 4.331 11.311 1.00 0.00 C ATOM 1089 CE LYS A 67 11.903 3.400 10.111 1.00 0.00 C ATOM 1090 NZ LYS A 67 13.198 3.340 9.379 1.00 0.00 N ATOM 0 H LYS A 67 9.289 1.349 13.374 1.00 0.00 H new ATOM 0 HA LYS A 67 11.278 3.235 13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.035 2.655 11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.761 3.718 12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.020 5.156 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.669 5.489 12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.531 5.228 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.516 3.844 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.627 2.399 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.119 3.738 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.109 2.695 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.449 4.290 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.942 2.993 10.017 1.00 0.00 H new ATOM 1104 N PHE A 68 8.391 3.884 15.269 1.00 0.00 N ATOM 1105 CA PHE A 68 7.688 4.775 16.186 1.00 0.00 C ATOM 1106 C PHE A 68 8.537 5.072 17.419 1.00 0.00 C ATOM 1107 O PHE A 68 8.363 6.103 18.069 1.00 0.00 O ATOM 1108 CB PHE A 68 6.355 4.155 16.609 1.00 0.00 C ATOM 1109 CG PHE A 68 5.413 3.912 15.463 1.00 0.00 C ATOM 1110 CD1 PHE A 68 5.229 4.875 14.484 1.00 0.00 C ATOM 1111 CD2 PHE A 68 4.713 2.720 15.366 1.00 0.00 C ATOM 1112 CE1 PHE A 68 4.363 4.653 13.429 1.00 0.00 C ATOM 1113 CE2 PHE A 68 3.846 2.493 14.315 1.00 0.00 C ATOM 1114 CZ PHE A 68 3.671 3.461 13.345 1.00 0.00 C ATOM 0 H PHE A 68 7.907 3.006 15.079 1.00 0.00 H new ATOM 0 HA PHE A 68 7.498 5.713 15.665 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.548 3.210 17.116 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.872 4.812 17.332 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.768 5.809 14.545 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.847 1.960 16.121 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.228 5.411 12.672 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.306 1.560 14.252 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.994 3.286 12.522 1.00 0.00 H new ATOM 1124 N GLU A 69 9.452 4.161 17.739 1.00 0.00 N ATOM 1125 CA GLU A 69 10.325 4.326 18.895 1.00 0.00 C ATOM 1126 C GLU A 69 9.516 4.349 20.188 1.00 0.00 C ATOM 1127 O GLU A 69 9.314 5.404 20.789 1.00 0.00 O ATOM 1128 CB GLU A 69 11.144 5.614 18.766 1.00 0.00 C ATOM 1129 CG GLU A 69 12.502 5.409 18.116 1.00 0.00 C ATOM 1130 CD GLU A 69 13.353 4.393 18.854 1.00 0.00 C ATOM 1131 OE1 GLU A 69 13.207 3.184 18.578 1.00 0.00 O ATOM 1132 OE2 GLU A 69 14.167 4.808 19.706 1.00 0.00 O ATOM 0 H GLU A 69 9.607 3.301 17.213 1.00 0.00 H new ATOM 0 HA GLU A 69 11.006 3.475 18.929 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.577 6.338 18.182 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.286 6.045 19.757 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.362 5.081 17.086 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.030 6.362 18.078 1.00 0.00 H new ATOM 1139 N VAL A 70 9.054 3.176 20.609 1.00 0.00 N ATOM 1140 CA VAL A 70 8.266 3.059 21.830 1.00 0.00 C ATOM 1141 C VAL A 70 8.531 1.731 22.531 1.00 0.00 C ATOM 1142 O VAL A 70 7.652 1.181 23.194 1.00 0.00 O ATOM 1143 CB VAL A 70 6.759 3.180 21.540 1.00 0.00 C ATOM 1144 CG1 VAL A 70 6.386 4.623 21.240 1.00 0.00 C ATOM 1145 CG2 VAL A 70 6.362 2.269 20.387 1.00 0.00 C ATOM 0 H VAL A 70 9.212 2.293 20.123 1.00 0.00 H new ATOM 0 HA VAL A 70 8.570 3.878 22.481 1.00 0.00 H new ATOM 0 HB VAL A 70 6.211 2.865 22.428 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.317 4.688 21.038 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.631 5.248 22.098 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.942 4.969 20.369 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.293 2.368 20.196 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.918 2.551 19.493 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.590 1.235 20.645 1.00 0.00 H new ATOM 1155 N VAL A 71 9.750 1.220 22.379 1.00 0.00 N ATOM 1156 CA VAL A 71 10.132 -0.044 22.997 1.00 0.00 C ATOM 1157 C VAL A 71 11.291 0.147 23.969 1.00 0.00 C ATOM 1158 O VAL A 71 11.311 -0.444 25.049 1.00 0.00 O ATOM 1159 CB VAL A 71 10.532 -1.088 21.937 1.00 0.00 C ATOM 1160 CG1 VAL A 71 9.306 -1.600 21.200 1.00 0.00 C ATOM 1161 CG2 VAL A 71 11.543 -0.500 20.965 1.00 0.00 C ATOM 0 H VAL A 71 10.489 1.663 21.833 1.00 0.00 H new ATOM 0 HA VAL A 71 9.260 -0.406 23.543 1.00 0.00 H new ATOM 0 HB VAL A 71 10.999 -1.933 22.444 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.610 -2.336 20.456 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.622 -2.063 21.911 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.806 -0.768 20.704 1.00 0.00 H new ATOM 0 HG21 VAL A 71 11.814 -1.251 20.223 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.106 0.364 20.464 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.434 -0.190 21.510 1.00 0.00 H new ATOM 1171 N GLU A 72 12.253 0.975 23.579 1.00 0.00 N ATOM 1172 CA GLU A 72 13.416 1.245 24.416 1.00 0.00 C ATOM 1173 C GLU A 72 14.215 -0.032 24.666 1.00 0.00 C ATOM 1174 O GLU A 72 14.736 -0.246 25.760 1.00 0.00 O ATOM 1175 CB GLU A 72 12.982 1.857 25.749 1.00 0.00 C ATOM 1176 CG GLU A 72 14.139 2.369 26.591 1.00 0.00 C ATOM 1177 CD GLU A 72 14.274 3.878 26.538 1.00 0.00 C ATOM 1178 OE1 GLU A 72 13.589 4.563 27.326 1.00 0.00 O ATOM 1179 OE2 GLU A 72 15.065 4.375 25.709 1.00 0.00 O ATOM 0 H GLU A 72 12.251 1.471 22.688 1.00 0.00 H new ATOM 0 HA GLU A 72 14.054 1.955 23.889 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.294 2.680 25.554 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.431 1.109 26.320 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.997 2.057 27.626 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.066 1.912 26.244 1.00 0.00 H new ATOM 1186 N LYS A 73 14.306 -0.876 23.644 1.00 0.00 N ATOM 1187 CA LYS A 73 15.042 -2.131 23.751 1.00 0.00 C ATOM 1188 C LYS A 73 15.198 -2.790 22.382 1.00 0.00 C ATOM 1189 O LYS A 73 14.601 -3.833 22.115 1.00 0.00 O ATOM 1190 CB LYS A 73 14.328 -3.083 24.714 1.00 0.00 C ATOM 1191 CG LYS A 73 14.805 -2.961 26.153 1.00 0.00 C ATOM 1192 CD LYS A 73 14.832 -4.315 26.846 1.00 0.00 C ATOM 1193 CE LYS A 73 13.429 -4.852 27.074 1.00 0.00 C ATOM 1194 NZ LYS A 73 12.953 -4.598 28.462 1.00 0.00 N ATOM 0 H LYS A 73 13.879 -0.714 22.732 1.00 0.00 H new ATOM 0 HA LYS A 73 16.036 -1.910 24.141 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.256 -2.888 24.677 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.477 -4.108 24.376 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.802 -2.521 26.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.148 -2.284 26.699 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.400 -5.023 26.242 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.348 -4.225 27.802 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.743 -4.388 26.365 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.414 -5.924 26.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.992 -4.980 28.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.592 -5.062 29.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.942 -3.574 28.643 1.00 0.00 H new ATOM 1208 N PRO A 74 16.006 -2.186 21.494 1.00 0.00 N ATOM 1209 CA PRO A 74 16.239 -2.719 20.148 1.00 0.00 C ATOM 1210 C PRO A 74 16.734 -4.161 20.174 1.00 0.00 C ATOM 1211 O PRO A 74 17.938 -4.414 20.173 1.00 0.00 O ATOM 1212 CB PRO A 74 17.317 -1.794 19.575 1.00 0.00 C ATOM 1213 CG PRO A 74 17.191 -0.531 20.353 1.00 0.00 C ATOM 1214 CD PRO A 74 16.754 -0.939 21.732 1.00 0.00 C ATOM 0 HA PRO A 74 15.323 -2.742 19.557 1.00 0.00 H new ATOM 0 HB2 PRO A 74 18.310 -2.229 19.686 1.00 0.00 H new ATOM 0 HB3 PRO A 74 17.162 -1.619 18.510 1.00 0.00 H new ATOM 0 HG2 PRO A 74 18.140 0.004 20.386 1.00 0.00 H new ATOM 0 HG3 PRO A 74 16.464 0.139 19.895 1.00 0.00 H new ATOM 0 HD2 PRO A 74 17.606 -1.100 22.393 1.00 0.00 H new ATOM 0 HD3 PRO A 74 16.129 -0.177 22.198 1.00 0.00 H new ATOM 1222 N GLN A 75 15.796 -5.104 20.196 1.00 0.00 N ATOM 1223 CA GLN A 75 16.138 -6.521 20.222 1.00 0.00 C ATOM 1224 C GLN A 75 14.882 -7.385 20.174 1.00 0.00 C ATOM 1225 O GLN A 75 14.372 -7.814 21.209 1.00 0.00 O ATOM 1226 CB GLN A 75 16.951 -6.849 21.476 1.00 0.00 C ATOM 1227 CG GLN A 75 16.223 -6.530 22.772 1.00 0.00 C ATOM 1228 CD GLN A 75 17.112 -5.831 23.783 1.00 0.00 C ATOM 1229 OE1 GLN A 75 16.825 -4.712 24.210 1.00 0.00 O ATOM 1230 NE2 GLN A 75 18.200 -6.487 24.169 1.00 0.00 N ATOM 0 H GLN A 75 14.794 -4.912 20.196 1.00 0.00 H new ATOM 0 HA GLN A 75 16.741 -6.740 19.341 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.209 -7.908 21.465 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.888 -6.292 21.448 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.361 -5.900 22.555 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.841 -7.454 23.207 1.00 0.00 H new ATOM 0 HE21 GLN A 75 18.399 -7.413 23.789 1.00 0.00 H new ATOM 0 HE22 GLN A 75 18.837 -6.065 24.845 1.00 0.00 H new ATOM 1239 N SER A 76 14.389 -7.637 18.966 1.00 0.00 N ATOM 1240 CA SER A 76 13.193 -8.450 18.783 1.00 0.00 C ATOM 1241 C SER A 76 12.893 -8.652 17.301 1.00 0.00 C ATOM 1242 O SER A 76 12.148 -7.825 16.732 1.00 0.00 O ATOM 1243 CB SER A 76 11.995 -7.795 19.474 1.00 0.00 C ATOM 1244 OG SER A 76 11.869 -8.242 20.812 1.00 0.00 O ATOM 1245 OXT SER A 76 13.405 -9.632 16.722 1.00 0.00 O ATOM 0 H SER A 76 14.800 -7.290 18.099 1.00 0.00 H new ATOM 0 HA SER A 76 13.375 -9.426 19.234 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.111 -6.711 19.459 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.083 -8.026 18.923 1.00 0.00 H new ATOM 0 HG SER A 76 12.759 -8.404 21.188 1.00 0.00 H new TER 1251 SER A 76