USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 948 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 37 CYS SG : rot 158:sc= -1.06 USER MOD Set 1.2: A 41 GLN : amide:sc= -1.57! C(o=-2.6!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0193 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -59:sc= 0.126 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -18:sc= 0.74 USER MOD Single : A 8 ASN : amide:sc= -0.0907 X(o=-0.091,f=-0.091) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.5!) USER MOD Single : A 26 MET CE :methyl 145:sc= 0 (180deg=-0.965) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.301 USER MOD Single : A 38 GLN : amide:sc= -1.25 K(o=-1.2,f=-2) USER MOD Single : A 39 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.6) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.00965 X(o=0.0097,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 132:sc= 0.994 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.325 X(o=-0.32,f=0.059) USER MOD Single : A 84 CYS SG : rot 96:sc= -2.23! USER MOD Single : A 85 LYS NZ :NH3+ 131:sc= 0.0764 (180deg=-0.309) USER MOD Single : A 92 TYR OH : rot 111:sc= -0.722 USER MOD Single : A 93 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.52) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.92) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0387) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.133 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 138:sc= -0.0562 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.665 -19.717 3.111 1.00 0.00 N ATOM 2 CA GLY A 1 -12.012 -18.352 2.761 1.00 0.00 C ATOM 3 C GLY A 1 -11.599 -17.357 3.828 1.00 0.00 C ATOM 4 O GLY A 1 -11.608 -17.673 5.018 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.863 -20.031 2.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.402 -19.761 4.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.482 -20.338 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.533 -18.089 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.088 -18.283 2.602 1.00 0.00 H new ATOM 8 N SER A 2 -11.234 -16.152 3.402 1.00 0.00 N ATOM 9 CA SER A 2 -10.810 -15.110 4.329 1.00 0.00 C ATOM 10 C SER A 2 -10.639 -13.777 3.606 1.00 0.00 C ATOM 11 O SER A 2 -9.926 -13.687 2.607 1.00 0.00 O ATOM 12 CB SER A 2 -9.498 -15.506 5.010 1.00 0.00 C ATOM 13 OG SER A 2 -9.310 -14.784 6.214 1.00 0.00 O ATOM 0 H SER A 2 -11.223 -15.873 2.421 1.00 0.00 H new ATOM 0 HA SER A 2 -11.584 -14.996 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.502 -16.575 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.663 -15.317 4.335 1.00 0.00 H new ATOM 0 HG SER A 2 -8.466 -15.057 6.630 1.00 0.00 H new ATOM 19 N SER A 3 -11.298 -12.744 4.121 1.00 0.00 N ATOM 20 CA SER A 3 -11.223 -11.415 3.523 1.00 0.00 C ATOM 21 C SER A 3 -11.290 -11.500 2.001 1.00 0.00 C ATOM 22 O SER A 3 -10.554 -10.810 1.297 1.00 0.00 O ATOM 23 CB SER A 3 -9.933 -10.713 3.950 1.00 0.00 C ATOM 24 OG SER A 3 -9.996 -9.323 3.681 1.00 0.00 O ATOM 0 H SER A 3 -11.889 -12.801 4.950 1.00 0.00 H new ATOM 0 HA SER A 3 -12.077 -10.836 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.763 -10.873 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.085 -11.151 3.423 1.00 0.00 H new ATOM 0 HG SER A 3 -10.136 -9.182 2.721 1.00 0.00 H new ATOM 30 N GLY A 4 -12.180 -12.351 1.501 1.00 0.00 N ATOM 31 CA GLY A 4 -12.328 -12.511 0.066 1.00 0.00 C ATOM 32 C GLY A 4 -13.512 -11.741 -0.485 1.00 0.00 C ATOM 33 O GLY A 4 -14.247 -11.099 0.266 1.00 0.00 O ATOM 0 H GLY A 4 -12.801 -12.932 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.417 -12.174 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.446 -13.569 -0.168 1.00 0.00 H new ATOM 37 N SER A 5 -13.697 -11.803 -1.799 1.00 0.00 N ATOM 38 CA SER A 5 -14.796 -11.101 -2.451 1.00 0.00 C ATOM 39 C SER A 5 -14.978 -9.707 -1.858 1.00 0.00 C ATOM 40 O SER A 5 -16.102 -9.266 -1.615 1.00 0.00 O ATOM 41 CB SER A 5 -16.093 -11.901 -2.311 1.00 0.00 C ATOM 42 OG SER A 5 -15.923 -13.233 -2.763 1.00 0.00 O ATOM 0 H SER A 5 -13.100 -12.333 -2.434 1.00 0.00 H new ATOM 0 HA SER A 5 -14.553 -10.998 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.410 -11.905 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.885 -11.418 -2.883 1.00 0.00 H new ATOM 0 HG SER A 5 -16.766 -13.723 -2.661 1.00 0.00 H new ATOM 48 N SER A 6 -13.865 -9.019 -1.627 1.00 0.00 N ATOM 49 CA SER A 6 -13.900 -7.677 -1.059 1.00 0.00 C ATOM 50 C SER A 6 -12.623 -6.912 -1.394 1.00 0.00 C ATOM 51 O SER A 6 -11.590 -7.508 -1.698 1.00 0.00 O ATOM 52 CB SER A 6 -14.082 -7.747 0.459 1.00 0.00 C ATOM 53 OG SER A 6 -15.277 -8.429 0.798 1.00 0.00 O ATOM 0 H SER A 6 -12.927 -9.369 -1.825 1.00 0.00 H new ATOM 0 HA SER A 6 -14.746 -7.147 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.229 -8.256 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.105 -6.739 0.873 1.00 0.00 H new ATOM 0 HG SER A 6 -15.871 -8.454 0.019 1.00 0.00 H new ATOM 59 N GLY A 7 -12.702 -5.586 -1.336 1.00 0.00 N ATOM 60 CA GLY A 7 -11.547 -4.760 -1.636 1.00 0.00 C ATOM 61 C GLY A 7 -10.314 -5.185 -0.863 1.00 0.00 C ATOM 62 O GLY A 7 -10.150 -4.828 0.302 1.00 0.00 O ATOM 0 H GLY A 7 -13.545 -5.069 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.337 -4.809 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.777 -3.720 -1.404 1.00 0.00 H new ATOM 66 N ASN A 8 -9.445 -5.951 -1.514 1.00 0.00 N ATOM 67 CA ASN A 8 -8.222 -6.428 -0.880 1.00 0.00 C ATOM 68 C ASN A 8 -7.586 -5.330 -0.032 1.00 0.00 C ATOM 69 O ASN A 8 -7.005 -5.601 1.019 1.00 0.00 O ATOM 70 CB ASN A 8 -7.228 -6.910 -1.939 1.00 0.00 C ATOM 71 CG ASN A 8 -7.812 -7.989 -2.830 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.114 -9.091 -2.373 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.972 -7.675 -4.111 1.00 0.00 N ATOM 0 H ASN A 8 -9.565 -6.255 -2.480 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.481 -7.262 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.917 -6.065 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.334 -7.293 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.359 -8.360 -4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.708 -6.749 -4.446 1.00 0.00 H new ATOM 80 N VAL A 9 -7.700 -4.090 -0.496 1.00 0.00 N ATOM 81 CA VAL A 9 -7.138 -2.951 0.219 1.00 0.00 C ATOM 82 C VAL A 9 -7.990 -2.589 1.431 1.00 0.00 C ATOM 83 O VAL A 9 -9.215 -2.516 1.341 1.00 0.00 O ATOM 84 CB VAL A 9 -7.016 -1.718 -0.696 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.401 -0.550 0.061 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.197 -2.052 -1.933 1.00 0.00 C ATOM 0 H VAL A 9 -8.177 -3.849 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.143 -3.246 0.552 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.016 -1.426 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.323 0.312 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.031 -0.297 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.408 -0.828 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.121 -1.170 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.199 -2.370 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.684 -2.856 -2.485 1.00 0.00 H new ATOM 96 N ARG A 10 -7.332 -2.362 2.563 1.00 0.00 N ATOM 97 CA ARG A 10 -8.029 -2.008 3.794 1.00 0.00 C ATOM 98 C ARG A 10 -7.996 -0.500 4.022 1.00 0.00 C ATOM 99 O ARG A 10 -7.041 0.176 3.639 1.00 0.00 O ATOM 100 CB ARG A 10 -7.399 -2.729 4.987 1.00 0.00 C ATOM 101 CG ARG A 10 -7.751 -4.206 5.061 1.00 0.00 C ATOM 102 CD ARG A 10 -9.011 -4.438 5.881 1.00 0.00 C ATOM 103 NE ARG A 10 -10.223 -4.253 5.086 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.449 -4.292 5.596 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.625 -4.509 6.892 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.502 -4.115 4.808 1.00 0.00 N ATOM 0 H ARG A 10 -6.317 -2.417 2.653 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.069 -2.321 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.315 -2.625 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.721 -2.241 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.894 -4.598 4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.921 -4.757 5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.996 -5.448 6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.024 -3.751 6.727 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.122 -4.085 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.818 -4.647 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.568 -4.538 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.370 -3.949 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.443 -4.145 5.200 1.00 0.00 H new ATOM 120 N VAL A 11 -9.046 0.021 4.650 1.00 0.00 N ATOM 121 CA VAL A 11 -9.137 1.449 4.930 1.00 0.00 C ATOM 122 C VAL A 11 -8.905 1.735 6.409 1.00 0.00 C ATOM 123 O VAL A 11 -9.823 1.632 7.223 1.00 0.00 O ATOM 124 CB VAL A 11 -10.509 2.015 4.519 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.638 3.469 4.947 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.716 1.872 3.018 1.00 0.00 C ATOM 0 H VAL A 11 -9.845 -0.524 4.974 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.360 1.937 4.342 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.285 1.442 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.614 3.851 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.537 3.540 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.856 4.059 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.690 2.277 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.935 2.418 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.671 0.818 2.743 1.00 0.00 H new ATOM 136 N ILE A 12 -7.672 2.094 6.750 1.00 0.00 N ATOM 137 CA ILE A 12 -7.319 2.397 8.131 1.00 0.00 C ATOM 138 C ILE A 12 -7.750 3.809 8.513 1.00 0.00 C ATOM 139 O ILE A 12 -7.588 4.751 7.736 1.00 0.00 O ATOM 140 CB ILE A 12 -5.804 2.253 8.370 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.364 0.807 8.131 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.446 2.695 9.781 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.896 -0.165 9.161 1.00 0.00 C ATOM 0 H ILE A 12 -6.901 2.182 6.088 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.848 1.677 8.756 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.277 2.895 7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.697 0.493 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.275 0.763 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.372 2.587 9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.729 3.739 9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.980 2.076 10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.544 -1.170 8.929 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.542 0.124 10.151 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.986 -0.150 9.147 1.00 0.00 H new ATOM 155 N THR A 13 -8.300 3.950 9.715 1.00 0.00 N ATOM 156 CA THR A 13 -8.754 5.247 10.200 1.00 0.00 C ATOM 157 C THR A 13 -7.911 5.718 11.380 1.00 0.00 C ATOM 158 O THR A 13 -6.916 5.087 11.736 1.00 0.00 O ATOM 159 CB THR A 13 -10.233 5.200 10.628 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.415 4.225 11.660 1.00 0.00 O ATOM 161 CG2 THR A 13 -11.128 4.865 9.444 1.00 0.00 C ATOM 0 H THR A 13 -8.442 3.181 10.370 1.00 0.00 H new ATOM 0 HA THR A 13 -8.644 5.950 9.374 1.00 0.00 H new ATOM 0 HB THR A 13 -10.510 6.184 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.358 4.203 11.927 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.168 4.837 9.770 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.010 5.625 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.848 3.892 9.040 1.00 0.00 H new ATOM 169 N ASP A 14 -8.315 6.831 11.982 1.00 0.00 N ATOM 170 CA ASP A 14 -7.597 7.387 13.123 1.00 0.00 C ATOM 171 C ASP A 14 -7.739 6.485 14.346 1.00 0.00 C ATOM 172 O ASP A 14 -7.180 6.768 15.405 1.00 0.00 O ATOM 173 CB ASP A 14 -8.116 8.789 13.446 1.00 0.00 C ATOM 174 CG ASP A 14 -9.606 8.926 13.201 1.00 0.00 C ATOM 175 OD1 ASP A 14 -10.390 8.320 13.962 1.00 0.00 O ATOM 176 OD2 ASP A 14 -9.988 9.639 12.250 1.00 0.00 O ATOM 0 H ASP A 14 -9.136 7.366 11.699 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.541 7.450 12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.899 9.022 14.488 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.582 9.520 12.838 1.00 0.00 H new ATOM 181 N GLU A 15 -8.492 5.401 14.191 1.00 0.00 N ATOM 182 CA GLU A 15 -8.709 4.459 15.283 1.00 0.00 C ATOM 183 C GLU A 15 -8.045 3.118 14.985 1.00 0.00 C ATOM 184 O GLU A 15 -7.401 2.527 15.850 1.00 0.00 O ATOM 185 CB GLU A 15 -10.206 4.258 15.523 1.00 0.00 C ATOM 186 CG GLU A 15 -10.517 3.305 16.665 1.00 0.00 C ATOM 187 CD GLU A 15 -12.005 3.072 16.842 1.00 0.00 C ATOM 188 OE1 GLU A 15 -12.695 2.843 15.827 1.00 0.00 O ATOM 189 OE2 GLU A 15 -12.479 3.118 17.997 1.00 0.00 O ATOM 0 H GLU A 15 -8.962 5.153 13.320 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.257 4.876 16.183 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.665 5.224 15.732 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.664 3.879 14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.023 2.351 16.482 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.103 3.706 17.590 1.00 0.00 H new ATOM 196 N ASN A 16 -8.209 2.644 13.754 1.00 0.00 N ATOM 197 CA ASN A 16 -7.628 1.372 13.341 1.00 0.00 C ATOM 198 C ASN A 16 -6.103 1.438 13.364 1.00 0.00 C ATOM 199 O ASN A 16 -5.430 0.415 13.490 1.00 0.00 O ATOM 200 CB ASN A 16 -8.112 0.997 11.939 1.00 0.00 C ATOM 201 CG ASN A 16 -9.624 1.022 11.824 1.00 0.00 C ATOM 202 OD1 ASN A 16 -10.330 1.222 12.813 1.00 0.00 O ATOM 203 ND2 ASN A 16 -10.128 0.817 10.613 1.00 0.00 N ATOM 0 H ASN A 16 -8.739 3.122 13.025 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.952 0.607 14.046 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.684 1.688 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.747 0.002 11.686 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.138 0.821 10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.505 0.655 9.822 1.00 0.00 H new ATOM 210 N TRP A 17 -5.567 2.646 13.242 1.00 0.00 N ATOM 211 CA TRP A 17 -4.122 2.846 13.250 1.00 0.00 C ATOM 212 C TRP A 17 -3.447 1.899 14.236 1.00 0.00 C ATOM 213 O TRP A 17 -2.423 1.291 13.925 1.00 0.00 O ATOM 214 CB TRP A 17 -3.789 4.296 13.606 1.00 0.00 C ATOM 215 CG TRP A 17 -3.620 4.522 15.077 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.526 5.086 15.929 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.474 4.192 15.869 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.013 5.126 17.203 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.755 4.582 17.193 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.238 3.602 15.589 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -1.845 4.403 18.231 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.336 3.425 16.621 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.643 3.823 17.929 1.00 0.00 C ATOM 0 H TRP A 17 -6.111 3.503 13.136 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.745 2.629 12.251 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.872 4.587 13.093 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.582 4.945 13.235 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.503 5.448 15.643 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.491 5.500 18.023 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.992 3.290 14.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.079 4.711 19.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.623 2.972 16.416 1.00 0.00 H new ATOM 0 HH2 TRP A 17 0.083 3.669 18.714 1.00 0.00 H new ATOM 234 N ARG A 18 -4.027 1.779 15.425 1.00 0.00 N ATOM 235 CA ARG A 18 -3.480 0.906 16.457 1.00 0.00 C ATOM 236 C ARG A 18 -3.264 -0.505 15.918 1.00 0.00 C ATOM 237 O ARG A 18 -2.220 -1.114 16.147 1.00 0.00 O ATOM 238 CB ARG A 18 -4.415 0.863 17.668 1.00 0.00 C ATOM 239 CG ARG A 18 -4.501 2.183 18.417 1.00 0.00 C ATOM 240 CD ARG A 18 -5.250 2.029 19.732 1.00 0.00 C ATOM 241 NE ARG A 18 -4.594 1.080 20.628 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.820 -0.229 20.606 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.681 -0.742 19.737 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.184 -1.028 21.453 1.00 0.00 N ATOM 0 H ARG A 18 -4.875 2.275 15.698 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.516 1.310 16.765 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.413 0.577 17.336 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.073 0.087 18.353 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.496 2.559 18.611 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.004 2.924 17.795 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.324 2.999 20.223 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.268 1.695 19.532 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.926 1.442 21.308 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.171 -0.131 19.084 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.853 -1.747 19.722 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.521 -0.637 22.122 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.358 -2.033 21.435 1.00 0.00 H new ATOM 258 N GLU A 19 -4.260 -1.018 15.201 1.00 0.00 N ATOM 259 CA GLU A 19 -4.179 -2.357 14.631 1.00 0.00 C ATOM 260 C GLU A 19 -2.825 -2.583 13.964 1.00 0.00 C ATOM 261 O GLU A 19 -2.307 -3.701 13.946 1.00 0.00 O ATOM 262 CB GLU A 19 -5.302 -2.572 13.615 1.00 0.00 C ATOM 263 CG GLU A 19 -6.682 -2.670 14.245 1.00 0.00 C ATOM 264 CD GLU A 19 -6.825 -3.877 15.151 1.00 0.00 C ATOM 265 OE1 GLU A 19 -7.195 -4.958 14.644 1.00 0.00 O ATOM 266 OE2 GLU A 19 -6.569 -3.743 16.365 1.00 0.00 O ATOM 0 H GLU A 19 -5.131 -0.526 15.002 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.290 -3.077 15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.296 -1.750 12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.103 -3.485 13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.881 -1.764 14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.434 -2.720 13.458 1.00 0.00 H new ATOM 273 N LEU A 20 -2.257 -1.515 13.415 1.00 0.00 N ATOM 274 CA LEU A 20 -0.963 -1.595 12.746 1.00 0.00 C ATOM 275 C LEU A 20 0.122 -2.059 13.712 1.00 0.00 C ATOM 276 O LEU A 20 0.978 -2.872 13.358 1.00 0.00 O ATOM 277 CB LEU A 20 -0.588 -0.236 12.154 1.00 0.00 C ATOM 278 CG LEU A 20 -1.670 0.457 11.324 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.311 1.917 11.092 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.869 -0.263 9.999 1.00 0.00 C ATOM 0 H LEU A 20 -2.672 -0.583 13.420 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.043 -2.325 11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.304 0.428 12.971 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.294 -0.366 11.528 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.607 0.419 11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.092 2.394 10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.221 2.426 12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.363 1.978 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.642 0.244 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.935 -0.257 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.173 -1.293 10.187 1.00 0.00 H new ATOM 292 N LEU A 21 0.081 -1.540 14.934 1.00 0.00 N ATOM 293 CA LEU A 21 1.059 -1.902 15.953 1.00 0.00 C ATOM 294 C LEU A 21 1.223 -3.416 16.037 1.00 0.00 C ATOM 295 O LEU A 21 2.299 -3.916 16.362 1.00 0.00 O ATOM 296 CB LEU A 21 0.636 -1.347 17.314 1.00 0.00 C ATOM 297 CG LEU A 21 0.453 0.169 17.394 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.337 0.547 18.637 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.804 0.870 17.385 1.00 0.00 C ATOM 0 H LEU A 21 -0.620 -0.867 15.243 1.00 0.00 H new ATOM 0 HA LEU A 21 2.018 -1.466 15.672 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.302 -1.822 17.602 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.382 -1.642 18.052 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.109 0.494 16.519 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.457 1.630 18.677 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.318 0.074 18.602 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.197 0.209 19.525 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.655 1.948 17.442 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.391 0.539 18.241 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.335 0.626 16.465 1.00 0.00 H new ATOM 311 N GLU A 22 0.148 -4.140 15.739 1.00 0.00 N ATOM 312 CA GLU A 22 0.174 -5.597 15.780 1.00 0.00 C ATOM 313 C GLU A 22 0.302 -6.179 14.374 1.00 0.00 C ATOM 314 O GLU A 22 -0.266 -5.652 13.419 1.00 0.00 O ATOM 315 CB GLU A 22 -1.091 -6.134 16.452 1.00 0.00 C ATOM 316 CG GLU A 22 -2.373 -5.524 15.911 1.00 0.00 C ATOM 317 CD GLU A 22 -3.614 -6.105 16.560 1.00 0.00 C ATOM 318 OE1 GLU A 22 -3.724 -7.347 16.626 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.476 -5.316 17.003 1.00 0.00 O ATOM 0 H GLU A 22 -0.751 -3.741 15.467 1.00 0.00 H new ATOM 0 HA GLU A 22 1.043 -5.902 16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.130 -7.216 16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.032 -5.944 17.524 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.354 -4.446 16.072 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.421 -5.685 14.834 1.00 0.00 H new ATOM 326 N GLY A 23 1.053 -7.269 14.257 1.00 0.00 N ATOM 327 CA GLY A 23 1.243 -7.904 12.966 1.00 0.00 C ATOM 328 C GLY A 23 1.806 -6.952 11.929 1.00 0.00 C ATOM 329 O GLY A 23 2.188 -5.828 12.252 1.00 0.00 O ATOM 0 H GLY A 23 1.534 -7.724 15.033 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.916 -8.754 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.289 -8.297 12.614 1.00 0.00 H new ATOM 333 N ASP A 24 1.859 -7.404 10.681 1.00 0.00 N ATOM 334 CA ASP A 24 2.380 -6.585 9.593 1.00 0.00 C ATOM 335 C ASP A 24 1.260 -5.794 8.924 1.00 0.00 C ATOM 336 O ASP A 24 0.128 -6.265 8.825 1.00 0.00 O ATOM 337 CB ASP A 24 3.089 -7.462 8.560 1.00 0.00 C ATOM 338 CG ASP A 24 4.440 -7.950 9.044 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.574 -8.220 10.256 1.00 0.00 O ATOM 340 OD2 ASP A 24 5.363 -8.063 8.211 1.00 0.00 O ATOM 0 H ASP A 24 1.548 -8.333 10.398 1.00 0.00 H new ATOM 0 HA ASP A 24 3.097 -5.880 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.460 -8.320 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.219 -6.898 7.637 1.00 0.00 H new ATOM 345 N TRP A 25 1.585 -4.589 8.469 1.00 0.00 N ATOM 346 CA TRP A 25 0.606 -3.732 7.810 1.00 0.00 C ATOM 347 C TRP A 25 1.274 -2.843 6.767 1.00 0.00 C ATOM 348 O TRP A 25 2.179 -2.072 7.084 1.00 0.00 O ATOM 349 CB TRP A 25 -0.122 -2.868 8.842 1.00 0.00 C ATOM 350 CG TRP A 25 -1.178 -3.614 9.602 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.991 -4.411 10.695 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.582 -3.633 9.323 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.196 -4.924 11.113 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.187 -4.462 10.289 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.387 -3.030 8.353 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.558 -4.701 10.309 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.748 -3.269 8.375 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.323 -4.098 9.348 1.00 0.00 C ATOM 0 H TRP A 25 2.518 -4.184 8.544 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.118 -4.372 7.305 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.606 -2.465 9.546 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.580 -2.018 8.336 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.038 -4.609 11.162 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.330 -5.548 11.909 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.953 -2.389 7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.003 -5.340 11.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.380 -2.809 7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.390 -4.264 9.339 1.00 0.00 H new ATOM 369 N MET A 26 0.822 -2.957 5.522 1.00 0.00 N ATOM 370 CA MET A 26 1.377 -2.162 4.433 1.00 0.00 C ATOM 371 C MET A 26 0.504 -0.943 4.150 1.00 0.00 C ATOM 372 O MET A 26 -0.609 -1.071 3.639 1.00 0.00 O ATOM 373 CB MET A 26 1.510 -3.013 3.168 1.00 0.00 C ATOM 374 CG MET A 26 2.783 -3.842 3.125 1.00 0.00 C ATOM 375 SD MET A 26 4.267 -2.829 2.971 1.00 0.00 S ATOM 376 CE MET A 26 4.368 -2.645 1.192 1.00 0.00 C ATOM 0 H MET A 26 0.074 -3.592 5.243 1.00 0.00 H new ATOM 0 HA MET A 26 2.366 -1.817 4.736 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.650 -3.679 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.482 -2.360 2.296 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.851 -4.444 4.031 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.732 -4.535 2.285 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.755 -1.655 0.950 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.035 -3.405 0.785 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.375 -2.763 0.757 1.00 0.00 H new ATOM 386 N ILE A 27 1.016 0.236 4.486 1.00 0.00 N ATOM 387 CA ILE A 27 0.283 1.477 4.267 1.00 0.00 C ATOM 388 C ILE A 27 0.953 2.329 3.195 1.00 0.00 C ATOM 389 O ILE A 27 2.167 2.264 3.006 1.00 0.00 O ATOM 390 CB ILE A 27 0.168 2.299 5.564 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.262 1.402 6.726 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.816 3.445 5.379 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.263 1.859 8.069 1.00 0.00 C ATOM 0 H ILE A 27 1.935 0.358 4.911 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.717 1.199 3.934 1.00 0.00 H new ATOM 0 HB ILE A 27 1.146 2.720 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.351 1.367 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.083 0.386 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.887 4.017 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.470 4.096 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.797 3.045 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.081 1.176 8.846 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.353 1.867 8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.104 2.864 8.280 1.00 0.00 H new ATOM 405 N GLU A 28 0.153 3.130 2.497 1.00 0.00 N ATOM 406 CA GLU A 28 0.670 3.997 1.445 1.00 0.00 C ATOM 407 C GLU A 28 -0.116 5.303 1.381 1.00 0.00 C ATOM 408 O GLU A 28 -1.251 5.335 0.904 1.00 0.00 O ATOM 409 CB GLU A 28 0.609 3.285 0.091 1.00 0.00 C ATOM 410 CG GLU A 28 -0.778 2.777 -0.267 1.00 0.00 C ATOM 411 CD GLU A 28 -1.576 3.782 -1.075 1.00 0.00 C ATOM 412 OE1 GLU A 28 -1.022 4.334 -2.049 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.754 4.016 -0.734 1.00 0.00 O ATOM 0 H GLU A 28 -0.855 3.196 2.641 1.00 0.00 H new ATOM 0 HA GLU A 28 1.709 4.230 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.948 3.970 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.303 2.445 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.687 1.851 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.321 2.538 0.648 1.00 0.00 H new ATOM 420 N PHE A 29 0.496 6.379 1.865 1.00 0.00 N ATOM 421 CA PHE A 29 -0.146 7.688 1.865 1.00 0.00 C ATOM 422 C PHE A 29 -0.251 8.243 0.447 1.00 0.00 C ATOM 423 O PHE A 29 0.760 8.502 -0.206 1.00 0.00 O ATOM 424 CB PHE A 29 0.635 8.663 2.749 1.00 0.00 C ATOM 425 CG PHE A 29 0.533 8.354 4.216 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.195 7.263 4.755 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.224 9.156 5.055 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.104 6.977 6.104 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.318 8.874 6.404 1.00 0.00 C ATOM 430 CZ PHE A 29 0.346 7.783 6.930 1.00 0.00 C ATOM 0 H PHE A 29 1.435 6.370 2.262 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.153 7.571 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.684 8.648 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.269 9.674 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.789 6.629 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.746 10.010 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.625 6.124 6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.911 9.507 7.048 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.272 7.561 7.984 1.00 0.00 H new ATOM 440 N TYR A 30 -1.481 8.421 -0.023 1.00 0.00 N ATOM 441 CA TYR A 30 -1.719 8.941 -1.364 1.00 0.00 C ATOM 442 C TYR A 30 -2.578 10.200 -1.315 1.00 0.00 C ATOM 443 O TYR A 30 -3.083 10.580 -0.259 1.00 0.00 O ATOM 444 CB TYR A 30 -2.397 7.880 -2.232 1.00 0.00 C ATOM 445 CG TYR A 30 -3.881 7.747 -1.976 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.784 8.653 -2.519 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.381 6.714 -1.192 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.141 8.535 -2.286 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.736 6.588 -0.955 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.612 7.501 -1.504 1.00 0.00 C ATOM 451 OH TYR A 30 -7.963 7.379 -1.272 1.00 0.00 O ATOM 0 H TYR A 30 -2.328 8.213 0.505 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.755 9.198 -1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.238 8.126 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.918 6.917 -2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.419 9.463 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.698 5.997 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.829 9.249 -2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.107 5.779 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.128 6.598 -0.703 1.00 0.00 H new ATOM 461 N ALA A 31 -2.741 10.843 -2.467 1.00 0.00 N ATOM 462 CA ALA A 31 -3.542 12.058 -2.557 1.00 0.00 C ATOM 463 C ALA A 31 -4.277 12.132 -3.891 1.00 0.00 C ATOM 464 O ALA A 31 -3.732 11.809 -4.947 1.00 0.00 O ATOM 465 CB ALA A 31 -2.662 13.285 -2.368 1.00 0.00 C ATOM 0 H ALA A 31 -2.329 10.543 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.287 12.033 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.273 14.185 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.186 13.244 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.896 13.306 -3.143 1.00 0.00 H new ATOM 471 N PRO A 32 -5.545 12.567 -3.845 1.00 0.00 N ATOM 472 CA PRO A 32 -6.383 12.694 -5.042 1.00 0.00 C ATOM 473 C PRO A 32 -5.924 13.827 -5.953 1.00 0.00 C ATOM 474 O PRO A 32 -6.321 13.900 -7.116 1.00 0.00 O ATOM 475 CB PRO A 32 -7.771 12.994 -4.472 1.00 0.00 C ATOM 476 CG PRO A 32 -7.510 13.618 -3.145 1.00 0.00 C ATOM 477 CD PRO A 32 -6.259 12.969 -2.621 1.00 0.00 C ATOM 0 HA PRO A 32 -6.347 11.799 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.329 13.667 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.363 12.084 -4.372 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.380 14.696 -3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.347 13.456 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.669 13.661 -2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.486 12.111 -1.988 1.00 0.00 H new ATOM 485 N TRP A 33 -5.086 14.708 -5.417 1.00 0.00 N ATOM 486 CA TRP A 33 -4.574 15.838 -6.184 1.00 0.00 C ATOM 487 C TRP A 33 -3.110 15.625 -6.554 1.00 0.00 C ATOM 488 O TRP A 33 -2.379 16.583 -6.809 1.00 0.00 O ATOM 489 CB TRP A 33 -4.727 17.134 -5.386 1.00 0.00 C ATOM 490 CG TRP A 33 -4.682 16.926 -3.902 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.737 16.968 -3.036 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.522 16.647 -3.111 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.303 16.732 -1.754 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.948 16.530 -1.773 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.165 16.481 -3.402 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.064 16.258 -0.732 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.290 16.211 -2.368 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.742 16.101 -1.046 1.00 0.00 C ATOM 0 H TRP A 33 -4.747 14.662 -4.456 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.155 15.915 -7.103 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.934 17.825 -5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.673 17.606 -5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.762 17.159 -3.318 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.894 16.711 -0.923 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.807 16.562 -4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.410 16.174 0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.239 16.082 -2.582 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.033 15.888 -0.260 1.00 0.00 H new ATOM 509 N CYS A 34 -2.688 14.366 -6.582 1.00 0.00 N ATOM 510 CA CYS A 34 -1.310 14.028 -6.921 1.00 0.00 C ATOM 511 C CYS A 34 -1.261 13.078 -8.113 1.00 0.00 C ATOM 512 O CYS A 34 -1.931 12.045 -8.143 1.00 0.00 O ATOM 513 CB CYS A 34 -0.608 13.395 -5.719 1.00 0.00 C ATOM 514 SG CYS A 34 1.173 13.700 -5.660 1.00 0.00 S ATOM 0 H CYS A 34 -3.280 13.562 -6.374 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.792 14.948 -7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.062 13.777 -4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.781 12.319 -5.736 1.00 0.00 H new ATOM 0 HG CYS A 34 1.677 13.127 -4.607 1.00 0.00 H new ATOM 520 N PRO A 35 -0.450 13.433 -9.120 1.00 0.00 N ATOM 521 CA PRO A 35 -0.295 12.626 -10.334 1.00 0.00 C ATOM 522 C PRO A 35 0.445 11.319 -10.070 1.00 0.00 C ATOM 523 O PRO A 35 0.078 10.270 -10.598 1.00 0.00 O ATOM 524 CB PRO A 35 0.528 13.528 -11.257 1.00 0.00 C ATOM 525 CG PRO A 35 1.276 14.430 -10.338 1.00 0.00 C ATOM 526 CD PRO A 35 0.378 14.650 -9.152 1.00 0.00 C ATOM 0 HA PRO A 35 -1.257 12.329 -10.752 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.207 12.944 -11.878 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.114 14.094 -11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.221 13.980 -10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.515 15.374 -10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.950 14.771 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.230 15.547 -9.270 1.00 0.00 H new ATOM 534 N ALA A 36 1.488 11.390 -9.250 1.00 0.00 N ATOM 535 CA ALA A 36 2.277 10.211 -8.914 1.00 0.00 C ATOM 536 C ALA A 36 1.397 9.106 -8.341 1.00 0.00 C ATOM 537 O ALA A 36 1.605 7.925 -8.622 1.00 0.00 O ATOM 538 CB ALA A 36 3.378 10.576 -7.929 1.00 0.00 C ATOM 0 H ALA A 36 1.806 12.251 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 36 2.734 9.837 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.959 9.686 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.031 11.326 -8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.933 10.978 -7.019 1.00 0.00 H new ATOM 544 N CYS A 37 0.415 9.496 -7.536 1.00 0.00 N ATOM 545 CA CYS A 37 -0.496 8.537 -6.921 1.00 0.00 C ATOM 546 C CYS A 37 -1.322 7.815 -7.981 1.00 0.00 C ATOM 547 O CYS A 37 -1.434 6.590 -7.965 1.00 0.00 O ATOM 548 CB CYS A 37 -1.423 9.245 -5.931 1.00 0.00 C ATOM 549 SG CYS A 37 -3.034 8.449 -5.729 1.00 0.00 S ATOM 0 H CYS A 37 0.229 10.469 -7.294 1.00 0.00 H new ATOM 0 HA CYS A 37 0.101 7.799 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.930 9.295 -4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.576 10.272 -6.264 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.553 8.802 -4.591 1.00 0.00 H new ATOM 555 N GLN A 38 -1.897 8.583 -8.900 1.00 0.00 N ATOM 556 CA GLN A 38 -2.714 8.016 -9.966 1.00 0.00 C ATOM 557 C GLN A 38 -1.973 6.891 -10.681 1.00 0.00 C ATOM 558 O GLN A 38 -2.585 6.050 -11.337 1.00 0.00 O ATOM 559 CB GLN A 38 -3.107 9.102 -10.970 1.00 0.00 C ATOM 560 CG GLN A 38 -3.854 10.268 -10.343 1.00 0.00 C ATOM 561 CD GLN A 38 -3.626 11.572 -11.082 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.215 11.578 -12.242 1.00 0.00 O ATOM 563 NE2 GLN A 38 -3.893 12.687 -10.411 1.00 0.00 N ATOM 0 H GLN A 38 -1.812 9.599 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.617 7.603 -9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.207 9.478 -11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.729 8.659 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.921 10.045 -10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.537 10.382 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.232 12.635 -9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.759 13.595 -10.856 1.00 0.00 H new ATOM 572 N ASN A 39 -0.650 6.883 -10.548 1.00 0.00 N ATOM 573 CA ASN A 39 0.175 5.862 -11.182 1.00 0.00 C ATOM 574 C ASN A 39 0.276 4.620 -10.302 1.00 0.00 C ATOM 575 O ASN A 39 0.281 3.493 -10.798 1.00 0.00 O ATOM 576 CB ASN A 39 1.574 6.413 -11.469 1.00 0.00 C ATOM 577 CG ASN A 39 2.501 5.363 -12.050 1.00 0.00 C ATOM 578 OD1 ASN A 39 2.052 4.389 -12.655 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.802 5.556 -11.869 1.00 0.00 N ATOM 0 H ASN A 39 -0.127 7.572 -10.007 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.298 5.581 -12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.497 7.250 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.004 6.803 -10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.474 4.883 -12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.130 6.378 -11.361 1.00 0.00 H new ATOM 586 N LEU A 40 0.356 4.834 -8.993 1.00 0.00 N ATOM 587 CA LEU A 40 0.455 3.733 -8.043 1.00 0.00 C ATOM 588 C LEU A 40 -0.906 3.081 -7.820 1.00 0.00 C ATOM 589 O LEU A 40 -0.991 1.894 -7.504 1.00 0.00 O ATOM 590 CB LEU A 40 1.019 4.232 -6.711 1.00 0.00 C ATOM 591 CG LEU A 40 1.237 3.168 -5.634 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.439 2.301 -5.976 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.418 3.820 -4.270 1.00 0.00 C ATOM 0 H LEU A 40 0.354 5.760 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 40 1.131 2.986 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.972 4.725 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.343 4.989 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 40 0.354 2.530 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.579 1.550 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.270 1.806 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.330 2.925 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.572 3.049 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.284 4.481 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.528 4.398 -4.022 1.00 0.00 H new ATOM 605 N GLN A 41 -1.966 3.864 -7.989 1.00 0.00 N ATOM 606 CA GLN A 41 -3.323 3.362 -7.808 1.00 0.00 C ATOM 607 C GLN A 41 -3.430 1.909 -8.259 1.00 0.00 C ATOM 608 O GLN A 41 -3.813 1.023 -7.495 1.00 0.00 O ATOM 609 CB GLN A 41 -4.317 4.224 -8.587 1.00 0.00 C ATOM 610 CG GLN A 41 -4.878 5.385 -7.780 1.00 0.00 C ATOM 611 CD GLN A 41 -5.227 4.992 -6.359 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.357 4.594 -6.072 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.258 5.104 -5.458 1.00 0.00 N ATOM 0 H GLN A 41 -1.912 4.848 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.563 3.413 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.826 4.615 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.141 3.597 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.149 6.195 -7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.769 5.770 -8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.336 5.438 -5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.435 4.856 -4.485 1.00 0.00 H new ATOM 622 N PRO A 42 -3.085 1.656 -9.530 1.00 0.00 N ATOM 623 CA PRO A 42 -3.134 0.311 -10.111 1.00 0.00 C ATOM 624 C PRO A 42 -2.064 -0.609 -9.535 1.00 0.00 C ATOM 625 O PRO A 42 -2.342 -1.756 -9.184 1.00 0.00 O ATOM 626 CB PRO A 42 -2.880 0.559 -11.600 1.00 0.00 C ATOM 627 CG PRO A 42 -2.114 1.836 -11.647 1.00 0.00 C ATOM 628 CD PRO A 42 -2.619 2.664 -10.498 1.00 0.00 C ATOM 0 HA PRO A 42 -4.080 -0.189 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.314 -0.259 -12.046 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.816 0.638 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.043 1.653 -11.555 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.269 2.349 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.832 3.291 -10.078 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.426 3.329 -10.806 1.00 0.00 H new ATOM 636 N GLU A 43 -0.840 -0.099 -9.438 1.00 0.00 N ATOM 637 CA GLU A 43 0.272 -0.877 -8.904 1.00 0.00 C ATOM 638 C GLU A 43 -0.086 -1.475 -7.546 1.00 0.00 C ATOM 639 O GLU A 43 0.322 -2.589 -7.220 1.00 0.00 O ATOM 640 CB GLU A 43 1.521 -0.002 -8.776 1.00 0.00 C ATOM 641 CG GLU A 43 2.395 -0.004 -10.018 1.00 0.00 C ATOM 642 CD GLU A 43 1.806 0.818 -11.148 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.862 0.332 -11.805 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.289 1.947 -11.374 1.00 0.00 O ATOM 0 H GLU A 43 -0.593 0.849 -9.722 1.00 0.00 H new ATOM 0 HA GLU A 43 0.479 -1.692 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.216 1.022 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.111 -0.347 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.380 0.387 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.537 -1.030 -10.356 1.00 0.00 H new ATOM 651 N TRP A 44 -0.849 -0.725 -6.759 1.00 0.00 N ATOM 652 CA TRP A 44 -1.261 -1.180 -5.436 1.00 0.00 C ATOM 653 C TRP A 44 -2.279 -2.310 -5.542 1.00 0.00 C ATOM 654 O TRP A 44 -2.105 -3.371 -4.943 1.00 0.00 O ATOM 655 CB TRP A 44 -1.852 -0.018 -4.636 1.00 0.00 C ATOM 656 CG TRP A 44 -1.715 -0.187 -3.153 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.720 -0.160 -2.229 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.503 -0.408 -2.425 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.205 -0.351 -0.969 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.848 -0.506 -1.062 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.840 -0.534 -2.790 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.103 -0.723 -0.068 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.782 -0.749 -1.802 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.410 -0.842 -0.454 1.00 0.00 C ATOM 0 H TRP A 44 -1.195 0.200 -7.014 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.380 -1.558 -4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.360 0.907 -4.936 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.908 0.086 -4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.765 -0.011 -2.455 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.746 -0.374 -0.105 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.137 -0.465 -3.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.181 -0.795 0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.823 -0.847 -2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.170 -1.011 0.295 1.00 0.00 H new ATOM 675 N GLU A 45 -3.341 -2.076 -6.307 1.00 0.00 N ATOM 676 CA GLU A 45 -4.386 -3.076 -6.489 1.00 0.00 C ATOM 677 C GLU A 45 -3.787 -4.424 -6.880 1.00 0.00 C ATOM 678 O GLU A 45 -4.137 -5.459 -6.313 1.00 0.00 O ATOM 679 CB GLU A 45 -5.380 -2.618 -7.559 1.00 0.00 C ATOM 680 CG GLU A 45 -6.416 -1.632 -7.045 1.00 0.00 C ATOM 681 CD GLU A 45 -7.646 -1.565 -7.928 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.235 -2.630 -8.208 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.020 -0.446 -8.339 1.00 0.00 O ATOM 0 H GLU A 45 -3.500 -1.203 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.911 -3.192 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.830 -2.159 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.891 -3.491 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.713 -1.916 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.967 -0.641 -6.978 1.00 0.00 H new ATOM 690 N SER A 46 -2.883 -4.403 -7.854 1.00 0.00 N ATOM 691 CA SER A 46 -2.238 -5.623 -8.324 1.00 0.00 C ATOM 692 C SER A 46 -1.392 -6.251 -7.220 1.00 0.00 C ATOM 693 O SER A 46 -1.162 -7.461 -7.211 1.00 0.00 O ATOM 694 CB SER A 46 -1.364 -5.326 -9.545 1.00 0.00 C ATOM 695 OG SER A 46 -2.157 -5.096 -10.696 1.00 0.00 O ATOM 0 H SER A 46 -2.581 -3.555 -8.333 1.00 0.00 H new ATOM 0 HA SER A 46 -3.018 -6.330 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.742 -4.453 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.690 -6.163 -9.726 1.00 0.00 H new ATOM 0 HG SER A 46 -1.575 -4.907 -11.462 1.00 0.00 H new ATOM 701 N PHE A 47 -0.932 -5.420 -6.291 1.00 0.00 N ATOM 702 CA PHE A 47 -0.111 -5.893 -5.182 1.00 0.00 C ATOM 703 C PHE A 47 -0.969 -6.585 -4.126 1.00 0.00 C ATOM 704 O PHE A 47 -0.747 -7.749 -3.797 1.00 0.00 O ATOM 705 CB PHE A 47 0.651 -4.726 -4.551 1.00 0.00 C ATOM 706 CG PHE A 47 0.974 -4.936 -3.099 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.267 -6.201 -2.617 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.983 -3.868 -2.216 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.565 -6.398 -1.282 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.281 -4.058 -0.880 1.00 0.00 C ATOM 711 CZ PHE A 47 1.571 -5.325 -0.412 1.00 0.00 C ATOM 0 H PHE A 47 -1.113 -4.416 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 47 0.604 -6.616 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.578 -4.568 -5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.059 -3.817 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.263 -7.044 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.754 -2.876 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.793 -7.389 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.287 -3.217 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.802 -5.476 0.632 1.00 0.00 H new ATOM 721 N ALA A 48 -1.950 -5.858 -3.600 1.00 0.00 N ATOM 722 CA ALA A 48 -2.842 -6.402 -2.583 1.00 0.00 C ATOM 723 C ALA A 48 -3.344 -7.786 -2.977 1.00 0.00 C ATOM 724 O ALA A 48 -3.754 -8.573 -2.124 1.00 0.00 O ATOM 725 CB ALA A 48 -4.013 -5.459 -2.351 1.00 0.00 C ATOM 0 H ALA A 48 -2.147 -4.892 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.279 -6.500 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.671 -5.877 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.640 -4.491 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.568 -5.332 -3.281 1.00 0.00 H new ATOM 731 N GLU A 49 -3.310 -8.077 -4.274 1.00 0.00 N ATOM 732 CA GLU A 49 -3.764 -9.367 -4.780 1.00 0.00 C ATOM 733 C GLU A 49 -3.065 -10.512 -4.053 1.00 0.00 C ATOM 734 O GLU A 49 -3.712 -11.345 -3.419 1.00 0.00 O ATOM 735 CB GLU A 49 -3.506 -9.470 -6.284 1.00 0.00 C ATOM 736 CG GLU A 49 -4.234 -8.414 -7.100 1.00 0.00 C ATOM 737 CD GLU A 49 -4.364 -8.794 -8.562 1.00 0.00 C ATOM 738 OE1 GLU A 49 -4.477 -10.002 -8.854 1.00 0.00 O ATOM 739 OE2 GLU A 49 -4.353 -7.881 -9.415 1.00 0.00 O ATOM 0 H GLU A 49 -2.973 -7.437 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.836 -9.443 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.435 -9.384 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.810 -10.458 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.227 -8.256 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.700 -7.467 -7.021 1.00 0.00 H new ATOM 746 N TRP A 50 -1.741 -10.547 -4.152 1.00 0.00 N ATOM 747 CA TRP A 50 -0.953 -11.590 -3.505 1.00 0.00 C ATOM 748 C TRP A 50 -0.560 -11.178 -2.091 1.00 0.00 C ATOM 749 O TRP A 50 0.095 -11.932 -1.374 1.00 0.00 O ATOM 750 CB TRP A 50 0.299 -11.896 -4.328 1.00 0.00 C ATOM 751 CG TRP A 50 1.078 -10.671 -4.702 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.138 -10.083 -5.934 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.907 -9.886 -3.839 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.956 -8.979 -5.888 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.439 -8.836 -4.614 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.251 -9.966 -2.487 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.296 -7.878 -4.080 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.102 -9.014 -1.959 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.616 -7.980 -2.754 1.00 0.00 C ATOM 0 H TRP A 50 -1.190 -9.865 -4.674 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.567 -12.489 -3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.943 -12.568 -3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.008 -12.424 -5.236 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.619 -10.434 -6.814 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.169 -8.366 -6.675 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.859 -10.758 -1.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.694 -7.082 -4.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.376 -9.067 -0.916 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.277 -7.250 -2.311 1.00 0.00 H new ATOM 770 N GLY A 51 -0.964 -9.974 -1.696 1.00 0.00 N ATOM 771 CA GLY A 51 -0.644 -9.483 -0.369 1.00 0.00 C ATOM 772 C GLY A 51 -0.981 -10.485 0.717 1.00 0.00 C ATOM 773 O GLY A 51 -0.088 -11.068 1.330 1.00 0.00 O ATOM 0 H GLY A 51 -1.507 -9.330 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.418 -9.243 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.189 -8.557 -0.186 1.00 0.00 H new ATOM 777 N GLU A 52 -2.273 -10.684 0.956 1.00 0.00 N ATOM 778 CA GLU A 52 -2.725 -11.621 1.978 1.00 0.00 C ATOM 779 C GLU A 52 -2.129 -13.007 1.747 1.00 0.00 C ATOM 780 O GLU A 52 -1.943 -13.779 2.688 1.00 0.00 O ATOM 781 CB GLU A 52 -4.253 -11.706 1.985 1.00 0.00 C ATOM 782 CG GLU A 52 -4.818 -12.591 0.886 1.00 0.00 C ATOM 783 CD GLU A 52 -4.898 -14.049 1.295 1.00 0.00 C ATOM 784 OE1 GLU A 52 -4.868 -14.327 2.512 1.00 0.00 O ATOM 785 OE2 GLU A 52 -4.991 -14.912 0.397 1.00 0.00 O ATOM 0 H GLU A 52 -3.025 -10.209 0.456 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.385 -11.254 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.583 -12.086 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.665 -10.702 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.813 -12.238 0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.195 -12.501 -0.004 1.00 0.00 H new ATOM 792 N ASP A 53 -1.832 -13.314 0.490 1.00 0.00 N ATOM 793 CA ASP A 53 -1.256 -14.606 0.134 1.00 0.00 C ATOM 794 C ASP A 53 0.096 -14.804 0.813 1.00 0.00 C ATOM 795 O ASP A 53 0.449 -15.918 1.203 1.00 0.00 O ATOM 796 CB ASP A 53 -1.100 -14.718 -1.384 1.00 0.00 C ATOM 797 CG ASP A 53 -2.261 -15.447 -2.032 1.00 0.00 C ATOM 798 OD1 ASP A 53 -3.355 -14.852 -2.128 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.075 -16.611 -2.444 1.00 0.00 O ATOM 0 H ASP A 53 -1.980 -12.686 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.934 -15.386 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.017 -13.719 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.172 -15.242 -1.614 1.00 0.00 H new ATOM 804 N LEU A 54 0.848 -13.718 0.950 1.00 0.00 N ATOM 805 CA LEU A 54 2.162 -13.772 1.581 1.00 0.00 C ATOM 806 C LEU A 54 2.061 -13.487 3.076 1.00 0.00 C ATOM 807 O LEU A 54 3.069 -13.258 3.743 1.00 0.00 O ATOM 808 CB LEU A 54 3.108 -12.766 0.921 1.00 0.00 C ATOM 809 CG LEU A 54 3.274 -12.894 -0.593 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.170 -11.788 -1.127 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.837 -14.261 -0.954 1.00 0.00 C ATOM 0 H LEU A 54 0.571 -12.789 0.633 1.00 0.00 H new ATOM 0 HA LEU A 54 2.560 -14.778 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.750 -11.761 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.090 -12.864 1.384 1.00 0.00 H new ATOM 0 HG LEU A 54 2.293 -12.794 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.277 -11.895 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.726 -10.819 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.151 -11.856 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.949 -14.334 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.810 -14.391 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.157 -15.038 -0.606 1.00 0.00 H new ATOM 823 N GLU A 55 0.837 -13.505 3.595 1.00 0.00 N ATOM 824 CA GLU A 55 0.605 -13.250 5.011 1.00 0.00 C ATOM 825 C GLU A 55 0.913 -11.797 5.360 1.00 0.00 C ATOM 826 O GLU A 55 1.710 -11.517 6.255 1.00 0.00 O ATOM 827 CB GLU A 55 1.462 -14.185 5.868 1.00 0.00 C ATOM 828 CG GLU A 55 0.841 -14.519 7.213 1.00 0.00 C ATOM 829 CD GLU A 55 -0.376 -15.415 7.087 1.00 0.00 C ATOM 830 OE1 GLU A 55 -0.397 -16.262 6.169 1.00 0.00 O ATOM 831 OE2 GLU A 55 -1.307 -15.270 7.906 1.00 0.00 O ATOM 0 H GLU A 55 -0.008 -13.693 3.056 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.448 -13.440 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.636 -15.110 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.436 -13.723 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.585 -15.009 7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.557 -13.595 7.717 1.00 0.00 H new ATOM 838 N VAL A 56 0.274 -10.875 4.646 1.00 0.00 N ATOM 839 CA VAL A 56 0.479 -9.451 4.879 1.00 0.00 C ATOM 840 C VAL A 56 -0.786 -8.657 4.570 1.00 0.00 C ATOM 841 O VAL A 56 -1.407 -8.842 3.525 1.00 0.00 O ATOM 842 CB VAL A 56 1.637 -8.903 4.025 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.133 -8.463 2.659 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.330 -7.753 4.742 1.00 0.00 C ATOM 0 H VAL A 56 -0.390 -11.089 3.902 1.00 0.00 H new ATOM 0 HA VAL A 56 0.730 -9.335 5.933 1.00 0.00 H new ATOM 0 HB VAL A 56 2.365 -9.701 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.966 -8.079 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.687 -9.314 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.384 -7.680 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.146 -7.378 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.613 -6.952 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.728 -8.105 5.694 1.00 0.00 H new ATOM 854 N ASN A 57 -1.160 -7.771 5.488 1.00 0.00 N ATOM 855 CA ASN A 57 -2.351 -6.947 5.314 1.00 0.00 C ATOM 856 C ASN A 57 -2.001 -5.615 4.657 1.00 0.00 C ATOM 857 O ASN A 57 -1.048 -4.946 5.059 1.00 0.00 O ATOM 858 CB ASN A 57 -3.028 -6.701 6.664 1.00 0.00 C ATOM 859 CG ASN A 57 -3.297 -7.988 7.419 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.163 -8.775 7.038 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.553 -8.208 8.497 1.00 0.00 N ATOM 0 H ASN A 57 -0.656 -7.605 6.359 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.041 -7.483 4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.397 -6.052 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.968 -6.173 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.688 -9.057 9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.846 -7.528 8.776 1.00 0.00 H new ATOM 868 N ILE A 58 -2.776 -5.238 3.647 1.00 0.00 N ATOM 869 CA ILE A 58 -2.549 -3.986 2.936 1.00 0.00 C ATOM 870 C ILE A 58 -3.680 -2.995 3.192 1.00 0.00 C ATOM 871 O ILE A 58 -4.848 -3.375 3.254 1.00 0.00 O ATOM 872 CB ILE A 58 -2.416 -4.215 1.419 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.323 -5.246 1.131 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.115 -2.904 0.709 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.804 -6.678 1.217 1.00 0.00 C ATOM 0 H ILE A 58 -3.567 -5.782 3.302 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.614 -3.573 3.316 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.363 -4.601 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.919 -5.066 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.505 -5.103 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.024 -3.083 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.925 -2.197 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.180 -2.491 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.976 -7.353 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.181 -6.875 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.602 -6.838 0.491 1.00 0.00 H new ATOM 887 N ALA A 59 -3.323 -1.723 3.338 1.00 0.00 N ATOM 888 CA ALA A 59 -4.308 -0.677 3.583 1.00 0.00 C ATOM 889 C ALA A 59 -3.887 0.636 2.933 1.00 0.00 C ATOM 890 O ALA A 59 -2.727 0.813 2.560 1.00 0.00 O ATOM 891 CB ALA A 59 -4.513 -0.485 5.079 1.00 0.00 C ATOM 0 H ALA A 59 -2.359 -1.392 3.291 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.251 -0.988 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.251 0.299 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.866 -1.417 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.568 -0.200 5.542 1.00 0.00 H new ATOM 897 N LYS A 60 -4.837 1.555 2.798 1.00 0.00 N ATOM 898 CA LYS A 60 -4.566 2.854 2.192 1.00 0.00 C ATOM 899 C LYS A 60 -5.095 3.984 3.069 1.00 0.00 C ATOM 900 O LYS A 60 -6.127 3.844 3.724 1.00 0.00 O ATOM 901 CB LYS A 60 -5.200 2.933 0.802 1.00 0.00 C ATOM 902 CG LYS A 60 -6.702 3.159 0.830 1.00 0.00 C ATOM 903 CD LYS A 60 -7.304 3.080 -0.563 1.00 0.00 C ATOM 904 CE LYS A 60 -8.808 2.862 -0.508 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.405 2.771 -1.870 1.00 0.00 N ATOM 0 H LYS A 60 -5.802 1.424 3.100 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.486 2.966 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.730 3.742 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.990 2.009 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.171 2.414 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.916 4.135 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.088 4.000 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.837 2.265 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.023 1.947 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.274 3.682 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.431 2.622 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.222 3.654 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.979 1.973 -2.383 1.00 0.00 H new ATOM 919 N VAL A 61 -4.381 5.106 3.075 1.00 0.00 N ATOM 920 CA VAL A 61 -4.780 6.261 3.870 1.00 0.00 C ATOM 921 C VAL A 61 -4.962 7.495 2.992 1.00 0.00 C ATOM 922 O VAL A 61 -4.250 7.678 2.005 1.00 0.00 O ATOM 923 CB VAL A 61 -3.745 6.573 4.966 1.00 0.00 C ATOM 924 CG1 VAL A 61 -4.010 7.941 5.578 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.758 5.491 6.035 1.00 0.00 C ATOM 0 H VAL A 61 -3.524 5.239 2.538 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.730 6.009 4.340 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.755 6.591 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.268 8.144 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.945 8.705 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.007 7.955 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.020 5.728 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.748 5.439 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.515 4.530 5.583 1.00 0.00 H new ATOM 935 N ASP A 62 -5.921 8.338 3.359 1.00 0.00 N ATOM 936 CA ASP A 62 -6.196 9.557 2.606 1.00 0.00 C ATOM 937 C ASP A 62 -5.720 10.787 3.371 1.00 0.00 C ATOM 938 O ASP A 62 -6.106 11.005 4.520 1.00 0.00 O ATOM 939 CB ASP A 62 -7.693 9.672 2.311 1.00 0.00 C ATOM 940 CG ASP A 62 -8.549 9.155 3.451 1.00 0.00 C ATOM 941 OD1 ASP A 62 -8.087 9.205 4.610 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.681 8.702 3.184 1.00 0.00 O ATOM 0 H ASP A 62 -6.521 8.200 4.173 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.651 9.504 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.943 10.715 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.926 9.114 1.404 1.00 0.00 H new ATOM 947 N VAL A 63 -4.878 11.589 2.727 1.00 0.00 N ATOM 948 CA VAL A 63 -4.348 12.798 3.346 1.00 0.00 C ATOM 949 C VAL A 63 -5.296 13.976 3.151 1.00 0.00 C ATOM 950 O VAL A 63 -4.876 15.134 3.154 1.00 0.00 O ATOM 951 CB VAL A 63 -2.967 13.165 2.771 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.978 12.031 2.994 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.079 13.503 1.292 1.00 0.00 C ATOM 0 H VAL A 63 -4.548 11.423 1.776 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.246 12.589 4.411 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.597 14.046 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.008 12.308 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.877 11.841 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.339 11.130 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.094 13.760 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.470 12.642 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.753 14.350 1.162 1.00 0.00 H new ATOM 963 N THR A 64 -6.580 13.674 2.983 1.00 0.00 N ATOM 964 CA THR A 64 -7.589 14.707 2.786 1.00 0.00 C ATOM 965 C THR A 64 -8.750 14.534 3.759 1.00 0.00 C ATOM 966 O THR A 64 -9.390 15.508 4.154 1.00 0.00 O ATOM 967 CB THR A 64 -8.135 14.691 1.346 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.889 13.495 1.120 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.001 14.780 0.336 1.00 0.00 C ATOM 0 H THR A 64 -6.945 12.722 2.980 1.00 0.00 H new ATOM 0 HA THR A 64 -7.102 15.664 2.972 1.00 0.00 H new ATOM 0 HB THR A 64 -8.783 15.558 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.234 13.494 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.411 14.767 -0.674 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.448 15.706 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.330 13.931 0.466 1.00 0.00 H new ATOM 977 N GLU A 65 -9.015 13.289 4.143 1.00 0.00 N ATOM 978 CA GLU A 65 -10.099 12.991 5.070 1.00 0.00 C ATOM 979 C GLU A 65 -9.557 12.705 6.468 1.00 0.00 C ATOM 980 O GLU A 65 -10.242 12.925 7.467 1.00 0.00 O ATOM 981 CB GLU A 65 -10.911 11.793 4.572 1.00 0.00 C ATOM 982 CG GLU A 65 -11.733 12.090 3.329 1.00 0.00 C ATOM 983 CD GLU A 65 -12.818 13.120 3.578 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.477 14.309 3.748 1.00 0.00 O ATOM 985 OE2 GLU A 65 -14.006 12.737 3.604 1.00 0.00 O ATOM 0 H GLU A 65 -8.494 12.471 3.826 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.748 13.865 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.232 10.967 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.578 11.461 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.073 12.447 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.189 11.167 2.971 1.00 0.00 H new ATOM 992 N GLN A 66 -8.323 12.214 6.528 1.00 0.00 N ATOM 993 CA GLN A 66 -7.690 11.897 7.803 1.00 0.00 C ATOM 994 C GLN A 66 -6.550 12.867 8.100 1.00 0.00 C ATOM 995 O GLN A 66 -5.379 12.582 7.848 1.00 0.00 O ATOM 996 CB GLN A 66 -7.164 10.461 7.792 1.00 0.00 C ATOM 997 CG GLN A 66 -8.260 9.412 7.695 1.00 0.00 C ATOM 998 CD GLN A 66 -9.348 9.608 8.732 1.00 0.00 C ATOM 999 OE1 GLN A 66 -9.135 10.256 9.757 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.523 9.047 8.470 1.00 0.00 N ATOM 0 H GLN A 66 -7.743 12.027 5.710 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.440 11.995 8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.481 10.340 6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.586 10.288 8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.702 9.445 6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.822 8.421 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.655 8.519 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.294 9.145 9.131 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.899 14.040 8.648 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.919 15.076 8.991 1.00 0.00 C ATOM 1011 C PRO A 67 -5.041 14.674 10.171 1.00 0.00 C ATOM 1012 O PRO A 67 -4.150 15.420 10.577 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.790 16.280 9.358 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.085 15.691 9.798 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.276 14.447 8.975 1.00 0.00 C ATOM 0 HA PRO A 67 -5.225 15.268 8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.334 16.871 10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.927 16.944 8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.065 15.455 10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.905 16.392 9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.802 13.673 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.861 14.645 8.077 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.297 13.490 10.718 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.521 13.010 11.846 1.00 0.00 C ATOM 1025 C GLY A 68 -3.422 12.052 11.429 1.00 0.00 C ATOM 1026 O GLY A 68 -2.254 12.253 11.762 1.00 0.00 O ATOM 0 H GLY A 68 -6.028 12.854 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.080 13.860 12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.184 12.512 12.553 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.796 11.007 10.699 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.834 10.013 10.237 1.00 0.00 C ATOM 1032 C LEU A 69 -1.772 10.655 9.350 1.00 0.00 C ATOM 1033 O LEU A 69 -0.639 10.180 9.278 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.550 8.900 9.470 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.426 7.966 10.305 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.309 7.116 9.404 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.566 7.084 11.198 1.00 0.00 C ATOM 0 H LEU A 69 -4.759 10.826 10.414 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.342 9.586 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.172 9.358 8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.799 8.299 8.957 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.069 8.574 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.926 6.457 10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.951 7.764 8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.684 6.517 8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.207 6.426 11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.897 6.484 10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.977 7.710 11.869 1.00 0.00 H new ATOM 1049 N SER A 70 -2.145 11.740 8.679 1.00 0.00 N ATOM 1050 CA SER A 70 -1.225 12.447 7.795 1.00 0.00 C ATOM 1051 C SER A 70 0.000 12.933 8.564 1.00 0.00 C ATOM 1052 O SER A 70 1.121 12.495 8.310 1.00 0.00 O ATOM 1053 CB SER A 70 -1.929 13.632 7.133 1.00 0.00 C ATOM 1054 OG SER A 70 -0.996 14.494 6.504 1.00 0.00 O ATOM 0 H SER A 70 -3.078 12.149 8.731 1.00 0.00 H new ATOM 0 HA SER A 70 -0.896 11.752 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.646 13.268 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.495 14.187 7.881 1.00 0.00 H new ATOM 0 HG SER A 70 -1.472 15.242 6.087 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.224 13.844 9.507 1.00 0.00 N ATOM 1061 CA GLY A 71 0.870 14.376 10.299 1.00 0.00 C ATOM 1062 C GLY A 71 1.448 13.349 11.252 1.00 0.00 C ATOM 1063 O GLY A 71 2.644 13.367 11.543 1.00 0.00 O ATOM 0 H GLY A 71 -1.143 14.223 9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.656 14.733 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.518 15.237 10.867 1.00 0.00 H new ATOM 1067 N ARG A 72 0.597 12.453 11.742 1.00 0.00 N ATOM 1068 CA ARG A 72 1.030 11.416 12.671 1.00 0.00 C ATOM 1069 C ARG A 72 2.263 10.690 12.139 1.00 0.00 C ATOM 1070 O ARG A 72 3.274 10.572 12.831 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.100 10.415 12.913 1.00 0.00 C ATOM 1072 CG ARG A 72 -1.028 10.807 14.051 1.00 0.00 C ATOM 1073 CD ARG A 72 -2.266 9.924 14.091 1.00 0.00 C ATOM 1074 NE ARG A 72 -3.074 10.168 15.282 1.00 0.00 N ATOM 1075 CZ ARG A 72 -4.365 9.868 15.368 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -4.991 9.315 14.338 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -5.033 10.121 16.486 1.00 0.00 N ATOM 0 H ARG A 72 -0.396 12.424 11.511 1.00 0.00 H new ATOM 0 HA ARG A 72 1.291 11.894 13.615 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.684 10.311 11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.332 9.438 13.128 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.495 10.731 14.999 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.327 11.849 13.936 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.869 10.104 13.201 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.965 8.877 14.065 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.623 10.592 16.092 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.481 9.119 13.477 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.982 9.086 14.407 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.555 10.546 17.280 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.024 9.890 16.551 1.00 0.00 H new ATOM 1091 N PHE A 73 2.170 10.205 10.905 1.00 0.00 N ATOM 1092 CA PHE A 73 3.277 9.489 10.281 1.00 0.00 C ATOM 1093 C PHE A 73 4.272 10.463 9.656 1.00 0.00 C ATOM 1094 O PHE A 73 4.868 10.177 8.618 1.00 0.00 O ATOM 1095 CB PHE A 73 2.751 8.526 9.214 1.00 0.00 C ATOM 1096 CG PHE A 73 2.163 7.266 9.782 1.00 0.00 C ATOM 1097 CD1 PHE A 73 0.927 7.284 10.408 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.845 6.064 9.690 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.384 6.126 10.933 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.307 4.903 10.212 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.074 4.934 10.833 1.00 0.00 C ATOM 0 H PHE A 73 1.341 10.295 10.318 1.00 0.00 H new ATOM 0 HA PHE A 73 3.791 8.919 11.055 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.993 9.035 8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.565 8.265 8.538 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.382 8.213 10.487 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.809 6.034 9.204 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.579 6.154 11.421 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.850 3.973 10.134 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.650 4.028 11.240 1.00 0.00 H new ATOM 1111 N ILE A 74 4.444 11.615 10.297 1.00 0.00 N ATOM 1112 CA ILE A 74 5.366 12.631 9.805 1.00 0.00 C ATOM 1113 C ILE A 74 5.431 12.624 8.281 1.00 0.00 C ATOM 1114 O ILE A 74 6.514 12.596 7.696 1.00 0.00 O ATOM 1115 CB ILE A 74 6.785 12.424 10.368 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.261 10.995 10.097 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.811 12.722 11.860 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.645 9.967 11.020 1.00 0.00 C ATOM 0 H ILE A 74 3.957 11.867 11.157 1.00 0.00 H new ATOM 0 HA ILE A 74 4.985 13.594 10.146 1.00 0.00 H new ATOM 0 HB ILE A 74 7.463 13.115 9.867 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.026 10.732 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.346 10.957 10.197 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.820 12.571 12.244 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.509 13.755 12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.123 12.053 12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.028 8.978 10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.901 10.205 12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.561 9.977 10.904 1.00 0.00 H new ATOM 1130 N ILE A 75 4.265 12.650 7.645 1.00 0.00 N ATOM 1131 CA ILE A 75 4.189 12.650 6.190 1.00 0.00 C ATOM 1132 C ILE A 75 4.613 13.998 5.617 1.00 0.00 C ATOM 1133 O ILE A 75 3.891 14.988 5.732 1.00 0.00 O ATOM 1134 CB ILE A 75 2.766 12.322 5.700 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.331 10.948 6.214 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.705 12.369 4.181 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.230 9.820 5.759 1.00 0.00 C ATOM 0 H ILE A 75 3.360 12.671 8.115 1.00 0.00 H new ATOM 0 HA ILE A 75 4.873 11.877 5.839 1.00 0.00 H new ATOM 0 HB ILE A 75 2.080 13.071 6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.309 10.967 7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.313 10.749 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.693 12.135 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.978 13.367 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.400 11.639 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.861 8.876 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.233 9.774 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.244 9.996 6.118 1.00 0.00 H new ATOM 1149 N ASN A 76 5.789 14.028 4.997 1.00 0.00 N ATOM 1150 CA ASN A 76 6.309 15.255 4.405 1.00 0.00 C ATOM 1151 C ASN A 76 5.993 15.315 2.913 1.00 0.00 C ATOM 1152 O ASN A 76 5.521 16.334 2.409 1.00 0.00 O ATOM 1153 CB ASN A 76 7.821 15.349 4.621 1.00 0.00 C ATOM 1154 CG ASN A 76 8.176 15.864 6.003 1.00 0.00 C ATOM 1155 OD1 ASN A 76 7.971 17.038 6.311 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.712 14.985 6.842 1.00 0.00 N ATOM 0 H ASN A 76 6.399 13.217 4.892 1.00 0.00 H new ATOM 0 HA ASN A 76 5.825 16.099 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.268 14.365 4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.253 16.009 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.972 15.273 7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.864 14.022 6.543 1.00 0.00 H new ATOM 1163 N ALA A 77 6.256 14.216 2.213 1.00 0.00 N ATOM 1164 CA ALA A 77 5.998 14.143 0.781 1.00 0.00 C ATOM 1165 C ALA A 77 5.091 12.963 0.446 1.00 0.00 C ATOM 1166 O ALA A 77 4.866 12.084 1.279 1.00 0.00 O ATOM 1167 CB ALA A 77 7.307 14.039 0.013 1.00 0.00 C ATOM 0 H ALA A 77 6.648 13.364 2.615 1.00 0.00 H new ATOM 0 HA ALA A 77 5.486 15.058 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.099 13.985 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.921 14.916 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.841 13.141 0.324 1.00 0.00 H new ATOM 1173 N LEU A 78 4.572 12.950 -0.777 1.00 0.00 N ATOM 1174 CA LEU A 78 3.689 11.878 -1.221 1.00 0.00 C ATOM 1175 C LEU A 78 3.911 11.566 -2.698 1.00 0.00 C ATOM 1176 O LEU A 78 4.308 12.425 -3.486 1.00 0.00 O ATOM 1177 CB LEU A 78 2.227 12.263 -0.984 1.00 0.00 C ATOM 1178 CG LEU A 78 1.851 12.613 0.456 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.717 13.627 0.480 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.463 11.359 1.225 1.00 0.00 C ATOM 0 H LEU A 78 4.748 13.670 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 78 3.922 10.985 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.989 13.117 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.597 11.437 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 78 2.720 13.058 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.463 13.864 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.030 14.535 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.156 13.209 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.198 11.627 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.609 10.885 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.304 10.665 1.237 1.00 0.00 H new ATOM 1192 N PRO A 79 3.648 10.309 -3.083 1.00 0.00 N ATOM 1193 CA PRO A 79 3.176 9.278 -2.154 1.00 0.00 C ATOM 1194 C PRO A 79 4.254 8.853 -1.163 1.00 0.00 C ATOM 1195 O PRO A 79 5.420 9.224 -1.301 1.00 0.00 O ATOM 1196 CB PRO A 79 2.806 8.113 -3.075 1.00 0.00 C ATOM 1197 CG PRO A 79 3.645 8.309 -4.290 1.00 0.00 C ATOM 1198 CD PRO A 79 3.792 9.796 -4.456 1.00 0.00 C ATOM 0 HA PRO A 79 2.349 9.632 -1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.013 7.153 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.744 8.125 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.618 7.831 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.174 7.863 -5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.760 10.059 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.029 10.204 -5.119 1.00 0.00 H new ATOM 1206 N THR A 80 3.858 8.070 -0.164 1.00 0.00 N ATOM 1207 CA THR A 80 4.790 7.595 0.850 1.00 0.00 C ATOM 1208 C THR A 80 4.296 6.302 1.488 1.00 0.00 C ATOM 1209 O THR A 80 3.218 6.264 2.081 1.00 0.00 O ATOM 1210 CB THR A 80 5.006 8.648 1.953 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.656 9.802 1.408 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.842 8.079 3.089 1.00 0.00 C ATOM 0 H THR A 80 2.897 7.752 -0.036 1.00 0.00 H new ATOM 0 HA THR A 80 5.738 7.409 0.345 1.00 0.00 H new ATOM 0 HB THR A 80 4.031 8.933 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.185 10.611 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.981 8.841 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.331 7.219 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.814 7.769 2.705 1.00 0.00 H new ATOM 1220 N ILE A 81 5.091 5.244 1.363 1.00 0.00 N ATOM 1221 CA ILE A 81 4.735 3.950 1.930 1.00 0.00 C ATOM 1222 C ILE A 81 5.443 3.718 3.260 1.00 0.00 C ATOM 1223 O ILE A 81 6.581 4.146 3.452 1.00 0.00 O ATOM 1224 CB ILE A 81 5.084 2.799 0.968 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.161 2.827 -0.253 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.982 1.460 1.684 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.780 2.220 -1.492 1.00 0.00 C ATOM 0 H ILE A 81 5.986 5.258 0.874 1.00 0.00 H new ATOM 0 HA ILE A 81 3.657 3.963 2.093 1.00 0.00 H new ATOM 0 HB ILE A 81 6.111 2.930 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.242 2.291 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.883 3.859 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.232 0.657 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.676 1.443 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.965 1.320 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.070 2.274 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.684 2.770 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.033 1.178 -1.299 1.00 0.00 H new ATOM 1239 N TYR A 82 4.762 3.037 4.175 1.00 0.00 N ATOM 1240 CA TYR A 82 5.326 2.748 5.489 1.00 0.00 C ATOM 1241 C TYR A 82 4.984 1.327 5.928 1.00 0.00 C ATOM 1242 O TYR A 82 3.817 0.934 5.945 1.00 0.00 O ATOM 1243 CB TYR A 82 4.808 3.751 6.521 1.00 0.00 C ATOM 1244 CG TYR A 82 5.686 4.973 6.670 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.953 4.879 7.233 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.249 6.223 6.247 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.757 5.993 7.372 1.00 0.00 C ATOM 1248 CE2 TYR A 82 6.047 7.342 6.381 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.301 7.222 6.944 1.00 0.00 C ATOM 1250 OH TYR A 82 8.100 8.334 7.080 1.00 0.00 O ATOM 0 H TYR A 82 3.819 2.675 4.031 1.00 0.00 H new ATOM 0 HA TYR A 82 6.410 2.836 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.805 4.067 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.723 3.254 7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.315 3.918 7.568 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.268 6.321 5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.738 5.902 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.692 8.306 6.047 1.00 0.00 H new ATOM 0 HH TYR A 82 7.631 9.119 6.728 1.00 0.00 H new ATOM 1260 N HIS A 83 6.010 0.562 6.284 1.00 0.00 N ATOM 1261 CA HIS A 83 5.820 -0.816 6.725 1.00 0.00 C ATOM 1262 C HIS A 83 5.825 -0.904 8.248 1.00 0.00 C ATOM 1263 O HIS A 83 6.804 -0.533 8.898 1.00 0.00 O ATOM 1264 CB HIS A 83 6.913 -1.715 6.147 1.00 0.00 C ATOM 1265 CG HIS A 83 6.725 -3.166 6.464 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.482 -3.836 7.401 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.857 -4.076 5.963 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.090 -5.096 7.461 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.104 -5.268 6.599 1.00 0.00 N ATOM 0 H HIS A 83 6.982 0.872 6.276 1.00 0.00 H new ATOM 0 HA HIS A 83 4.851 -1.157 6.362 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.941 -1.589 5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.880 -1.390 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.109 -3.898 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.505 -5.857 8.106 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.607 -6.143 6.433 1.00 0.00 H new ATOM 1278 N CYS A 84 4.727 -1.395 8.812 1.00 0.00 N ATOM 1279 CA CYS A 84 4.605 -1.531 10.259 1.00 0.00 C ATOM 1280 C CYS A 84 4.732 -2.991 10.681 1.00 0.00 C ATOM 1281 O CYS A 84 3.953 -3.842 10.253 1.00 0.00 O ATOM 1282 CB CYS A 84 3.266 -0.964 10.734 1.00 0.00 C ATOM 1283 SG CYS A 84 3.256 -0.447 12.466 1.00 0.00 S ATOM 0 H CYS A 84 3.908 -1.706 8.289 1.00 0.00 H new ATOM 0 HA CYS A 84 5.415 -0.967 10.722 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.003 -0.110 10.110 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.492 -1.717 10.586 1.00 0.00 H new ATOM 0 HG CYS A 84 3.487 0.830 12.539 1.00 0.00 H new ATOM 1289 N LYS A 85 5.720 -3.274 11.523 1.00 0.00 N ATOM 1290 CA LYS A 85 5.951 -4.631 12.004 1.00 0.00 C ATOM 1291 C LYS A 85 6.035 -4.662 13.526 1.00 0.00 C ATOM 1292 O LYS A 85 7.009 -4.190 14.113 1.00 0.00 O ATOM 1293 CB LYS A 85 7.238 -5.197 11.399 1.00 0.00 C ATOM 1294 CG LYS A 85 7.442 -6.676 11.677 1.00 0.00 C ATOM 1295 CD LYS A 85 8.446 -7.291 10.717 1.00 0.00 C ATOM 1296 CE LYS A 85 8.641 -8.774 10.989 1.00 0.00 C ATOM 1297 NZ LYS A 85 7.369 -9.536 10.847 1.00 0.00 N ATOM 0 H LYS A 85 6.374 -2.581 11.887 1.00 0.00 H new ATOM 0 HA LYS A 85 5.109 -5.248 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.223 -5.037 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.089 -4.641 11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.788 -6.810 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.489 -7.198 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.104 -7.150 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.402 -6.775 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.384 -9.175 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.035 -8.910 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.529 -10.370 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.042 -9.843 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.647 -8.928 10.410 1.00 0.00 H new ATOM 1311 N ASP A 86 5.010 -5.221 14.160 1.00 0.00 N ATOM 1312 CA ASP A 86 4.970 -5.315 15.615 1.00 0.00 C ATOM 1313 C ASP A 86 5.247 -3.959 16.255 1.00 0.00 C ATOM 1314 O ASP A 86 5.998 -3.860 17.225 1.00 0.00 O ATOM 1315 CB ASP A 86 5.989 -6.344 16.109 1.00 0.00 C ATOM 1316 CG ASP A 86 5.565 -7.002 17.407 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.747 -6.403 18.136 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.051 -8.116 17.694 1.00 0.00 O ATOM 0 H ASP A 86 4.196 -5.616 13.689 1.00 0.00 H new ATOM 0 HA ASP A 86 3.970 -5.636 15.906 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.127 -7.109 15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.954 -5.857 16.250 1.00 0.00 H new ATOM 1323 N GLY A 87 4.635 -2.914 15.705 1.00 0.00 N ATOM 1324 CA GLY A 87 4.828 -1.577 16.235 1.00 0.00 C ATOM 1325 C GLY A 87 5.904 -0.810 15.492 1.00 0.00 C ATOM 1326 O GLY A 87 5.731 0.368 15.181 1.00 0.00 O ATOM 0 H GLY A 87 4.009 -2.970 14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.889 -1.027 16.177 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.095 -1.642 17.290 1.00 0.00 H new ATOM 1330 N GLU A 88 7.018 -1.478 15.209 1.00 0.00 N ATOM 1331 CA GLU A 88 8.126 -0.849 14.500 1.00 0.00 C ATOM 1332 C GLU A 88 7.663 -0.279 13.163 1.00 0.00 C ATOM 1333 O GLU A 88 6.536 -0.521 12.729 1.00 0.00 O ATOM 1334 CB GLU A 88 9.254 -1.858 14.274 1.00 0.00 C ATOM 1335 CG GLU A 88 10.008 -2.222 15.542 1.00 0.00 C ATOM 1336 CD GLU A 88 10.819 -1.064 16.091 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.207 -0.106 16.609 1.00 0.00 O ATOM 1338 OE2 GLU A 88 12.063 -1.114 16.002 1.00 0.00 O ATOM 0 H GLU A 88 7.177 -2.454 15.460 1.00 0.00 H new ATOM 0 HA GLU A 88 8.499 -0.030 15.115 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.837 -2.765 13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.957 -1.448 13.548 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.298 -2.555 16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.673 -3.061 15.337 1.00 0.00 H new ATOM 1345 N PHE A 89 8.540 0.480 12.514 1.00 0.00 N ATOM 1346 CA PHE A 89 8.222 1.087 11.227 1.00 0.00 C ATOM 1347 C PHE A 89 9.461 1.161 10.340 1.00 0.00 C ATOM 1348 O PHE A 89 10.583 1.282 10.831 1.00 0.00 O ATOM 1349 CB PHE A 89 7.640 2.487 11.429 1.00 0.00 C ATOM 1350 CG PHE A 89 6.213 2.482 11.896 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.178 2.255 11.003 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.905 2.704 13.229 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.863 2.250 11.429 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.592 2.699 13.661 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.570 2.472 12.760 1.00 0.00 C ATOM 0 H PHE A 89 9.477 0.689 12.859 1.00 0.00 H new ATOM 0 HA PHE A 89 7.479 0.461 10.732 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.250 3.024 12.156 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.705 3.037 10.490 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.402 2.080 9.961 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.700 2.883 13.938 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.066 2.073 10.722 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.365 2.873 14.703 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.544 2.468 13.096 1.00 0.00 H new ATOM 1365 N ARG A 90 9.248 1.089 9.030 1.00 0.00 N ATOM 1366 CA ARG A 90 10.347 1.146 8.073 1.00 0.00 C ATOM 1367 C ARG A 90 9.876 1.714 6.738 1.00 0.00 C ATOM 1368 O ARG A 90 8.916 1.221 6.146 1.00 0.00 O ATOM 1369 CB ARG A 90 10.944 -0.247 7.865 1.00 0.00 C ATOM 1370 CG ARG A 90 11.647 -0.798 9.095 1.00 0.00 C ATOM 1371 CD ARG A 90 12.609 -1.918 8.732 1.00 0.00 C ATOM 1372 NE ARG A 90 13.556 -2.197 9.809 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.261 -2.934 10.874 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.052 -3.464 11.004 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.176 -3.143 11.811 1.00 0.00 N ATOM 0 H ARG A 90 8.325 0.991 8.607 1.00 0.00 H new ATOM 0 HA ARG A 90 11.115 1.805 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.149 -0.934 7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.653 -0.209 7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.192 0.004 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.906 -1.169 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.044 -2.821 8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.156 -1.647 7.829 1.00 0.00 H new ATOM 0 HE ARG A 90 14.495 -1.804 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.346 -3.306 10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.828 -4.030 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.107 -2.738 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.949 -3.709 12.629 1.00 0.00 H new ATOM 1389 N ARG A 91 10.559 2.754 6.269 1.00 0.00 N ATOM 1390 CA ARG A 91 10.209 3.390 5.005 1.00 0.00 C ATOM 1391 C ARG A 91 10.586 2.498 3.825 1.00 0.00 C ATOM 1392 O ARG A 91 11.687 1.950 3.775 1.00 0.00 O ATOM 1393 CB ARG A 91 10.911 4.743 4.879 1.00 0.00 C ATOM 1394 CG ARG A 91 10.410 5.583 3.715 1.00 0.00 C ATOM 1395 CD ARG A 91 10.646 7.066 3.956 1.00 0.00 C ATOM 1396 NE ARG A 91 12.068 7.385 4.058 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.530 8.551 4.495 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.687 9.503 4.870 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.838 8.765 4.559 1.00 0.00 N ATOM 0 H ARG A 91 11.357 3.173 6.746 1.00 0.00 H new ATOM 0 HA ARG A 91 9.130 3.545 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.774 5.302 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.982 4.578 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.916 5.277 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.345 5.402 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.203 7.640 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.140 7.369 4.872 1.00 0.00 H new ATOM 0 HE ARG A 91 12.743 6.673 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.681 9.341 4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.044 10.398 5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.489 8.034 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.192 9.661 4.895 1.00 0.00 H new ATOM 1413 N TYR A 92 9.664 2.357 2.879 1.00 0.00 N ATOM 1414 CA TYR A 92 9.898 1.530 1.701 1.00 0.00 C ATOM 1415 C TYR A 92 11.202 1.921 1.011 1.00 0.00 C ATOM 1416 O TYR A 92 12.178 1.173 1.037 1.00 0.00 O ATOM 1417 CB TYR A 92 8.731 1.659 0.721 1.00 0.00 C ATOM 1418 CG TYR A 92 8.642 0.518 -0.267 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.537 -0.797 0.167 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.661 0.756 -1.636 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.455 -1.842 -0.733 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.579 -0.282 -2.543 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.477 -1.580 -2.086 1.00 0.00 C ATOM 1424 OH TYR A 92 8.395 -2.618 -2.986 1.00 0.00 O ATOM 0 H TYR A 92 8.748 2.805 2.905 1.00 0.00 H new ATOM 0 HA TYR A 92 9.977 0.493 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.799 1.715 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.829 2.596 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.519 -1.006 1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.741 1.771 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.374 -2.859 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.595 -0.079 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 92 7.533 -2.580 -3.451 1.00 0.00 H new ATOM 1434 N GLN A 93 11.207 3.099 0.395 1.00 0.00 N ATOM 1435 CA GLN A 93 12.390 3.590 -0.302 1.00 0.00 C ATOM 1436 C GLN A 93 12.760 2.670 -1.461 1.00 0.00 C ATOM 1437 O GLN A 93 13.912 2.263 -1.600 1.00 0.00 O ATOM 1438 CB GLN A 93 13.567 3.707 0.667 1.00 0.00 C ATOM 1439 CG GLN A 93 13.301 4.639 1.838 1.00 0.00 C ATOM 1440 CD GLN A 93 14.568 5.266 2.385 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.431 5.712 1.628 1.00 0.00 O ATOM 1442 NE2 GLN A 93 14.688 5.302 3.707 1.00 0.00 N ATOM 0 H GLN A 93 10.406 3.730 0.364 1.00 0.00 H new ATOM 0 HA GLN A 93 12.160 4.577 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.811 2.716 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.442 4.062 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.617 5.427 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.802 4.084 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.948 4.921 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.520 5.711 4.133 1.00 0.00 H new ATOM 1451 N GLY A 94 11.773 2.347 -2.292 1.00 0.00 N ATOM 1452 CA GLY A 94 12.015 1.477 -3.428 1.00 0.00 C ATOM 1453 C GLY A 94 11.351 1.979 -4.695 1.00 0.00 C ATOM 1454 O GLY A 94 10.801 3.079 -4.738 1.00 0.00 O ATOM 0 H GLY A 94 10.811 2.672 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.089 1.391 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.647 0.477 -3.200 1.00 0.00 H new ATOM 1458 N PRO A 95 11.399 1.162 -5.757 1.00 0.00 N ATOM 1459 CA PRO A 95 10.804 1.509 -7.051 1.00 0.00 C ATOM 1460 C PRO A 95 9.280 1.517 -7.004 1.00 0.00 C ATOM 1461 O PRO A 95 8.624 2.012 -7.920 1.00 0.00 O ATOM 1462 CB PRO A 95 11.304 0.400 -7.980 1.00 0.00 C ATOM 1463 CG PRO A 95 11.576 -0.755 -7.080 1.00 0.00 C ATOM 1464 CD PRO A 95 12.039 -0.165 -5.777 1.00 0.00 C ATOM 0 HA PRO A 95 11.084 2.512 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.557 0.148 -8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.204 0.706 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.680 -1.359 -6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.337 -1.409 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.729 -0.774 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.125 -0.088 -5.734 1.00 0.00 H new ATOM 1472 N ARG A 96 8.722 0.967 -5.930 1.00 0.00 N ATOM 1473 CA ARG A 96 7.275 0.911 -5.765 1.00 0.00 C ATOM 1474 C ARG A 96 6.626 0.141 -6.911 1.00 0.00 C ATOM 1475 O ARG A 96 5.660 0.605 -7.518 1.00 0.00 O ATOM 1476 CB ARG A 96 6.694 2.324 -5.692 1.00 0.00 C ATOM 1477 CG ARG A 96 5.453 2.428 -4.819 1.00 0.00 C ATOM 1478 CD ARG A 96 4.958 3.862 -4.724 1.00 0.00 C ATOM 1479 NE ARG A 96 5.129 4.585 -5.981 1.00 0.00 N ATOM 1480 CZ ARG A 96 6.238 5.240 -6.308 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.269 5.261 -5.474 1.00 0.00 N ATOM 1482 NH2 ARG A 96 6.318 5.874 -7.471 1.00 0.00 N ATOM 0 H ARG A 96 9.250 0.554 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 96 7.061 0.389 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.456 3.002 -5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.448 2.659 -6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.665 1.796 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.677 2.052 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.904 3.864 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.498 4.380 -3.932 1.00 0.00 H new ATOM 0 HE ARG A 96 4.354 4.587 -6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.212 4.774 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.119 5.764 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.528 5.859 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.170 6.376 -7.720 1.00 0.00 H new ATOM 1496 N THR A 97 7.164 -1.040 -7.204 1.00 0.00 N ATOM 1497 CA THR A 97 6.639 -1.873 -8.278 1.00 0.00 C ATOM 1498 C THR A 97 6.107 -3.196 -7.737 1.00 0.00 C ATOM 1499 O THR A 97 6.660 -3.760 -6.793 1.00 0.00 O ATOM 1500 CB THR A 97 7.715 -2.162 -9.342 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.914 -2.626 -8.712 1.00 0.00 O ATOM 1502 CG2 THR A 97 8.015 -0.915 -10.160 1.00 0.00 C ATOM 0 H THR A 97 7.963 -1.440 -6.712 1.00 0.00 H new ATOM 0 HA THR A 97 5.823 -1.317 -8.739 1.00 0.00 H new ATOM 0 HB THR A 97 7.335 -2.934 -10.012 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.593 -2.809 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.777 -1.143 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.106 -0.581 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.376 -0.126 -9.501 1.00 0.00 H new ATOM 1510 N LYS A 98 5.031 -3.687 -8.342 1.00 0.00 N ATOM 1511 CA LYS A 98 4.425 -4.945 -7.924 1.00 0.00 C ATOM 1512 C LYS A 98 5.494 -5.975 -7.575 1.00 0.00 C ATOM 1513 O LYS A 98 5.661 -6.344 -6.412 1.00 0.00 O ATOM 1514 CB LYS A 98 3.517 -5.490 -9.029 1.00 0.00 C ATOM 1515 CG LYS A 98 2.339 -6.295 -8.507 1.00 0.00 C ATOM 1516 CD LYS A 98 1.831 -7.278 -9.548 1.00 0.00 C ATOM 1517 CE LYS A 98 2.737 -8.495 -9.655 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.669 -9.120 -11.005 1.00 0.00 N ATOM 0 H LYS A 98 4.560 -3.232 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 98 3.827 -4.753 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.142 -4.657 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.108 -6.117 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.636 -6.836 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.534 -5.619 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.822 -7.596 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.769 -6.783 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.765 -8.202 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.451 -9.228 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.300 -9.946 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.693 -9.422 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.966 -8.429 -11.723 1.00 0.00 H new ATOM 1532 N LYS A 99 6.218 -6.436 -8.590 1.00 0.00 N ATOM 1533 CA LYS A 99 7.274 -7.421 -8.391 1.00 0.00 C ATOM 1534 C LYS A 99 8.113 -7.080 -7.164 1.00 0.00 C ATOM 1535 O LYS A 99 8.252 -7.893 -6.250 1.00 0.00 O ATOM 1536 CB LYS A 99 8.170 -7.496 -9.630 1.00 0.00 C ATOM 1537 CG LYS A 99 9.414 -8.344 -9.430 1.00 0.00 C ATOM 1538 CD LYS A 99 10.610 -7.495 -9.034 1.00 0.00 C ATOM 1539 CE LYS A 99 11.542 -8.247 -8.097 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.537 -9.066 -8.844 1.00 0.00 N ATOM 0 H LYS A 99 6.092 -6.143 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 99 6.805 -8.392 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.593 -7.902 -10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.470 -6.487 -9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.226 -9.091 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.639 -8.884 -10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.156 -7.195 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.265 -6.582 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.064 -7.536 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.956 -8.894 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.154 -9.563 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.040 -9.761 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.113 -8.446 -9.448 1.00 0.00 H new ATOM 1554 N ASP A 100 8.670 -5.874 -7.151 1.00 0.00 N ATOM 1555 CA ASP A 100 9.493 -5.424 -6.034 1.00 0.00 C ATOM 1556 C ASP A 100 8.808 -5.714 -4.702 1.00 0.00 C ATOM 1557 O ASP A 100 9.340 -6.443 -3.865 1.00 0.00 O ATOM 1558 CB ASP A 100 9.784 -3.927 -6.157 1.00 0.00 C ATOM 1559 CG ASP A 100 10.855 -3.464 -5.190 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.547 -3.320 -3.989 1.00 0.00 O ATOM 1561 OD2 ASP A 100 12.002 -3.245 -5.635 1.00 0.00 O ATOM 0 H ASP A 100 8.567 -5.190 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 100 10.434 -5.973 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.098 -3.704 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.867 -3.366 -5.975 1.00 0.00 H new ATOM 1566 N PHE A 101 7.626 -5.137 -4.513 1.00 0.00 N ATOM 1567 CA PHE A 101 6.869 -5.332 -3.282 1.00 0.00 C ATOM 1568 C PHE A 101 7.014 -6.764 -2.775 1.00 0.00 C ATOM 1569 O PHE A 101 7.501 -6.995 -1.668 1.00 0.00 O ATOM 1570 CB PHE A 101 5.391 -5.007 -3.510 1.00 0.00 C ATOM 1571 CG PHE A 101 5.117 -3.538 -3.661 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.714 -2.618 -2.815 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.263 -3.078 -4.650 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.463 -1.266 -2.952 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.008 -1.727 -4.792 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.610 -0.819 -3.942 1.00 0.00 C ATOM 0 H PHE A 101 7.172 -4.531 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 101 7.270 -4.656 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.047 -5.527 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.809 -5.393 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.383 -2.961 -2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.791 -3.783 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.934 -0.559 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.339 -1.381 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.414 0.237 -4.052 1.00 0.00 H new ATOM 1586 N ILE A 102 6.588 -7.721 -3.592 1.00 0.00 N ATOM 1587 CA ILE A 102 6.670 -9.129 -3.227 1.00 0.00 C ATOM 1588 C ILE A 102 7.899 -9.403 -2.367 1.00 0.00 C ATOM 1589 O ILE A 102 7.782 -9.819 -1.215 1.00 0.00 O ATOM 1590 CB ILE A 102 6.719 -10.032 -4.474 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.357 -10.053 -5.170 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.146 -11.441 -4.092 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.232 -9.039 -6.285 1.00 0.00 C ATOM 0 H ILE A 102 6.182 -7.547 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 102 5.771 -9.360 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 102 7.455 -9.626 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.180 -11.050 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.578 -9.866 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.176 -12.067 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.136 -11.410 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.433 -11.857 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.241 -9.111 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.377 -8.036 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.988 -9.238 -7.044 1.00 0.00 H new ATOM 1605 N ASN A 103 9.077 -9.165 -2.934 1.00 0.00 N ATOM 1606 CA ASN A 103 10.328 -9.385 -2.218 1.00 0.00 C ATOM 1607 C ASN A 103 10.311 -8.682 -0.864 1.00 0.00 C ATOM 1608 O ASN A 103 10.585 -9.294 0.169 1.00 0.00 O ATOM 1609 CB ASN A 103 11.511 -8.883 -3.050 1.00 0.00 C ATOM 1610 CG ASN A 103 11.808 -9.784 -4.233 1.00 0.00 C ATOM 1611 OD1 ASN A 103 12.698 -10.632 -4.175 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.061 -9.602 -5.317 1.00 0.00 N ATOM 0 H ASN A 103 9.191 -8.820 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 103 10.438 -10.456 -2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.299 -7.876 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.395 -8.816 -2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.215 -10.177 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.334 -8.887 -5.321 1.00 0.00 H new ATOM 1619 N PHE A 104 9.986 -7.393 -0.876 1.00 0.00 N ATOM 1620 CA PHE A 104 9.933 -6.607 0.351 1.00 0.00 C ATOM 1621 C PHE A 104 9.119 -7.325 1.423 1.00 0.00 C ATOM 1622 O PHE A 104 9.283 -7.071 2.616 1.00 0.00 O ATOM 1623 CB PHE A 104 9.328 -5.229 0.073 1.00 0.00 C ATOM 1624 CG PHE A 104 9.271 -4.344 1.284 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.388 -3.633 1.693 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.100 -4.223 2.016 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.339 -2.817 2.807 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.045 -3.408 3.131 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.166 -2.705 3.528 1.00 0.00 C ATOM 0 H PHE A 104 9.756 -6.871 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 104 10.952 -6.482 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.913 -4.734 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.320 -5.357 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.308 -3.718 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.221 -4.772 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.217 -2.267 3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.126 -3.321 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.125 -2.069 4.400 1.00 0.00 H new ATOM 1639 N ILE A 105 8.241 -8.222 0.988 1.00 0.00 N ATOM 1640 CA ILE A 105 7.401 -8.978 1.909 1.00 0.00 C ATOM 1641 C ILE A 105 7.986 -10.360 2.178 1.00 0.00 C ATOM 1642 O ILE A 105 8.360 -10.678 3.307 1.00 0.00 O ATOM 1643 CB ILE A 105 5.969 -9.136 1.365 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.373 -7.767 1.029 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.096 -9.866 2.375 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.351 -6.814 2.203 1.00 0.00 C ATOM 0 H ILE A 105 8.093 -8.443 0.003 1.00 0.00 H new ATOM 0 HA ILE A 105 7.366 -8.413 2.840 1.00 0.00 H new ATOM 0 HB ILE A 105 6.007 -9.729 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.947 -7.319 0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.356 -7.903 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.087 -9.970 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.513 -10.854 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.062 -9.298 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.916 -5.864 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.753 -7.242 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.369 -6.649 2.556 1.00 0.00 H new ATOM 1658 N SER A 106 8.063 -11.178 1.133 1.00 0.00 N ATOM 1659 CA SER A 106 8.601 -12.527 1.257 1.00 0.00 C ATOM 1660 C SER A 106 10.068 -12.491 1.677 1.00 0.00 C ATOM 1661 O SER A 106 10.455 -13.103 2.673 1.00 0.00 O ATOM 1662 CB SER A 106 8.457 -13.280 -0.067 1.00 0.00 C ATOM 1663 OG SER A 106 8.393 -14.680 0.147 1.00 0.00 O ATOM 0 H SER A 106 7.760 -10.930 0.191 1.00 0.00 H new ATOM 0 HA SER A 106 8.033 -13.048 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.557 -12.946 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.301 -13.046 -0.716 1.00 0.00 H new ATOM 0 HG SER A 106 8.299 -15.139 -0.714 1.00 0.00 H new ATOM 1669 N ASP A 107 10.878 -11.770 0.910 1.00 0.00 N ATOM 1670 CA ASP A 107 12.302 -11.653 1.202 1.00 0.00 C ATOM 1671 C ASP A 107 12.535 -10.779 2.431 1.00 0.00 C ATOM 1672 O ASP A 107 13.612 -10.801 3.026 1.00 0.00 O ATOM 1673 CB ASP A 107 13.045 -11.069 -0.002 1.00 0.00 C ATOM 1674 CG ASP A 107 13.532 -12.142 -0.956 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.684 -12.868 -1.517 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.762 -12.254 -1.143 1.00 0.00 O ATOM 0 H ASP A 107 10.573 -11.258 0.082 1.00 0.00 H new ATOM 0 HA ASP A 107 12.688 -12.651 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.386 -10.384 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.896 -10.484 0.348 1.00 0.00 H new ATOM 1681 N LYS A 108 11.518 -10.010 2.805 1.00 0.00 N ATOM 1682 CA LYS A 108 11.610 -9.129 3.962 1.00 0.00 C ATOM 1683 C LYS A 108 12.778 -8.158 3.816 1.00 0.00 C ATOM 1684 O LYS A 108 13.609 -8.034 4.714 1.00 0.00 O ATOM 1685 CB LYS A 108 11.774 -9.950 5.243 1.00 0.00 C ATOM 1686 CG LYS A 108 10.661 -10.960 5.464 1.00 0.00 C ATOM 1687 CD LYS A 108 11.103 -12.084 6.387 1.00 0.00 C ATOM 1688 CE LYS A 108 10.234 -13.320 6.216 1.00 0.00 C ATOM 1689 NZ LYS A 108 10.846 -14.520 6.851 1.00 0.00 N ATOM 0 H LYS A 108 10.620 -9.980 2.323 1.00 0.00 H new ATOM 0 HA LYS A 108 10.686 -8.553 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.728 -10.475 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.814 -9.273 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.792 -10.458 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.350 -11.376 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.143 -12.338 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.057 -11.746 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.253 -13.138 6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.078 -13.511 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.223 -15.342 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.771 -14.709 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.971 -14.348 7.869 1.00 0.00 H new ATOM 1703 N GLU A 109 12.832 -7.472 2.679 1.00 0.00 N ATOM 1704 CA GLU A 109 13.897 -6.512 2.416 1.00 0.00 C ATOM 1705 C GLU A 109 13.937 -5.434 3.497 1.00 0.00 C ATOM 1706 O GLU A 109 14.999 -4.899 3.815 1.00 0.00 O ATOM 1707 CB GLU A 109 13.705 -5.865 1.043 1.00 0.00 C ATOM 1708 CG GLU A 109 13.895 -6.830 -0.116 1.00 0.00 C ATOM 1709 CD GLU A 109 14.088 -6.119 -1.441 1.00 0.00 C ATOM 1710 OE1 GLU A 109 14.629 -4.993 -1.438 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.698 -6.689 -2.482 1.00 0.00 O ATOM 0 H GLU A 109 12.151 -7.563 1.925 1.00 0.00 H new ATOM 0 HA GLU A 109 14.845 -7.049 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.704 -5.438 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.410 -5.040 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.760 -7.463 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.028 -7.487 -0.183 1.00 0.00 H new ATOM 1718 N TRP A 110 12.774 -5.122 4.055 1.00 0.00 N ATOM 1719 CA TRP A 110 12.675 -4.108 5.099 1.00 0.00 C ATOM 1720 C TRP A 110 13.799 -4.264 6.117 1.00 0.00 C ATOM 1721 O TRP A 110 14.257 -3.285 6.706 1.00 0.00 O ATOM 1722 CB TRP A 110 11.319 -4.200 5.801 1.00 0.00 C ATOM 1723 CG TRP A 110 10.990 -5.581 6.279 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.171 -6.487 5.668 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.471 -6.213 7.471 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.114 -7.644 6.408 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.904 -7.501 7.518 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.328 -5.816 8.501 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.165 -8.392 8.556 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.586 -6.701 9.530 1.00 0.00 C ATOM 1731 CH2 TRP A 110 12.008 -7.977 9.551 1.00 0.00 C ATOM 0 H TRP A 110 11.886 -5.556 3.803 1.00 0.00 H new ATOM 0 HA TRP A 110 12.768 -3.129 4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.311 -3.518 6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.540 -3.865 5.116 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.645 -6.319 4.740 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.572 -8.474 6.169 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.780 -4.835 8.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.718 -9.375 8.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.245 -6.404 10.332 1.00 0.00 H new ATOM 0 HH2 TRP A 110 12.232 -8.646 10.368 1.00 0.00 H new ATOM 1742 N LYS A 111 14.241 -5.500 6.320 1.00 0.00 N ATOM 1743 CA LYS A 111 15.314 -5.785 7.266 1.00 0.00 C ATOM 1744 C LYS A 111 16.528 -4.902 6.993 1.00 0.00 C ATOM 1745 O LYS A 111 17.116 -4.338 7.915 1.00 0.00 O ATOM 1746 CB LYS A 111 15.714 -7.260 7.186 1.00 0.00 C ATOM 1747 CG LYS A 111 14.656 -8.207 7.725 1.00 0.00 C ATOM 1748 CD LYS A 111 14.889 -9.631 7.249 1.00 0.00 C ATOM 1749 CE LYS A 111 14.227 -10.642 8.173 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.989 -10.818 9.440 1.00 0.00 N ATOM 0 H LYS A 111 13.872 -6.322 5.841 1.00 0.00 H new ATOM 0 HA LYS A 111 14.947 -5.569 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.923 -7.515 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.639 -7.408 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.664 -8.181 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.669 -7.872 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.496 -9.747 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.960 -9.829 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.213 -10.315 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.145 -11.601 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.606 -11.630 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.991 -10.989 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.903 -9.959 10.019 1.00 0.00 H new ATOM 1764 N SER A 112 16.897 -4.787 5.721 1.00 0.00 N ATOM 1765 CA SER A 112 18.042 -3.975 5.328 1.00 0.00 C ATOM 1766 C SER A 112 17.846 -2.521 5.746 1.00 0.00 C ATOM 1767 O SER A 112 18.813 -1.791 5.965 1.00 0.00 O ATOM 1768 CB SER A 112 18.258 -4.058 3.815 1.00 0.00 C ATOM 1769 OG SER A 112 18.509 -5.392 3.409 1.00 0.00 O ATOM 0 H SER A 112 16.419 -5.246 4.945 1.00 0.00 H new ATOM 0 HA SER A 112 18.924 -4.365 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.378 -3.676 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.097 -3.423 3.529 1.00 0.00 H new ATOM 0 HG SER A 112 18.642 -5.419 2.438 1.00 0.00 H new ATOM 1775 N ILE A 113 16.588 -2.107 5.854 1.00 0.00 N ATOM 1776 CA ILE A 113 16.264 -0.741 6.246 1.00 0.00 C ATOM 1777 C ILE A 113 16.269 -0.590 7.763 1.00 0.00 C ATOM 1778 O ILE A 113 15.819 -1.478 8.487 1.00 0.00 O ATOM 1779 CB ILE A 113 14.889 -0.310 5.702 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.831 -0.507 4.186 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.608 1.140 6.064 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.423 -0.564 3.637 1.00 0.00 C ATOM 0 H ILE A 113 15.776 -2.698 5.675 1.00 0.00 H new ATOM 0 HA ILE A 113 17.032 -0.098 5.817 1.00 0.00 H new ATOM 0 HB ILE A 113 14.122 -0.934 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.368 0.308 3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.351 -1.430 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.633 1.430 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.612 1.252 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.378 1.779 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.459 -0.705 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.888 -1.396 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.906 0.368 3.864 1.00 0.00 H new ATOM 1794 N GLU A 114 16.778 0.543 8.238 1.00 0.00 N ATOM 1795 CA GLU A 114 16.840 0.811 9.670 1.00 0.00 C ATOM 1796 C GLU A 114 15.446 1.066 10.236 1.00 0.00 C ATOM 1797 O GLU A 114 14.592 1.680 9.597 1.00 0.00 O ATOM 1798 CB GLU A 114 17.744 2.014 9.948 1.00 0.00 C ATOM 1799 CG GLU A 114 17.084 3.351 9.655 1.00 0.00 C ATOM 1800 CD GLU A 114 18.085 4.427 9.285 1.00 0.00 C ATOM 1801 OE1 GLU A 114 18.935 4.171 8.406 1.00 0.00 O ATOM 1802 OE2 GLU A 114 18.019 5.527 9.873 1.00 0.00 O ATOM 0 H GLU A 114 17.153 1.289 7.652 1.00 0.00 H new ATOM 0 HA GLU A 114 17.257 -0.068 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.053 1.992 10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.648 1.925 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.370 3.229 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.518 3.672 10.529 1.00 0.00 H new ATOM 1809 N PRO A 115 15.209 0.583 11.465 1.00 0.00 N ATOM 1810 CA PRO A 115 13.921 0.747 12.145 1.00 0.00 C ATOM 1811 C PRO A 115 13.662 2.192 12.556 1.00 0.00 C ATOM 1812 O PRO A 115 14.556 2.876 13.054 1.00 0.00 O ATOM 1813 CB PRO A 115 14.057 -0.145 13.382 1.00 0.00 C ATOM 1814 CG PRO A 115 15.523 -0.219 13.636 1.00 0.00 C ATOM 1815 CD PRO A 115 16.181 -0.159 12.285 1.00 0.00 C ATOM 0 HA PRO A 115 13.083 0.481 11.501 1.00 0.00 H new ATOM 0 HB2 PRO A 115 13.528 0.279 14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 115 13.635 -1.134 13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.852 0.607 14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.783 -1.141 14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 115 17.143 0.352 12.329 1.00 0.00 H new ATOM 0 HD3 PRO A 115 16.367 -1.155 11.884 1.00 0.00 H new ATOM 1823 N VAL A 116 12.432 2.651 12.345 1.00 0.00 N ATOM 1824 CA VAL A 116 12.055 4.015 12.696 1.00 0.00 C ATOM 1825 C VAL A 116 10.839 4.029 13.615 1.00 0.00 C ATOM 1826 O VAL A 116 10.062 3.075 13.650 1.00 0.00 O ATOM 1827 CB VAL A 116 11.745 4.852 11.440 1.00 0.00 C ATOM 1828 CG1 VAL A 116 12.974 4.953 10.550 1.00 0.00 C ATOM 1829 CG2 VAL A 116 10.572 4.255 10.678 1.00 0.00 C ATOM 0 H VAL A 116 11.680 2.098 11.933 1.00 0.00 H new ATOM 0 HA VAL A 116 12.906 4.455 13.216 1.00 0.00 H new ATOM 0 HB VAL A 116 11.469 5.859 11.754 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.737 5.548 9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.784 5.430 11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.283 3.954 10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.367 4.859 9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.816 3.237 10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.691 4.240 11.320 1.00 0.00 H new ATOM 1839 N SER A 117 10.679 5.119 14.359 1.00 0.00 N ATOM 1840 CA SER A 117 9.559 5.258 15.282 1.00 0.00 C ATOM 1841 C SER A 117 8.862 6.602 15.094 1.00 0.00 C ATOM 1842 O SER A 117 7.739 6.667 14.594 1.00 0.00 O ATOM 1843 CB SER A 117 10.041 5.118 16.727 1.00 0.00 C ATOM 1844 OG SER A 117 11.119 5.999 16.992 1.00 0.00 O ATOM 0 H SER A 117 11.311 5.919 14.340 1.00 0.00 H new ATOM 0 HA SER A 117 8.843 4.465 15.067 1.00 0.00 H new ATOM 0 HB2 SER A 117 9.218 5.329 17.410 1.00 0.00 H new ATOM 0 HB3 SER A 117 10.353 4.090 16.912 1.00 0.00 H new ATOM 0 HG SER A 117 11.408 5.892 17.922 1.00 0.00 H new ATOM 1850 N SER A 118 9.538 7.673 15.498 1.00 0.00 N ATOM 1851 CA SER A 118 8.983 9.016 15.378 1.00 0.00 C ATOM 1852 C SER A 118 7.471 9.000 15.581 1.00 0.00 C ATOM 1853 O SER A 118 6.737 9.728 14.913 1.00 0.00 O ATOM 1854 CB SER A 118 9.319 9.609 14.009 1.00 0.00 C ATOM 1855 OG SER A 118 10.661 10.063 13.964 1.00 0.00 O ATOM 0 H SER A 118 10.470 7.637 15.911 1.00 0.00 H new ATOM 0 HA SER A 118 9.429 9.637 16.155 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.160 8.858 13.235 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.644 10.437 13.793 1.00 0.00 H new ATOM 0 HG SER A 118 10.851 10.436 13.078 1.00 0.00 H new ATOM 1861 N TRP A 119 7.014 8.166 16.508 1.00 0.00 N ATOM 1862 CA TRP A 119 5.590 8.055 16.800 1.00 0.00 C ATOM 1863 C TRP A 119 5.225 8.855 18.046 1.00 0.00 C ATOM 1864 O TRP A 119 5.549 8.460 19.166 1.00 0.00 O ATOM 1865 CB TRP A 119 5.200 6.588 16.989 1.00 0.00 C ATOM 1866 CG TRP A 119 3.721 6.376 17.108 1.00 0.00 C ATOM 1867 CD1 TRP A 119 2.998 6.272 18.262 1.00 0.00 C ATOM 1868 CD2 TRP A 119 2.786 6.241 16.032 1.00 0.00 C ATOM 1869 NE1 TRP A 119 1.670 6.080 17.968 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.513 6.059 16.607 1.00 0.00 C ATOM 1871 CE3 TRP A 119 2.900 6.259 14.639 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.365 5.894 15.837 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 1.760 6.095 13.876 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.506 5.915 14.476 1.00 0.00 C ATOM 0 H TRP A 119 7.609 7.557 17.070 1.00 0.00 H new ATOM 0 HA TRP A 119 5.038 8.465 15.954 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.576 6.008 16.146 1.00 0.00 H new ATOM 0 HB3 TRP A 119 5.688 6.202 17.884 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.410 6.332 19.259 1.00 0.00 H new ATOM 0 HE1 TRP A 119 0.922 5.971 18.652 1.00 0.00 H new ATOM 0 HE3 TRP A 119 3.862 6.399 14.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.602 5.754 16.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.836 6.106 12.799 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.366 5.790 13.852 1.00 0.00 H new ATOM 1885 N PHE A 120 4.549 9.981 17.843 1.00 0.00 N ATOM 1886 CA PHE A 120 4.141 10.837 18.951 1.00 0.00 C ATOM 1887 C PHE A 120 2.621 10.970 19.004 1.00 0.00 C ATOM 1888 O PHE A 120 2.089 12.068 19.167 1.00 0.00 O ATOM 1889 CB PHE A 120 4.780 12.221 18.816 1.00 0.00 C ATOM 1890 CG PHE A 120 5.040 12.892 20.134 1.00 0.00 C ATOM 1891 CD1 PHE A 120 6.166 12.575 20.878 1.00 0.00 C ATOM 1892 CD2 PHE A 120 4.159 13.839 20.631 1.00 0.00 C ATOM 1893 CE1 PHE A 120 6.409 13.191 22.091 1.00 0.00 C ATOM 1894 CE2 PHE A 120 4.397 14.458 21.843 1.00 0.00 C ATOM 1895 CZ PHE A 120 5.522 14.133 22.575 1.00 0.00 C ATOM 0 H PHE A 120 4.272 10.322 16.922 1.00 0.00 H new ATOM 0 HA PHE A 120 4.481 10.376 19.878 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.721 12.127 18.274 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.128 12.856 18.216 1.00 0.00 H new ATOM 0 HD1 PHE A 120 6.862 11.838 20.505 1.00 0.00 H new ATOM 0 HD2 PHE A 120 3.276 14.096 20.064 1.00 0.00 H new ATOM 0 HE1 PHE A 120 7.291 12.936 22.660 1.00 0.00 H new ATOM 0 HE2 PHE A 120 3.703 15.196 22.218 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.708 14.614 23.524 1.00 0.00 H new ATOM 1905 N SER A 121 1.930 9.843 18.866 1.00 0.00 N ATOM 1906 CA SER A 121 0.472 9.833 18.894 1.00 0.00 C ATOM 1907 C SER A 121 -0.042 9.446 20.278 1.00 0.00 C ATOM 1908 O SER A 121 0.692 8.886 21.091 1.00 0.00 O ATOM 1909 CB SER A 121 -0.073 8.862 17.845 1.00 0.00 C ATOM 1910 OG SER A 121 0.396 9.195 16.550 1.00 0.00 O ATOM 0 H SER A 121 2.356 8.926 18.734 1.00 0.00 H new ATOM 0 HA SER A 121 0.122 10.839 18.664 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.229 7.845 18.094 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.163 8.883 17.857 1.00 0.00 H new ATOM 0 HG SER A 121 0.646 8.377 16.072 1.00 0.00 H new ATOM 1916 N GLY A 122 -1.310 9.749 20.537 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.902 9.426 21.822 1.00 0.00 C ATOM 1918 C GLY A 122 -3.382 9.752 21.878 1.00 0.00 C ATOM 1919 O GLY A 122 -3.976 10.208 20.900 1.00 0.00 O ATOM 0 H GLY A 122 -1.938 10.212 19.880 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.759 8.365 22.028 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.382 9.976 22.606 1.00 0.00 H new ATOM 1923 N PRO A 123 -4.001 9.515 23.044 1.00 0.00 N ATOM 1924 CA PRO A 123 -5.428 9.778 23.250 1.00 0.00 C ATOM 1925 C PRO A 123 -5.745 11.269 23.273 1.00 0.00 C ATOM 1926 O PRO A 123 -5.555 11.938 24.289 1.00 0.00 O ATOM 1927 CB PRO A 123 -5.710 9.150 24.617 1.00 0.00 C ATOM 1928 CG PRO A 123 -4.396 9.162 25.319 1.00 0.00 C ATOM 1929 CD PRO A 123 -3.355 8.972 24.250 1.00 0.00 C ATOM 0 HA PRO A 123 -6.038 9.370 22.444 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -6.458 9.720 25.168 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -6.095 8.135 24.515 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.245 10.103 25.848 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -4.343 8.366 26.062 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -2.434 9.505 24.487 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.093 7.921 24.127 1.00 0.00 H new ATOM 1937 N SER A 124 -6.229 11.784 22.147 1.00 0.00 N ATOM 1938 CA SER A 124 -6.569 13.198 22.038 1.00 0.00 C ATOM 1939 C SER A 124 -8.070 13.411 22.216 1.00 0.00 C ATOM 1940 O SER A 124 -8.883 12.710 21.614 1.00 0.00 O ATOM 1941 CB SER A 124 -6.122 13.748 20.682 1.00 0.00 C ATOM 1942 OG SER A 124 -4.754 13.468 20.444 1.00 0.00 O ATOM 0 H SER A 124 -6.394 11.244 21.298 1.00 0.00 H new ATOM 0 HA SER A 124 -6.047 13.734 22.830 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.729 13.309 19.890 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.287 14.825 20.651 1.00 0.00 H new ATOM 0 HG SER A 124 -4.493 13.828 19.571 1.00 0.00 H new ATOM 1948 N SER A 125 -8.428 14.384 23.048 1.00 0.00 N ATOM 1949 CA SER A 125 -9.830 14.688 23.309 1.00 0.00 C ATOM 1950 C SER A 125 -10.057 16.195 23.368 1.00 0.00 C ATOM 1951 O SER A 125 -9.114 16.980 23.281 1.00 0.00 O ATOM 1952 CB SER A 125 -10.277 14.042 24.622 1.00 0.00 C ATOM 1953 OG SER A 125 -9.597 14.611 25.728 1.00 0.00 O ATOM 0 H SER A 125 -7.767 14.975 23.552 1.00 0.00 H new ATOM 0 HA SER A 125 -10.423 14.280 22.491 1.00 0.00 H new ATOM 0 HB2 SER A 125 -11.352 14.171 24.747 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.086 12.969 24.587 1.00 0.00 H new ATOM 0 HG SER A 125 -9.902 14.182 26.555 1.00 0.00 H new ATOM 1959 N GLY A 126 -11.318 16.592 23.515 1.00 0.00 N ATOM 1960 CA GLY A 126 -11.648 18.004 23.583 1.00 0.00 C ATOM 1961 C GLY A 126 -13.128 18.243 23.804 1.00 0.00 C ATOM 1962 O GLY A 126 -13.535 19.338 24.193 1.00 0.00 O ATOM 0 H GLY A 126 -12.116 15.961 23.588 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -11.083 18.467 24.392 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -11.338 18.491 22.658 1.00 0.00 H new TER 1966 GLY A 126