USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=28 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 Single : A 1 GLY N :NH3+ -169:sc= 0 (180deg=-0.151) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 114:sc= 0.173 USER MOD Single : A 6 SER OG : rot 60:sc= 0.262 USER MOD Single : A 8 ASN : amide:sc= -0.677 K(o=-0.68,f=-2.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 16 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.3) USER MOD Single : A 26 MET CE :methyl 158:sc= -0.471 (180deg=-1.05) USER MOD Single : A 30 TYR OH : rot -64:sc= 0.0297 USER MOD Single : A 34 CYS SG : rot 54:sc= 0.788 USER MOD Single : A 37 CYS SG : rot 40:sc= -2.95 USER MOD Single : A 38 GLN : amide:sc= -2.27! C(o=-2.3!,f=-4.5!) USER MOD Single : A 39 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.3!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.906 F(o=-1.4!,f=-0.91) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.13 K(o=1.1,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= -0.123 X(o=-0.12,f=-0.29) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 80 THR OG1 : rot 117:sc= 0.977 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc=-0.00642 X(o=-0.0064,f=-0.012) USER MOD Single : A 84 CYS SG : rot 102:sc=-0.00521! USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0.715 (180deg=0.599) USER MOD Single : A 92 TYR OH : rot 102:sc= -0.625 USER MOD Single : A 93 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.61) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.28 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= -0.75 X(o=-0.75,f=-0.34) 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+ -154:sc= 0.156 (180deg=-0.18) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 140:sc= 1.91 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 -11.211 -14.607 8.736 1.00 0.00 N ATOM 2 CA GLY A 1 -12.020 -15.676 8.179 1.00 0.00 C ATOM 3 C GLY A 1 -11.725 -15.922 6.713 1.00 0.00 C ATOM 4 O GLY A 1 -11.857 -17.045 6.227 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.310 -14.600 9.771 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.213 -14.760 8.485 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.529 -13.695 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.842 -16.593 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.075 -15.429 8.298 1.00 0.00 H new ATOM 8 N SER A 2 -11.327 -14.870 6.006 1.00 0.00 N ATOM 9 CA SER A 2 -11.018 -14.976 4.585 1.00 0.00 C ATOM 10 C SER A 2 -12.168 -15.633 3.827 1.00 0.00 C ATOM 11 O SER A 2 -11.956 -16.532 3.013 1.00 0.00 O ATOM 12 CB SER A 2 -9.732 -15.779 4.379 1.00 0.00 C ATOM 13 OG SER A 2 -8.596 -14.932 4.381 1.00 0.00 O ATOM 0 H SER A 2 -11.211 -13.934 6.394 1.00 0.00 H new ATOM 0 HA SER A 2 -10.875 -13.969 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.635 -16.525 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.785 -16.320 3.434 1.00 0.00 H new ATOM 0 HG SER A 2 -7.787 -15.469 4.249 1.00 0.00 H new ATOM 19 N SER A 3 -13.386 -15.177 4.101 1.00 0.00 N ATOM 20 CA SER A 3 -14.571 -15.722 3.449 1.00 0.00 C ATOM 21 C SER A 3 -15.436 -14.605 2.873 1.00 0.00 C ATOM 22 O SER A 3 -16.376 -14.138 3.515 1.00 0.00 O ATOM 23 CB SER A 3 -15.387 -16.555 4.440 1.00 0.00 C ATOM 24 OG SER A 3 -14.928 -17.895 4.478 1.00 0.00 O ATOM 0 H SER A 3 -13.578 -14.431 4.770 1.00 0.00 H new ATOM 0 HA SER A 3 -14.243 -16.363 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.317 -16.115 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.439 -16.535 4.157 1.00 0.00 H new ATOM 0 HG SER A 3 -15.464 -18.406 5.120 1.00 0.00 H new ATOM 30 N GLY A 4 -15.111 -14.181 1.655 1.00 0.00 N ATOM 31 CA GLY A 4 -15.867 -13.123 1.012 1.00 0.00 C ATOM 32 C GLY A 4 -15.648 -11.773 1.667 1.00 0.00 C ATOM 33 O GLY A 4 -16.503 -11.291 2.410 1.00 0.00 O ATOM 0 H GLY A 4 -14.338 -14.552 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.582 -13.064 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.928 -13.370 1.041 1.00 0.00 H new ATOM 37 N SER A 5 -14.499 -11.163 1.394 1.00 0.00 N ATOM 38 CA SER A 5 -14.168 -9.864 1.967 1.00 0.00 C ATOM 39 C SER A 5 -14.554 -8.736 1.014 1.00 0.00 C ATOM 40 O SER A 5 -14.806 -8.967 -0.169 1.00 0.00 O ATOM 41 CB SER A 5 -12.674 -9.789 2.286 1.00 0.00 C ATOM 42 OG SER A 5 -11.894 -9.957 1.115 1.00 0.00 O ATOM 0 H SER A 5 -13.782 -11.548 0.779 1.00 0.00 H new ATOM 0 HA SER A 5 -14.735 -9.746 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.445 -8.827 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.415 -10.559 3.013 1.00 0.00 H new ATOM 0 HG SER A 5 -11.417 -9.124 0.917 1.00 0.00 H new ATOM 48 N SER A 6 -14.596 -7.516 1.538 1.00 0.00 N ATOM 49 CA SER A 6 -14.954 -6.351 0.737 1.00 0.00 C ATOM 50 C SER A 6 -13.721 -5.752 0.068 1.00 0.00 C ATOM 51 O SER A 6 -13.526 -4.537 0.073 1.00 0.00 O ATOM 52 CB SER A 6 -15.639 -5.296 1.608 1.00 0.00 C ATOM 53 OG SER A 6 -14.722 -4.714 2.519 1.00 0.00 O ATOM 0 H SER A 6 -14.386 -7.308 2.514 1.00 0.00 H new ATOM 0 HA SER A 6 -15.647 -6.675 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.069 -4.520 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.463 -5.752 2.157 1.00 0.00 H new ATOM 0 HG SER A 6 -13.993 -4.287 2.022 1.00 0.00 H new ATOM 59 N GLY A 7 -12.889 -6.615 -0.508 1.00 0.00 N ATOM 60 CA GLY A 7 -11.685 -6.154 -1.173 1.00 0.00 C ATOM 61 C GLY A 7 -10.423 -6.567 -0.440 1.00 0.00 C ATOM 62 O GLY A 7 -10.489 -7.176 0.627 1.00 0.00 O ATOM 0 H GLY A 7 -13.028 -7.625 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.659 -6.552 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.713 -5.068 -1.257 1.00 0.00 H new ATOM 66 N ASN A 8 -9.272 -6.236 -1.014 1.00 0.00 N ATOM 67 CA ASN A 8 -7.990 -6.578 -0.410 1.00 0.00 C ATOM 68 C ASN A 8 -7.383 -5.371 0.300 1.00 0.00 C ATOM 69 O ASN A 8 -6.675 -5.514 1.297 1.00 0.00 O ATOM 70 CB ASN A 8 -7.022 -7.097 -1.475 1.00 0.00 C ATOM 71 CG ASN A 8 -7.639 -8.181 -2.337 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.703 -7.991 -2.926 1.00 0.00 O ATOM 73 ND2 ASN A 8 -6.971 -9.327 -2.414 1.00 0.00 N ATOM 0 H ASN A 8 -9.200 -5.731 -1.897 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.163 -7.362 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.705 -6.269 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.127 -7.487 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.337 -10.094 -2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.092 -9.440 -1.909 1.00 0.00 H new ATOM 80 N VAL A 9 -7.666 -4.181 -0.222 1.00 0.00 N ATOM 81 CA VAL A 9 -7.150 -2.949 0.362 1.00 0.00 C ATOM 82 C VAL A 9 -7.994 -2.510 1.554 1.00 0.00 C ATOM 83 O VAL A 9 -9.201 -2.300 1.429 1.00 0.00 O ATOM 84 CB VAL A 9 -7.114 -1.810 -0.674 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.602 -0.526 -0.039 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.256 -2.203 -1.867 1.00 0.00 C ATOM 0 H VAL A 9 -8.249 -4.045 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.134 -3.158 0.697 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.129 -1.632 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.584 0.267 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.261 -0.238 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.594 -0.686 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.241 -1.387 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.239 -2.409 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.671 -3.095 -2.336 1.00 0.00 H new ATOM 96 N ARG A 10 -7.351 -2.373 2.708 1.00 0.00 N ATOM 97 CA ARG A 10 -8.042 -1.959 3.924 1.00 0.00 C ATOM 98 C ARG A 10 -7.974 -0.445 4.100 1.00 0.00 C ATOM 99 O ARG A 10 -7.016 0.198 3.670 1.00 0.00 O ATOM 100 CB ARG A 10 -7.433 -2.653 5.143 1.00 0.00 C ATOM 101 CG ARG A 10 -7.883 -4.095 5.312 1.00 0.00 C ATOM 102 CD ARG A 10 -9.136 -4.191 6.168 1.00 0.00 C ATOM 103 NE ARG A 10 -9.807 -5.479 6.014 1.00 0.00 N ATOM 104 CZ ARG A 10 -10.563 -5.793 4.967 1.00 0.00 C ATOM 105 NH1 ARG A 10 -10.742 -4.918 3.988 1.00 0.00 N ATOM 106 NH2 ARG A 10 -11.141 -6.986 4.899 1.00 0.00 N ATOM 0 H ARG A 10 -6.352 -2.542 2.827 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.089 -2.250 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.346 -2.628 5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.697 -2.092 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.075 -4.534 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.083 -4.676 5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.872 -4.043 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.823 -3.390 5.896 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.689 -6.175 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.299 -4.001 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.323 -5.162 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.005 -7.662 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.721 -7.227 4.095 1.00 0.00 H new ATOM 120 N VAL A 11 -8.997 0.119 4.734 1.00 0.00 N ATOM 121 CA VAL A 11 -9.053 1.557 4.968 1.00 0.00 C ATOM 122 C VAL A 11 -8.758 1.889 6.426 1.00 0.00 C ATOM 123 O VAL A 11 -9.632 1.780 7.287 1.00 0.00 O ATOM 124 CB VAL A 11 -10.431 2.133 4.590 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.492 3.620 4.905 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.730 1.878 3.121 1.00 0.00 C ATOM 0 H VAL A 11 -9.799 -0.398 5.095 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.291 2.011 4.334 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.192 1.628 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.472 4.010 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.325 3.773 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.722 4.144 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.707 2.291 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.967 2.355 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.731 0.805 2.931 1.00 0.00 H new ATOM 136 N ILE A 12 -7.521 2.293 6.696 1.00 0.00 N ATOM 137 CA ILE A 12 -7.111 2.643 8.050 1.00 0.00 C ATOM 138 C ILE A 12 -7.598 4.037 8.430 1.00 0.00 C ATOM 139 O ILE A 12 -7.428 4.994 7.673 1.00 0.00 O ATOM 140 CB ILE A 12 -5.580 2.585 8.207 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.069 1.172 7.922 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.174 3.029 9.605 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.618 0.128 8.870 1.00 0.00 C ATOM 0 H ILE A 12 -6.786 2.386 5.995 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.565 1.909 8.716 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.130 3.266 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.333 0.898 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.981 1.169 7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.089 2.983 9.701 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.510 4.052 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.632 2.371 10.343 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.213 -0.850 8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.332 0.378 9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.705 0.103 8.794 1.00 0.00 H new ATOM 155 N THR A 13 -8.204 4.147 9.608 1.00 0.00 N ATOM 156 CA THR A 13 -8.715 5.424 10.089 1.00 0.00 C ATOM 157 C THR A 13 -7.891 5.939 11.263 1.00 0.00 C ATOM 158 O THR A 13 -6.871 5.351 11.624 1.00 0.00 O ATOM 159 CB THR A 13 -10.189 5.312 10.521 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.328 4.313 11.536 1.00 0.00 O ATOM 161 CG2 THR A 13 -11.076 4.964 9.334 1.00 0.00 C ATOM 0 H THR A 13 -8.353 3.366 10.247 1.00 0.00 H new ATOM 0 HA THR A 13 -8.639 6.127 9.260 1.00 0.00 H new ATOM 0 HB THR A 13 -10.502 6.278 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.268 4.250 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.112 4.890 9.664 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.991 5.742 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.761 4.010 8.912 1.00 0.00 H new ATOM 169 N ASP A 14 -8.339 7.039 11.857 1.00 0.00 N ATOM 170 CA ASP A 14 -7.644 7.632 12.994 1.00 0.00 C ATOM 171 C ASP A 14 -7.728 6.724 14.217 1.00 0.00 C ATOM 172 O ASP A 14 -7.155 7.024 15.264 1.00 0.00 O ATOM 173 CB ASP A 14 -8.234 9.005 13.320 1.00 0.00 C ATOM 174 CG ASP A 14 -7.225 9.929 13.972 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.037 9.874 13.591 1.00 0.00 O ATOM 176 OD2 ASP A 14 -7.623 10.709 14.863 1.00 0.00 O ATOM 0 H ASP A 14 -9.181 7.539 11.570 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.595 7.751 12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.604 9.465 12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.090 8.881 13.983 1.00 0.00 H new ATOM 181 N GLU A 15 -8.446 5.615 14.075 1.00 0.00 N ATOM 182 CA GLU A 15 -8.606 4.665 15.170 1.00 0.00 C ATOM 183 C GLU A 15 -8.079 3.287 14.776 1.00 0.00 C ATOM 184 O GLU A 15 -7.657 2.507 15.628 1.00 0.00 O ATOM 185 CB GLU A 15 -10.078 4.563 15.575 1.00 0.00 C ATOM 186 CG GLU A 15 -10.287 4.007 16.974 1.00 0.00 C ATOM 187 CD GLU A 15 -10.457 2.500 16.984 1.00 0.00 C ATOM 188 OE1 GLU A 15 -9.911 1.835 16.079 1.00 0.00 O ATOM 189 OE2 GLU A 15 -11.136 1.986 17.897 1.00 0.00 O ATOM 0 H GLU A 15 -8.926 5.352 13.214 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.027 5.028 16.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.532 5.552 15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.600 3.928 14.859 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.436 4.277 17.599 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.168 4.471 17.417 1.00 0.00 H new ATOM 196 N ASN A 16 -8.109 2.997 13.480 1.00 0.00 N ATOM 197 CA ASN A 16 -7.636 1.714 12.973 1.00 0.00 C ATOM 198 C ASN A 16 -6.115 1.629 13.045 1.00 0.00 C ATOM 199 O ASN A 16 -5.554 0.557 13.276 1.00 0.00 O ATOM 200 CB ASN A 16 -8.102 1.510 11.529 1.00 0.00 C ATOM 201 CG ASN A 16 -8.355 0.050 11.205 1.00 0.00 C ATOM 202 OD1 ASN A 16 -8.002 -0.839 11.979 1.00 0.00 O ATOM 203 ND2 ASN A 16 -8.968 -0.202 10.055 1.00 0.00 N ATOM 0 H ASN A 16 -8.456 3.633 12.762 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.056 0.926 13.598 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.015 2.080 11.361 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.349 1.906 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.164 -1.165 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.243 0.567 9.444 1.00 0.00 H new ATOM 210 N TRP A 17 -5.454 2.763 12.847 1.00 0.00 N ATOM 211 CA TRP A 17 -3.997 2.817 12.890 1.00 0.00 C ATOM 212 C TRP A 17 -3.451 1.898 13.978 1.00 0.00 C ATOM 213 O TRP A 17 -2.485 1.167 13.758 1.00 0.00 O ATOM 214 CB TRP A 17 -3.526 4.251 13.132 1.00 0.00 C ATOM 215 CG TRP A 17 -3.671 4.692 14.558 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.616 5.538 15.062 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.843 4.309 15.661 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.426 5.705 16.412 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.345 4.960 16.805 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.727 3.477 15.795 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.768 4.806 18.062 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -1.156 3.325 17.044 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.677 3.986 18.165 1.00 0.00 C ATOM 0 H TRP A 17 -5.904 3.658 12.655 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.617 2.476 11.927 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.480 4.337 12.837 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.094 4.925 12.491 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.398 6.007 14.484 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.997 6.289 17.023 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.319 2.963 14.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -3.167 5.316 18.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.293 2.686 17.159 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.209 3.846 19.128 1.00 0.00 H new ATOM 234 N ARG A 18 -4.074 1.942 15.151 1.00 0.00 N ATOM 235 CA ARG A 18 -3.649 1.114 16.273 1.00 0.00 C ATOM 236 C ARG A 18 -3.414 -0.327 15.828 1.00 0.00 C ATOM 237 O ARG A 18 -2.395 -0.930 16.159 1.00 0.00 O ATOM 238 CB ARG A 18 -4.697 1.150 17.387 1.00 0.00 C ATOM 239 CG ARG A 18 -4.612 2.390 18.262 1.00 0.00 C ATOM 240 CD ARG A 18 -5.356 2.197 19.575 1.00 0.00 C ATOM 241 NE ARG A 18 -4.506 1.605 20.604 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.909 1.379 21.849 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.143 1.694 22.218 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.077 0.836 22.729 1.00 0.00 N ATOM 0 H ARG A 18 -4.875 2.542 15.349 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.710 1.516 16.653 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.690 1.097 16.942 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.581 0.265 18.013 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.567 2.622 18.466 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.030 3.243 17.728 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.731 3.159 19.924 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.223 1.558 19.410 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.551 1.351 20.353 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.786 2.111 21.545 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.449 1.519 23.175 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.127 0.592 22.449 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.388 0.663 23.685 1.00 0.00 H new ATOM 258 N GLU A 19 -4.366 -0.871 15.076 1.00 0.00 N ATOM 259 CA GLU A 19 -4.263 -2.240 14.587 1.00 0.00 C ATOM 260 C GLU A 19 -2.898 -2.490 13.951 1.00 0.00 C ATOM 261 O GLU A 19 -2.379 -3.606 13.987 1.00 0.00 O ATOM 262 CB GLU A 19 -5.371 -2.528 13.571 1.00 0.00 C ATOM 263 CG GLU A 19 -6.720 -2.819 14.208 1.00 0.00 C ATOM 264 CD GLU A 19 -6.808 -4.224 14.772 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.346 -5.165 14.092 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.338 -4.382 15.891 1.00 0.00 O ATOM 0 H GLU A 19 -5.217 -0.384 14.793 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.377 -2.911 15.438 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.471 -1.673 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.077 -3.379 12.957 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.904 -2.099 15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.506 -2.680 13.466 1.00 0.00 H new ATOM 273 N LEU A 20 -2.323 -1.443 13.369 1.00 0.00 N ATOM 274 CA LEU A 20 -1.019 -1.547 12.725 1.00 0.00 C ATOM 275 C LEU A 20 0.053 -1.962 13.728 1.00 0.00 C ATOM 276 O LEU A 20 0.982 -2.698 13.392 1.00 0.00 O ATOM 277 CB LEU A 20 -0.640 -0.214 12.078 1.00 0.00 C ATOM 278 CG LEU A 20 -1.717 0.443 11.214 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.411 1.919 11.011 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.833 -0.268 9.874 1.00 0.00 C ATOM 0 H LEU A 20 -2.740 -0.513 13.330 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.083 -2.313 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.360 0.484 12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.246 -0.371 11.462 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.673 0.358 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.188 2.370 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.379 2.420 11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.446 2.026 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.604 0.213 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.879 -0.215 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.100 -1.312 10.038 1.00 0.00 H new ATOM 292 N LEU A 21 -0.083 -1.487 14.961 1.00 0.00 N ATOM 293 CA LEU A 21 0.872 -1.810 16.015 1.00 0.00 C ATOM 294 C LEU A 21 1.094 -3.316 16.106 1.00 0.00 C ATOM 295 O LEU A 21 2.163 -3.772 16.510 1.00 0.00 O ATOM 296 CB LEU A 21 0.379 -1.273 17.360 1.00 0.00 C ATOM 297 CG LEU A 21 0.181 0.241 17.446 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.611 0.605 18.693 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.524 0.956 17.437 1.00 0.00 C ATOM 0 H LEU A 21 -0.845 -0.877 15.255 1.00 0.00 H new ATOM 0 HA LEU A 21 1.822 -1.336 15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.568 -1.757 17.597 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.090 -1.571 18.130 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.386 0.565 16.573 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.742 1.686 18.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.587 0.122 18.658 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.071 0.268 19.578 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.364 2.032 17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.117 0.628 18.291 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.055 0.721 16.515 1.00 0.00 H new ATOM 311 N GLU A 22 0.077 -4.083 15.726 1.00 0.00 N ATOM 312 CA GLU A 22 0.162 -5.538 15.764 1.00 0.00 C ATOM 313 C GLU A 22 0.115 -6.123 14.355 1.00 0.00 C ATOM 314 O GLU A 22 -0.622 -5.641 13.496 1.00 0.00 O ATOM 315 CB GLU A 22 -0.977 -6.116 16.607 1.00 0.00 C ATOM 316 CG GLU A 22 -2.355 -5.647 16.172 1.00 0.00 C ATOM 317 CD GLU A 22 -2.854 -6.369 14.936 1.00 0.00 C ATOM 318 OE1 GLU A 22 -2.530 -7.565 14.777 1.00 0.00 O ATOM 319 OE2 GLU A 22 -3.568 -5.740 14.127 1.00 0.00 O ATOM 0 H GLU A 22 -0.815 -3.721 15.388 1.00 0.00 H new ATOM 0 HA GLU A 22 1.115 -5.809 16.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.940 -7.204 16.555 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.821 -5.841 17.650 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.061 -5.801 16.988 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.324 -4.575 15.975 1.00 0.00 H new ATOM 326 N GLY A 23 0.907 -7.166 14.126 1.00 0.00 N ATOM 327 CA GLY A 23 0.941 -7.799 12.821 1.00 0.00 C ATOM 328 C GLY A 23 1.507 -6.889 11.750 1.00 0.00 C ATOM 329 O GLY A 23 1.707 -5.696 11.981 1.00 0.00 O ATOM 0 H GLY A 23 1.526 -7.584 14.821 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.542 -8.707 12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.068 -8.101 12.541 1.00 0.00 H new ATOM 333 N ASP A 24 1.767 -7.451 10.574 1.00 0.00 N ATOM 334 CA ASP A 24 2.314 -6.682 9.463 1.00 0.00 C ATOM 335 C ASP A 24 1.216 -5.893 8.756 1.00 0.00 C ATOM 336 O ASP A 24 0.152 -6.430 8.447 1.00 0.00 O ATOM 337 CB ASP A 24 3.013 -7.610 8.468 1.00 0.00 C ATOM 338 CG ASP A 24 4.209 -8.316 9.077 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.820 -7.751 10.008 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.534 -9.433 8.622 1.00 0.00 O ATOM 0 H ASP A 24 1.607 -8.437 10.366 1.00 0.00 H new ATOM 0 HA ASP A 24 3.042 -5.977 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.302 -8.353 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.338 -7.032 7.603 1.00 0.00 H new ATOM 345 N TRP A 25 1.481 -4.616 8.504 1.00 0.00 N ATOM 346 CA TRP A 25 0.515 -3.753 7.835 1.00 0.00 C ATOM 347 C TRP A 25 1.205 -2.850 6.818 1.00 0.00 C ATOM 348 O TRP A 25 2.113 -2.094 7.161 1.00 0.00 O ATOM 349 CB TRP A 25 -0.238 -2.904 8.861 1.00 0.00 C ATOM 350 CG TRP A 25 -1.307 -3.661 9.589 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.135 -4.511 10.644 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.712 -3.638 9.314 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.349 -5.018 11.041 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.332 -4.497 10.242 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.506 -2.974 8.376 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.708 -4.708 10.256 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.872 -3.184 8.391 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.462 -4.045 9.326 1.00 0.00 C ATOM 0 H TRP A 25 2.357 -4.156 8.753 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.197 -4.387 7.306 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.473 -2.507 9.585 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.688 -2.050 8.355 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.185 -4.750 11.099 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.495 -5.676 11.807 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.060 -2.308 7.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.164 -5.372 10.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.495 -2.676 7.670 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.532 -4.188 9.312 1.00 0.00 H new ATOM 369 N MET A 26 0.768 -2.935 5.566 1.00 0.00 N ATOM 370 CA MET A 26 1.343 -2.124 4.499 1.00 0.00 C ATOM 371 C MET A 26 0.458 -0.919 4.194 1.00 0.00 C ATOM 372 O MET A 26 -0.653 -1.067 3.685 1.00 0.00 O ATOM 373 CB MET A 26 1.533 -2.965 3.235 1.00 0.00 C ATOM 374 CG MET A 26 2.848 -3.727 3.205 1.00 0.00 C ATOM 375 SD MET A 26 4.276 -2.643 3.020 1.00 0.00 S ATOM 376 CE MET A 26 4.383 -2.525 1.236 1.00 0.00 C ATOM 0 H MET A 26 0.018 -3.557 5.265 1.00 0.00 H new ATOM 0 HA MET A 26 2.315 -1.763 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.709 -3.674 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.480 -2.313 2.363 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.951 -4.303 4.125 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.830 -4.442 2.382 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.930 -1.623 0.963 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.905 -3.398 0.844 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.379 -2.482 0.813 1.00 0.00 H new ATOM 386 N ILE A 27 0.958 0.271 4.510 1.00 0.00 N ATOM 387 CA ILE A 27 0.212 1.500 4.268 1.00 0.00 C ATOM 388 C ILE A 27 0.777 2.260 3.073 1.00 0.00 C ATOM 389 O ILE A 27 1.959 2.141 2.752 1.00 0.00 O ATOM 390 CB ILE A 27 0.229 2.421 5.503 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.183 1.641 6.753 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.691 3.613 5.288 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.178 2.338 8.046 1.00 0.00 C ATOM 0 H ILE A 27 1.875 0.410 4.934 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.817 1.208 4.056 1.00 0.00 H new ATOM 0 HB ILE A 27 1.244 2.792 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.260 1.473 6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.293 0.661 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.668 4.254 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.356 4.179 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.709 3.261 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.144 1.728 8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.257 2.482 8.093 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.319 3.307 8.088 1.00 0.00 H new ATOM 405 N GLU A 28 -0.075 3.044 2.420 1.00 0.00 N ATOM 406 CA GLU A 28 0.340 3.825 1.261 1.00 0.00 C ATOM 407 C GLU A 28 -0.412 5.151 1.201 1.00 0.00 C ATOM 408 O GLU A 28 -1.596 5.192 0.867 1.00 0.00 O ATOM 409 CB GLU A 28 0.103 3.033 -0.027 1.00 0.00 C ATOM 410 CG GLU A 28 -1.289 2.432 -0.124 1.00 0.00 C ATOM 411 CD GLU A 28 -1.741 2.238 -1.559 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.869 2.106 -2.443 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.967 2.220 -1.797 1.00 0.00 O ATOM 0 H GLU A 28 -1.057 3.155 2.674 1.00 0.00 H new ATOM 0 HA GLU A 28 1.405 4.035 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.267 3.689 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.840 2.233 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.303 1.471 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.997 3.080 0.392 1.00 0.00 H new ATOM 420 N PHE A 29 0.285 6.235 1.527 1.00 0.00 N ATOM 421 CA PHE A 29 -0.316 7.563 1.512 1.00 0.00 C ATOM 422 C PHE A 29 -0.438 8.089 0.085 1.00 0.00 C ATOM 423 O PHE A 29 0.565 8.339 -0.584 1.00 0.00 O ATOM 424 CB PHE A 29 0.516 8.532 2.355 1.00 0.00 C ATOM 425 CG PHE A 29 0.369 8.318 3.834 1.00 0.00 C ATOM 426 CD1 PHE A 29 0.915 7.199 4.443 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.315 9.235 4.616 1.00 0.00 C ATOM 428 CE1 PHE A 29 0.782 6.999 5.804 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.451 9.040 5.977 1.00 0.00 C ATOM 430 CZ PHE A 29 0.098 7.921 6.572 1.00 0.00 C ATOM 0 H PHE A 29 1.266 6.219 1.805 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.316 7.487 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.566 8.427 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.224 9.554 2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.451 6.475 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.747 10.112 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.212 6.123 6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.986 9.762 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.007 7.767 7.636 1.00 0.00 H new ATOM 440 N TYR A 30 -1.673 8.253 -0.375 1.00 0.00 N ATOM 441 CA TYR A 30 -1.928 8.745 -1.724 1.00 0.00 C ATOM 442 C TYR A 30 -2.756 10.026 -1.689 1.00 0.00 C ATOM 443 O TYR A 30 -3.286 10.407 -0.646 1.00 0.00 O ATOM 444 CB TYR A 30 -2.649 7.680 -2.551 1.00 0.00 C ATOM 445 CG TYR A 30 -4.135 7.605 -2.277 1.00 0.00 C ATOM 446 CD1 TYR A 30 -5.010 8.534 -2.826 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.662 6.603 -1.471 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.367 8.469 -2.578 1.00 0.00 C ATOM 449 CE2 TYR A 30 -6.019 6.530 -1.219 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.867 7.465 -1.774 1.00 0.00 C ATOM 451 OH TYR A 30 -8.219 7.397 -1.526 1.00 0.00 O ATOM 0 H TYR A 30 -2.514 8.052 0.166 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.968 8.967 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.493 7.887 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.201 6.708 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.623 9.320 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.000 5.869 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.034 9.200 -3.011 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.413 5.745 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.500 8.191 -1.026 1.00 0.00 H new ATOM 461 N ALA A 31 -2.863 10.685 -2.838 1.00 0.00 N ATOM 462 CA ALA A 31 -3.628 11.921 -2.941 1.00 0.00 C ATOM 463 C ALA A 31 -4.311 12.032 -4.300 1.00 0.00 C ATOM 464 O ALA A 31 -3.739 11.701 -5.338 1.00 0.00 O ATOM 465 CB ALA A 31 -2.726 13.123 -2.702 1.00 0.00 C ATOM 0 H ALA A 31 -2.429 10.383 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.402 11.904 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.311 14.039 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.289 13.058 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.930 13.135 -3.447 1.00 0.00 H new ATOM 471 N PRO A 32 -5.565 12.509 -4.295 1.00 0.00 N ATOM 472 CA PRO A 32 -6.353 12.674 -5.520 1.00 0.00 C ATOM 473 C PRO A 32 -5.824 13.800 -6.403 1.00 0.00 C ATOM 474 O PRO A 32 -6.408 14.116 -7.439 1.00 0.00 O ATOM 475 CB PRO A 32 -7.751 13.016 -4.999 1.00 0.00 C ATOM 476 CG PRO A 32 -7.518 13.619 -3.657 1.00 0.00 C ATOM 477 CD PRO A 32 -6.310 12.923 -3.095 1.00 0.00 C ATOM 0 HA PRO A 32 -6.323 11.783 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.261 13.713 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.376 12.126 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.348 14.693 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.385 13.480 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.720 13.589 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.589 12.067 -2.480 1.00 0.00 H new ATOM 485 N TRP A 33 -4.715 14.400 -5.986 1.00 0.00 N ATOM 486 CA TRP A 33 -4.107 15.491 -6.739 1.00 0.00 C ATOM 487 C TRP A 33 -2.663 15.164 -7.101 1.00 0.00 C ATOM 488 O TRP A 33 -2.063 15.818 -7.955 1.00 0.00 O ATOM 489 CB TRP A 33 -4.163 16.789 -5.932 1.00 0.00 C ATOM 490 CG TRP A 33 -4.219 16.566 -4.451 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.341 16.455 -3.681 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.105 16.428 -3.562 1.00 0.00 C ATOM 493 NE1 TRP A 33 -4.992 16.257 -2.367 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.626 16.235 -2.268 1.00 0.00 C ATOM 495 CE3 TRP A 33 -1.718 16.447 -3.734 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.808 16.064 -1.154 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -0.908 16.277 -2.628 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.454 16.087 -1.352 1.00 0.00 C ATOM 0 H TRP A 33 -4.219 14.150 -5.131 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.672 15.621 -7.662 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.287 17.393 -6.168 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.038 17.362 -6.239 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.354 16.514 -4.051 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.644 16.145 -1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.287 16.592 -4.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.227 15.918 -0.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.165 16.291 -2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.793 15.956 -0.508 1.00 0.00 H new ATOM 509 N CYS A 34 -2.109 14.149 -6.446 1.00 0.00 N ATOM 510 CA CYS A 34 -0.733 13.736 -6.699 1.00 0.00 C ATOM 511 C CYS A 34 -0.638 12.916 -7.982 1.00 0.00 C ATOM 512 O CYS A 34 -1.358 11.937 -8.176 1.00 0.00 O ATOM 513 CB CYS A 34 -0.198 12.923 -5.519 1.00 0.00 C ATOM 514 SG CYS A 34 0.654 13.912 -4.268 1.00 0.00 S ATOM 0 H CYS A 34 -2.591 13.597 -5.736 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.126 14.634 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.028 12.397 -5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.488 12.164 -5.896 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.123 14.877 -3.875 1.00 0.00 H new ATOM 520 N PRO A 35 0.269 13.326 -8.880 1.00 0.00 N ATOM 521 CA PRO A 35 0.479 12.644 -10.161 1.00 0.00 C ATOM 522 C PRO A 35 1.124 11.273 -9.989 1.00 0.00 C ATOM 523 O PRO A 35 0.720 10.302 -10.628 1.00 0.00 O ATOM 524 CB PRO A 35 1.420 13.587 -10.915 1.00 0.00 C ATOM 525 CG PRO A 35 2.139 14.337 -9.847 1.00 0.00 C ATOM 526 CD PRO A 35 1.161 14.486 -8.715 1.00 0.00 C ATOM 0 HA PRO A 35 -0.460 12.453 -10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.115 13.032 -11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.866 14.261 -11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.030 13.798 -9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.469 15.311 -10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.662 14.473 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.613 15.426 -8.778 1.00 0.00 H new ATOM 534 N ALA A 36 2.127 11.201 -9.121 1.00 0.00 N ATOM 535 CA ALA A 36 2.826 9.948 -8.863 1.00 0.00 C ATOM 536 C ALA A 36 1.890 8.915 -8.244 1.00 0.00 C ATOM 537 O ALA A 36 1.803 7.781 -8.717 1.00 0.00 O ATOM 538 CB ALA A 36 4.024 10.188 -7.957 1.00 0.00 C ATOM 0 H ALA A 36 2.474 11.996 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 36 3.179 9.555 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.536 9.244 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.710 10.885 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.685 10.608 -7.010 1.00 0.00 H new ATOM 544 N CYS A 37 1.194 9.314 -7.186 1.00 0.00 N ATOM 545 CA CYS A 37 0.265 8.421 -6.501 1.00 0.00 C ATOM 546 C CYS A 37 -0.630 7.697 -7.501 1.00 0.00 C ATOM 547 O CYS A 37 -0.940 6.518 -7.331 1.00 0.00 O ATOM 548 CB CYS A 37 -0.590 9.207 -5.507 1.00 0.00 C ATOM 549 SG CYS A 37 0.352 9.980 -4.171 1.00 0.00 S ATOM 0 H CYS A 37 1.255 10.249 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 37 0.848 7.677 -5.958 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.136 9.981 -6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.332 8.537 -5.073 1.00 0.00 H new ATOM 0 HG CYS A 37 1.461 10.463 -4.646 1.00 0.00 H new ATOM 555 N GLN A 38 -1.045 8.412 -8.542 1.00 0.00 N ATOM 556 CA GLN A 38 -1.907 7.838 -9.568 1.00 0.00 C ATOM 557 C GLN A 38 -1.279 6.584 -10.168 1.00 0.00 C ATOM 558 O GLN A 38 -1.978 5.632 -10.510 1.00 0.00 O ATOM 559 CB GLN A 38 -2.178 8.864 -10.670 1.00 0.00 C ATOM 560 CG GLN A 38 -2.861 10.127 -10.170 1.00 0.00 C ATOM 561 CD GLN A 38 -2.554 11.337 -11.031 1.00 0.00 C ATOM 562 OE1 GLN A 38 -1.864 11.232 -12.045 1.00 0.00 O ATOM 563 NE2 GLN A 38 -3.066 12.494 -10.630 1.00 0.00 N ATOM 0 H GLN A 38 -0.798 9.389 -8.697 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.851 7.561 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.234 9.134 -11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.800 8.404 -11.438 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.939 9.967 -10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.545 10.325 -9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.632 12.535 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.893 13.342 -11.169 1.00 0.00 H new ATOM 572 N ASN A 39 0.044 6.593 -10.293 1.00 0.00 N ATOM 573 CA ASN A 39 0.766 5.456 -10.853 1.00 0.00 C ATOM 574 C ASN A 39 0.797 4.292 -9.866 1.00 0.00 C ATOM 575 O ASN A 39 0.960 3.136 -10.259 1.00 0.00 O ATOM 576 CB ASN A 39 2.193 5.864 -11.222 1.00 0.00 C ATOM 577 CG ASN A 39 2.281 6.464 -12.612 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.332 6.393 -13.393 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.426 7.059 -12.928 1.00 0.00 N ATOM 0 H ASN A 39 0.638 7.374 -10.014 1.00 0.00 H new ATOM 0 HA ASN A 39 0.243 5.132 -11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.562 6.586 -10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.844 4.992 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.545 7.480 -13.849 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.187 7.095 -12.249 1.00 0.00 H new ATOM 586 N LEU A 40 0.639 4.605 -8.585 1.00 0.00 N ATOM 587 CA LEU A 40 0.648 3.586 -7.542 1.00 0.00 C ATOM 588 C LEU A 40 -0.758 3.050 -7.292 1.00 0.00 C ATOM 589 O LEU A 40 -0.937 1.871 -6.987 1.00 0.00 O ATOM 590 CB LEU A 40 1.225 4.159 -6.246 1.00 0.00 C ATOM 591 CG LEU A 40 1.264 3.208 -5.050 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.376 2.185 -5.217 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.443 3.987 -3.755 1.00 0.00 C ATOM 0 H LEU A 40 0.503 5.557 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 40 1.277 2.762 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.240 4.502 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.640 5.036 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 40 0.314 2.676 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.388 1.517 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.204 1.605 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.335 2.698 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.469 3.294 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.378 4.546 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.611 4.680 -3.629 1.00 0.00 H new ATOM 605 N GLN A 41 -1.751 3.923 -7.425 1.00 0.00 N ATOM 606 CA GLN A 41 -3.141 3.536 -7.215 1.00 0.00 C ATOM 607 C GLN A 41 -3.397 2.125 -7.733 1.00 0.00 C ATOM 608 O GLN A 41 -3.846 1.241 -7.002 1.00 0.00 O ATOM 609 CB GLN A 41 -4.078 4.525 -7.911 1.00 0.00 C ATOM 610 CG GLN A 41 -4.516 5.677 -7.021 1.00 0.00 C ATOM 611 CD GLN A 41 -4.884 5.226 -5.621 1.00 0.00 C ATOM 612 OE1 GLN A 41 -3.898 5.190 -4.732 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.041 4.913 -5.341 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.619 4.903 -7.677 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.338 3.551 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.579 4.927 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.961 3.991 -8.261 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.713 6.412 -6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.372 6.176 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.768 4.955 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.273 4.611 -4.395 1.00 0.00 H new ATOM 622 N PRO A 42 -3.106 1.905 -9.024 1.00 0.00 N ATOM 623 CA PRO A 42 -3.297 0.602 -9.668 1.00 0.00 C ATOM 624 C PRO A 42 -2.307 -0.443 -9.166 1.00 0.00 C ATOM 625 O PRO A 42 -2.687 -1.573 -8.859 1.00 0.00 O ATOM 626 CB PRO A 42 -3.055 0.900 -11.150 1.00 0.00 C ATOM 627 CG PRO A 42 -2.171 2.100 -11.155 1.00 0.00 C ATOM 628 CD PRO A 42 -2.568 2.912 -9.954 1.00 0.00 C ATOM 0 HA PRO A 42 -4.282 0.184 -9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.580 0.056 -11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.991 1.096 -11.673 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.121 1.812 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.297 2.674 -12.073 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.716 3.439 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.315 3.665 -10.207 1.00 0.00 H new ATOM 636 N GLU A 43 -1.038 -0.058 -9.084 1.00 0.00 N ATOM 637 CA GLU A 43 0.006 -0.964 -8.619 1.00 0.00 C ATOM 638 C GLU A 43 -0.379 -1.599 -7.286 1.00 0.00 C ATOM 639 O GLU A 43 -0.137 -2.785 -7.058 1.00 0.00 O ATOM 640 CB GLU A 43 1.334 -0.217 -8.475 1.00 0.00 C ATOM 641 CG GLU A 43 2.190 -0.251 -9.730 1.00 0.00 C ATOM 642 CD GLU A 43 2.794 -1.618 -9.987 1.00 0.00 C ATOM 643 OE1 GLU A 43 2.095 -2.627 -9.761 1.00 0.00 O ATOM 644 OE2 GLU A 43 3.966 -1.678 -10.414 1.00 0.00 O ATOM 0 H GLU A 43 -0.708 0.874 -9.333 1.00 0.00 H new ATOM 0 HA GLU A 43 0.121 -1.755 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.131 0.821 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.898 -0.651 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.583 0.041 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.990 0.484 -9.640 1.00 0.00 H new ATOM 651 N TRP A 44 -0.979 -0.802 -6.409 1.00 0.00 N ATOM 652 CA TRP A 44 -1.398 -1.286 -5.098 1.00 0.00 C ATOM 653 C TRP A 44 -2.419 -2.410 -5.233 1.00 0.00 C ATOM 654 O TRP A 44 -2.268 -3.472 -4.631 1.00 0.00 O ATOM 655 CB TRP A 44 -1.988 -0.141 -4.274 1.00 0.00 C ATOM 656 CG TRP A 44 -1.851 -0.342 -2.795 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.864 -0.428 -1.883 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.632 -0.480 -2.057 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.348 -0.611 -0.623 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.981 -0.648 -0.703 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.720 -0.481 -2.410 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.026 -0.813 0.296 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.667 -0.644 -1.416 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.291 -0.809 -0.077 1.00 0.00 C ATOM 0 H TRP A 44 -1.186 0.182 -6.582 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.520 -1.678 -4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.495 0.790 -4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.044 -0.030 -4.522 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.916 -0.362 -2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.894 -0.704 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.020 -0.357 -3.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.314 -0.940 1.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.715 -0.644 -1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.055 -0.936 0.676 1.00 0.00 H new ATOM 675 N GLU A 45 -3.457 -2.169 -6.028 1.00 0.00 N ATOM 676 CA GLU A 45 -4.503 -3.162 -6.240 1.00 0.00 C ATOM 677 C GLU A 45 -3.903 -4.508 -6.637 1.00 0.00 C ATOM 678 O GLU A 45 -4.232 -5.542 -6.057 1.00 0.00 O ATOM 679 CB GLU A 45 -5.477 -2.687 -7.320 1.00 0.00 C ATOM 680 CG GLU A 45 -6.491 -1.671 -6.821 1.00 0.00 C ATOM 681 CD GLU A 45 -7.806 -1.742 -7.572 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.774 -1.912 -8.809 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.867 -1.627 -6.924 1.00 0.00 O ATOM 0 H GLU A 45 -3.596 -1.295 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.045 -3.287 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.910 -2.249 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.008 -3.549 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.674 -1.837 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.074 -0.669 -6.920 1.00 0.00 H new ATOM 690 N SER A 46 -3.020 -4.485 -7.630 1.00 0.00 N ATOM 691 CA SER A 46 -2.376 -5.703 -8.109 1.00 0.00 C ATOM 692 C SER A 46 -1.470 -6.296 -7.035 1.00 0.00 C ATOM 693 O SER A 46 -1.099 -7.469 -7.098 1.00 0.00 O ATOM 694 CB SER A 46 -1.565 -5.413 -9.374 1.00 0.00 C ATOM 695 OG SER A 46 -2.405 -5.335 -10.512 1.00 0.00 O ATOM 0 H SER A 46 -2.734 -3.637 -8.119 1.00 0.00 H new ATOM 0 HA SER A 46 -3.155 -6.428 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.022 -4.476 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.821 -6.196 -9.520 1.00 0.00 H new ATOM 0 HG SER A 46 -1.863 -5.147 -11.307 1.00 0.00 H new ATOM 701 N PHE A 47 -1.117 -5.478 -6.049 1.00 0.00 N ATOM 702 CA PHE A 47 -0.254 -5.921 -4.960 1.00 0.00 C ATOM 703 C PHE A 47 -1.065 -6.616 -3.870 1.00 0.00 C ATOM 704 O PHE A 47 -0.823 -7.778 -3.547 1.00 0.00 O ATOM 705 CB PHE A 47 0.505 -4.732 -4.367 1.00 0.00 C ATOM 706 CG PHE A 47 0.892 -4.925 -2.929 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.210 -6.184 -2.446 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.937 -3.847 -2.059 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.567 -6.364 -1.123 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.293 -4.021 -0.736 1.00 0.00 C ATOM 711 CZ PHE A 47 1.608 -5.282 -0.266 1.00 0.00 C ATOM 0 H PHE A 47 -1.415 -4.505 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 47 0.462 -6.635 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.405 -4.555 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.113 -3.838 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.179 -7.034 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.691 -2.859 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.814 -7.351 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.325 -3.172 -0.069 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.885 -5.421 0.769 1.00 0.00 H new ATOM 721 N ALA A 48 -2.029 -5.894 -3.308 1.00 0.00 N ATOM 722 CA ALA A 48 -2.877 -6.440 -2.256 1.00 0.00 C ATOM 723 C ALA A 48 -3.414 -7.814 -2.641 1.00 0.00 C ATOM 724 O ALA A 48 -3.804 -8.602 -1.780 1.00 0.00 O ATOM 725 CB ALA A 48 -4.025 -5.488 -1.956 1.00 0.00 C ATOM 0 H ALA A 48 -2.242 -4.930 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.270 -6.555 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.650 -5.909 -1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.626 -4.528 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.623 -5.344 -2.856 1.00 0.00 H new ATOM 731 N GLU A 49 -3.431 -8.094 -3.941 1.00 0.00 N ATOM 732 CA GLU A 49 -3.922 -9.374 -4.439 1.00 0.00 C ATOM 733 C GLU A 49 -3.193 -10.535 -3.769 1.00 0.00 C ATOM 734 O GLU A 49 -3.812 -11.381 -3.124 1.00 0.00 O ATOM 735 CB GLU A 49 -3.748 -9.456 -5.957 1.00 0.00 C ATOM 736 CG GLU A 49 -4.851 -8.757 -6.734 1.00 0.00 C ATOM 737 CD GLU A 49 -6.012 -9.678 -7.056 1.00 0.00 C ATOM 738 OE1 GLU A 49 -5.840 -10.570 -7.913 1.00 0.00 O ATOM 739 OE2 GLU A 49 -7.091 -9.507 -6.452 1.00 0.00 O ATOM 0 H GLU A 49 -3.111 -7.453 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.982 -9.446 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.789 -9.016 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.714 -10.504 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.215 -7.908 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.440 -8.358 -7.662 1.00 0.00 H new ATOM 746 N TRP A 50 -1.875 -10.568 -3.928 1.00 0.00 N ATOM 747 CA TRP A 50 -1.061 -11.625 -3.339 1.00 0.00 C ATOM 748 C TRP A 50 -0.596 -11.239 -1.939 1.00 0.00 C ATOM 749 O TRP A 50 -0.222 -12.096 -1.141 1.00 0.00 O ATOM 750 CB TRP A 50 0.149 -11.920 -4.228 1.00 0.00 C ATOM 751 CG TRP A 50 0.942 -10.698 -4.578 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.020 -10.094 -5.801 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.769 -9.931 -3.696 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.847 -8.999 -5.732 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.318 -8.877 -4.451 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.098 -10.032 -2.341 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.177 -7.933 -3.896 1.00 0.00 C ATOM 758 CZ3 TRP A 50 2.951 -9.094 -1.792 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.482 -8.055 -2.567 1.00 0.00 C ATOM 0 H TRP A 50 -1.347 -9.876 -4.459 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.675 -12.522 -3.263 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.799 -12.633 -3.720 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.192 -12.398 -5.146 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.507 -10.428 -6.691 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.074 -8.378 -6.508 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.693 -10.829 -1.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.588 -7.132 -4.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.213 -9.163 -0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.145 -7.337 -2.107 1.00 0.00 H new ATOM 770 N GLY A 51 -0.622 -9.942 -1.648 1.00 0.00 N ATOM 771 CA GLY A 51 -0.201 -9.465 -0.344 1.00 0.00 C ATOM 772 C GLY A 51 -0.604 -10.406 0.775 1.00 0.00 C ATOM 773 O GLY A 51 0.237 -11.105 1.339 1.00 0.00 O ATOM 0 H GLY A 51 -0.927 -9.213 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.882 -9.341 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.636 -8.482 -0.162 1.00 0.00 H new ATOM 777 N GLU A 52 -1.893 -10.423 1.097 1.00 0.00 N ATOM 778 CA GLU A 52 -2.404 -11.283 2.157 1.00 0.00 C ATOM 779 C GLU A 52 -1.860 -12.702 2.016 1.00 0.00 C ATOM 780 O GLU A 52 -1.584 -13.374 3.010 1.00 0.00 O ATOM 781 CB GLU A 52 -3.934 -11.307 2.133 1.00 0.00 C ATOM 782 CG GLU A 52 -4.513 -12.027 0.926 1.00 0.00 C ATOM 783 CD GLU A 52 -6.021 -11.901 0.840 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.690 -12.067 1.882 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.533 -11.638 -0.268 1.00 0.00 O ATOM 0 H GLU A 52 -2.602 -9.851 0.639 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.069 -10.877 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.296 -11.789 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.305 -10.282 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.066 -11.623 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.242 -13.082 0.972 1.00 0.00 H new ATOM 792 N ASP A 53 -1.711 -13.151 0.775 1.00 0.00 N ATOM 793 CA ASP A 53 -1.200 -14.489 0.502 1.00 0.00 C ATOM 794 C ASP A 53 0.144 -14.708 1.189 1.00 0.00 C ATOM 795 O ASP A 53 0.420 -15.792 1.706 1.00 0.00 O ATOM 796 CB ASP A 53 -1.057 -14.707 -1.006 1.00 0.00 C ATOM 797 CG ASP A 53 -1.249 -16.157 -1.402 1.00 0.00 C ATOM 798 OD1 ASP A 53 -1.099 -17.036 -0.528 1.00 0.00 O ATOM 799 OD2 ASP A 53 -1.550 -16.413 -2.586 1.00 0.00 O ATOM 0 H ASP A 53 -1.937 -12.608 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.913 -15.211 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.787 -14.091 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.070 -14.374 -1.326 1.00 0.00 H new ATOM 804 N LEU A 54 0.978 -13.674 1.191 1.00 0.00 N ATOM 805 CA LEU A 54 2.294 -13.753 1.814 1.00 0.00 C ATOM 806 C LEU A 54 2.215 -13.417 3.300 1.00 0.00 C ATOM 807 O LEU A 54 3.217 -13.064 3.920 1.00 0.00 O ATOM 808 CB LEU A 54 3.269 -12.802 1.116 1.00 0.00 C ATOM 809 CG LEU A 54 3.357 -12.930 -0.405 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.166 -11.783 -0.991 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.967 -14.269 -0.794 1.00 0.00 C ATOM 0 H LEU A 54 0.766 -12.771 0.768 1.00 0.00 H new ATOM 0 HA LEU A 54 2.656 -14.776 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.984 -11.778 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.263 -12.963 1.532 1.00 0.00 H new ATOM 0 HG LEU A 54 2.348 -12.882 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.218 -11.891 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.687 -10.836 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.174 -11.799 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.022 -14.342 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.970 -14.348 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.347 -15.078 -0.407 1.00 0.00 H new ATOM 823 N GLU A 55 1.016 -13.531 3.864 1.00 0.00 N ATOM 824 CA GLU A 55 0.807 -13.240 5.278 1.00 0.00 C ATOM 825 C GLU A 55 1.117 -11.778 5.584 1.00 0.00 C ATOM 826 O GLU A 55 1.929 -11.474 6.458 1.00 0.00 O ATOM 827 CB GLU A 55 1.681 -14.151 6.143 1.00 0.00 C ATOM 828 CG GLU A 55 1.272 -15.613 6.094 1.00 0.00 C ATOM 829 CD GLU A 55 -0.019 -15.883 6.842 1.00 0.00 C ATOM 830 OE1 GLU A 55 -1.098 -15.768 6.224 1.00 0.00 O ATOM 831 OE2 GLU A 55 0.050 -16.208 8.046 1.00 0.00 O ATOM 0 H GLU A 55 0.176 -13.822 3.364 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.241 -13.427 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.717 -14.061 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.640 -13.806 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.156 -15.919 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.068 -16.224 6.519 1.00 0.00 H new ATOM 838 N VAL A 56 0.464 -10.876 4.858 1.00 0.00 N ATOM 839 CA VAL A 56 0.668 -9.446 5.051 1.00 0.00 C ATOM 840 C VAL A 56 -0.589 -8.658 4.699 1.00 0.00 C ATOM 841 O VAL A 56 -1.169 -8.843 3.630 1.00 0.00 O ATOM 842 CB VAL A 56 1.842 -8.926 4.199 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.363 -8.540 2.809 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.517 -7.748 4.886 1.00 0.00 C ATOM 0 H VAL A 56 -0.211 -11.111 4.130 1.00 0.00 H new ATOM 0 HA VAL A 56 0.901 -9.300 6.106 1.00 0.00 H new ATOM 0 HB VAL A 56 2.575 -9.726 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.206 -8.175 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.929 -9.412 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.610 -7.756 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.344 -7.393 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.794 -6.943 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.897 -8.063 5.858 1.00 0.00 H new ATOM 854 N ASN A 57 -1.003 -7.779 5.605 1.00 0.00 N ATOM 855 CA ASN A 57 -2.192 -6.963 5.390 1.00 0.00 C ATOM 856 C ASN A 57 -1.849 -5.695 4.613 1.00 0.00 C ATOM 857 O ASN A 57 -0.754 -5.148 4.751 1.00 0.00 O ATOM 858 CB ASN A 57 -2.834 -6.595 6.730 1.00 0.00 C ATOM 859 CG ASN A 57 -3.069 -7.808 7.610 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.062 -8.519 7.453 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.154 -8.049 8.542 1.00 0.00 N ATOM 0 H ASN A 57 -0.533 -7.613 6.495 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.901 -7.547 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.193 -5.887 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.783 -6.091 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.258 -8.851 9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.347 -7.432 8.636 1.00 0.00 H new ATOM 868 N ILE A 58 -2.791 -5.234 3.798 1.00 0.00 N ATOM 869 CA ILE A 58 -2.589 -4.030 3.001 1.00 0.00 C ATOM 870 C ILE A 58 -3.716 -3.028 3.224 1.00 0.00 C ATOM 871 O ILE A 58 -4.877 -3.407 3.374 1.00 0.00 O ATOM 872 CB ILE A 58 -2.498 -4.358 1.499 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.342 -5.325 1.235 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.324 -3.083 0.688 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.708 -6.777 1.452 1.00 0.00 C ATOM 0 H ILE A 58 -3.702 -5.676 3.672 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.646 -3.591 3.326 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.427 -4.838 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.997 -5.195 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.507 -5.068 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.261 -3.331 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.177 -2.425 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.409 -2.577 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.841 -7.405 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.025 -6.922 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.522 -7.051 0.781 1.00 0.00 H new ATOM 887 N ALA A 59 -3.366 -1.746 3.242 1.00 0.00 N ATOM 888 CA ALA A 59 -4.348 -0.688 3.442 1.00 0.00 C ATOM 889 C ALA A 59 -3.923 0.596 2.738 1.00 0.00 C ATOM 890 O ALA A 59 -2.791 0.715 2.270 1.00 0.00 O ATOM 891 CB ALA A 59 -4.555 -0.434 4.928 1.00 0.00 C ATOM 0 H ALA A 59 -2.409 -1.415 3.120 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.292 -1.015 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.291 0.359 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.912 -1.346 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.610 -0.133 5.381 1.00 0.00 H new ATOM 897 N LYS A 60 -4.839 1.556 2.665 1.00 0.00 N ATOM 898 CA LYS A 60 -4.560 2.833 2.019 1.00 0.00 C ATOM 899 C LYS A 60 -5.092 3.994 2.854 1.00 0.00 C ATOM 900 O LYS A 60 -6.182 3.915 3.421 1.00 0.00 O ATOM 901 CB LYS A 60 -5.184 2.868 0.622 1.00 0.00 C ATOM 902 CG LYS A 60 -6.684 3.110 0.632 1.00 0.00 C ATOM 903 CD LYS A 60 -7.298 2.860 -0.735 1.00 0.00 C ATOM 904 CE LYS A 60 -8.776 2.516 -0.628 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.502 2.787 -1.900 1.00 0.00 N ATOM 0 H LYS A 60 -5.782 1.474 3.046 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.479 2.938 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.702 3.651 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.980 1.923 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.154 2.457 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.886 4.136 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.174 3.746 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.769 2.045 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.886 1.464 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.226 3.096 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.506 2.540 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.419 3.796 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.089 2.215 -2.664 1.00 0.00 H new ATOM 919 N VAL A 61 -4.316 5.070 2.924 1.00 0.00 N ATOM 920 CA VAL A 61 -4.710 6.248 3.687 1.00 0.00 C ATOM 921 C VAL A 61 -4.888 7.459 2.778 1.00 0.00 C ATOM 922 O VAL A 61 -4.209 7.587 1.759 1.00 0.00 O ATOM 923 CB VAL A 61 -3.672 6.585 4.775 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.949 7.958 5.370 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.670 5.517 5.858 1.00 0.00 C ATOM 0 H VAL A 61 -3.410 5.151 2.461 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.662 6.012 4.163 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.684 6.607 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.206 8.179 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.896 8.712 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.944 7.968 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.931 5.771 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.658 5.461 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.420 4.552 5.417 1.00 0.00 H new ATOM 935 N ASP A 62 -5.804 8.344 3.153 1.00 0.00 N ATOM 936 CA ASP A 62 -6.071 9.546 2.372 1.00 0.00 C ATOM 937 C ASP A 62 -5.616 10.794 3.122 1.00 0.00 C ATOM 938 O ASP A 62 -6.043 11.043 4.250 1.00 0.00 O ATOM 939 CB ASP A 62 -7.561 9.647 2.044 1.00 0.00 C ATOM 940 CG ASP A 62 -7.819 10.369 0.736 1.00 0.00 C ATOM 941 OD1 ASP A 62 -6.948 11.157 0.311 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.891 10.145 0.137 1.00 0.00 O ATOM 0 H ASP A 62 -6.375 8.252 3.993 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.507 9.478 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.987 8.645 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.073 10.170 2.852 1.00 0.00 H new ATOM 947 N VAL A 63 -4.747 11.576 2.490 1.00 0.00 N ATOM 948 CA VAL A 63 -4.235 12.798 3.097 1.00 0.00 C ATOM 949 C VAL A 63 -5.198 13.961 2.888 1.00 0.00 C ATOM 950 O VAL A 63 -4.791 15.124 2.873 1.00 0.00 O ATOM 951 CB VAL A 63 -2.857 13.176 2.521 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.853 12.059 2.760 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.970 13.495 1.038 1.00 0.00 C ATOM 0 H VAL A 63 -4.383 11.384 1.557 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.133 12.603 4.164 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.500 14.068 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.886 12.344 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.752 11.884 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.201 11.147 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.988 13.760 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.349 12.622 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.654 14.332 0.897 1.00 0.00 H new ATOM 963 N THR A 64 -6.478 13.641 2.728 1.00 0.00 N ATOM 964 CA THR A 64 -7.500 14.659 2.519 1.00 0.00 C ATOM 965 C THR A 64 -8.669 14.469 3.478 1.00 0.00 C ATOM 966 O THR A 64 -9.295 15.437 3.908 1.00 0.00 O ATOM 967 CB THR A 64 -8.028 14.636 1.072 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.670 13.384 0.805 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.897 14.854 0.080 1.00 0.00 C ATOM 0 H THR A 64 -6.832 12.684 2.739 1.00 0.00 H new ATOM 0 HA THR A 64 -7.030 15.623 2.711 1.00 0.00 H new ATOM 0 HB THR A 64 -8.750 15.445 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.004 13.378 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.294 14.834 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.430 15.821 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.155 14.064 0.195 1.00 0.00 H new ATOM 977 N GLU A 65 -8.958 13.214 3.810 1.00 0.00 N ATOM 978 CA GLU A 65 -10.054 12.899 4.720 1.00 0.00 C ATOM 979 C GLU A 65 -9.530 12.613 6.124 1.00 0.00 C ATOM 980 O GLU A 65 -10.227 12.837 7.114 1.00 0.00 O ATOM 981 CB GLU A 65 -10.844 11.694 4.203 1.00 0.00 C ATOM 982 CG GLU A 65 -11.945 12.063 3.224 1.00 0.00 C ATOM 983 CD GLU A 65 -12.921 10.926 2.989 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.172 10.155 3.938 1.00 0.00 O ATOM 985 OE2 GLU A 65 -13.434 10.809 1.856 1.00 0.00 O ATOM 0 H GLU A 65 -8.450 12.401 3.463 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.714 13.765 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.157 11.000 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.284 11.168 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.487 12.930 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.498 12.356 2.274 1.00 0.00 H new ATOM 992 N GLN A 66 -8.299 12.118 6.201 1.00 0.00 N ATOM 993 CA GLN A 66 -7.683 11.801 7.484 1.00 0.00 C ATOM 994 C GLN A 66 -6.578 12.798 7.818 1.00 0.00 C ATOM 995 O GLN A 66 -5.393 12.545 7.601 1.00 0.00 O ATOM 996 CB GLN A 66 -7.115 10.381 7.463 1.00 0.00 C ATOM 997 CG GLN A 66 -8.177 9.303 7.323 1.00 0.00 C ATOM 998 CD GLN A 66 -9.198 9.339 8.443 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.850 9.529 9.609 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.466 9.158 8.095 1.00 0.00 N ATOM 0 H GLN A 66 -7.709 11.928 5.391 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.452 11.866 8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.409 10.293 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.554 10.209 8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.687 9.423 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.696 8.325 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.709 9.004 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.197 9.173 8.806 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.973 13.960 8.360 1.00 0.00 N ATOM 1010 CA PRO A 67 -6.032 15.018 8.736 1.00 0.00 C ATOM 1011 C PRO A 67 -5.179 14.635 9.940 1.00 0.00 C ATOM 1012 O PRO A 67 -4.221 15.328 10.281 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.944 16.198 9.081 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.236 15.574 9.480 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.369 14.329 8.647 1.00 0.00 C ATOM 0 HA PRO A 67 -5.319 15.231 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.527 16.797 9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.072 16.862 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.242 15.335 10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.069 16.254 9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.891 13.538 9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.932 14.516 7.732 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.533 13.525 10.581 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.789 13.068 11.741 1.00 0.00 C ATOM 1025 C GLY A 68 -3.624 12.174 11.366 1.00 0.00 C ATOM 1026 O GLY A 68 -2.478 12.454 11.721 1.00 0.00 O ATOM 0 H GLY A 68 -6.322 12.934 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.418 13.931 12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.459 12.526 12.408 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.916 11.094 10.650 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.883 10.153 10.229 1.00 0.00 C ATOM 1032 C LEU A 69 -1.698 10.887 9.609 1.00 0.00 C ATOM 1033 O LEU A 69 -0.544 10.597 9.921 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.457 9.150 9.227 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.274 8.002 9.820 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.022 7.257 8.724 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.373 7.051 10.593 1.00 0.00 C ATOM 0 H LEU A 69 -4.859 10.848 10.349 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.533 9.617 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.087 9.692 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.632 8.725 8.656 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.006 8.421 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.598 6.443 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.697 7.944 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.308 6.850 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.971 6.240 11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.618 6.639 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.883 7.592 11.403 1.00 0.00 H new ATOM 1049 N SER A 70 -1.993 11.840 8.731 1.00 0.00 N ATOM 1050 CA SER A 70 -0.952 12.615 8.066 1.00 0.00 C ATOM 1051 C SER A 70 0.057 13.151 9.077 1.00 0.00 C ATOM 1052 O SER A 70 1.262 13.141 8.834 1.00 0.00 O ATOM 1053 CB SER A 70 -1.571 13.775 7.283 1.00 0.00 C ATOM 1054 OG SER A 70 -0.737 14.166 6.206 1.00 0.00 O ATOM 0 H SER A 70 -2.944 12.094 8.464 1.00 0.00 H new ATOM 0 HA SER A 70 -0.430 11.955 7.373 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.548 13.480 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.732 14.623 7.949 1.00 0.00 H new ATOM 0 HG SER A 70 -1.156 14.907 5.721 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.447 13.618 10.216 1.00 0.00 N ATOM 1061 CA GLY A 71 0.422 14.152 11.248 1.00 0.00 C ATOM 1062 C GLY A 71 0.979 13.070 12.152 1.00 0.00 C ATOM 1063 O GLY A 71 2.070 13.215 12.704 1.00 0.00 O ATOM 0 H GLY A 71 -1.442 13.636 10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.246 14.692 10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.132 14.873 11.848 1.00 0.00 H new ATOM 1067 N ARG A 72 0.229 11.985 12.306 1.00 0.00 N ATOM 1068 CA ARG A 72 0.653 10.876 13.152 1.00 0.00 C ATOM 1069 C ARG A 72 1.791 10.097 12.498 1.00 0.00 C ATOM 1070 O ARG A 72 2.408 9.235 13.125 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.525 9.941 13.433 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.428 9.223 14.769 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.802 8.856 15.306 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.455 9.988 15.959 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.310 10.798 15.344 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.615 10.601 14.069 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -3.863 11.806 16.006 1.00 0.00 N ATOM 0 H ARG A 72 -0.676 11.850 11.856 1.00 0.00 H new ATOM 0 HA ARG A 72 1.013 11.288 14.095 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.450 10.517 13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.588 9.200 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.172 8.320 14.655 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.087 9.859 15.489 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.428 8.499 14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.706 8.034 16.016 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.243 10.166 16.941 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.193 9.826 13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.272 11.224 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.632 11.959 16.988 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.519 12.428 15.533 1.00 0.00 H new ATOM 1091 N PHE A 73 2.062 10.406 11.234 1.00 0.00 N ATOM 1092 CA PHE A 73 3.124 9.734 10.495 1.00 0.00 C ATOM 1093 C PHE A 73 4.192 10.730 10.051 1.00 0.00 C ATOM 1094 O PHE A 73 5.312 10.345 9.713 1.00 0.00 O ATOM 1095 CB PHE A 73 2.547 9.011 9.276 1.00 0.00 C ATOM 1096 CG PHE A 73 2.105 7.605 9.566 1.00 0.00 C ATOM 1097 CD1 PHE A 73 0.811 7.345 9.988 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.984 6.544 9.417 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.403 6.052 10.256 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.581 5.249 9.683 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.288 5.003 10.103 1.00 0.00 C ATOM 0 H PHE A 73 1.561 11.117 10.701 1.00 0.00 H new ATOM 0 HA PHE A 73 3.587 9.003 11.157 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.698 9.579 8.895 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.298 8.992 8.486 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.114 8.161 10.109 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.996 6.731 9.089 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.608 5.862 10.585 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.276 4.431 9.563 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.970 3.992 10.311 1.00 0.00 H new ATOM 1111 N ILE A 74 3.836 12.010 10.055 1.00 0.00 N ATOM 1112 CA ILE A 74 4.763 13.061 9.654 1.00 0.00 C ATOM 1113 C ILE A 74 5.117 12.947 8.175 1.00 0.00 C ATOM 1114 O ILE A 74 6.291 12.885 7.810 1.00 0.00 O ATOM 1115 CB ILE A 74 6.059 13.015 10.484 1.00 0.00 C ATOM 1116 CG1 ILE A 74 5.732 12.883 11.973 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.896 14.260 10.229 1.00 0.00 C ATOM 1118 CD1 ILE A 74 5.596 11.449 12.436 1.00 0.00 C ATOM 0 H ILE A 74 2.913 12.344 10.331 1.00 0.00 H new ATOM 0 HA ILE A 74 4.259 14.011 9.833 1.00 0.00 H new ATOM 0 HB ILE A 74 6.638 12.143 10.179 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.515 13.371 12.553 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.803 13.413 12.181 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.809 14.213 10.823 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.154 14.315 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.326 15.146 10.510 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.364 11.431 13.501 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.794 10.962 11.882 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.532 10.919 12.260 1.00 0.00 H new ATOM 1130 N ILE A 75 4.093 12.922 7.328 1.00 0.00 N ATOM 1131 CA ILE A 75 4.296 12.819 5.888 1.00 0.00 C ATOM 1132 C ILE A 75 4.795 14.138 5.307 1.00 0.00 C ATOM 1133 O ILE A 75 4.343 15.212 5.701 1.00 0.00 O ATOM 1134 CB ILE A 75 2.999 12.411 5.165 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.479 11.081 5.714 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.236 12.315 3.665 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.439 9.929 5.516 1.00 0.00 C ATOM 0 H ILE A 75 3.115 12.972 7.614 1.00 0.00 H new ATOM 0 HA ILE A 75 5.049 12.047 5.730 1.00 0.00 H new ATOM 0 HB ILE A 75 2.244 13.176 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.273 11.192 6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.533 10.842 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.310 12.026 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.564 13.283 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.004 11.568 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.005 9.019 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.627 9.791 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.378 10.146 6.025 1.00 0.00 H new ATOM 1149 N ASN A 76 5.730 14.048 4.367 1.00 0.00 N ATOM 1150 CA ASN A 76 6.290 15.234 3.730 1.00 0.00 C ATOM 1151 C ASN A 76 6.007 15.232 2.231 1.00 0.00 C ATOM 1152 O ASN A 76 5.559 16.233 1.673 1.00 0.00 O ATOM 1153 CB ASN A 76 7.799 15.305 3.975 1.00 0.00 C ATOM 1154 CG ASN A 76 8.137 15.544 5.434 1.00 0.00 C ATOM 1155 OD1 ASN A 76 7.688 16.521 6.035 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.934 14.652 6.011 1.00 0.00 N ATOM 0 H ASN A 76 6.116 13.166 4.030 1.00 0.00 H new ATOM 0 HA ASN A 76 5.815 16.111 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.262 14.375 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.225 16.105 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.197 14.761 6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.283 13.857 5.475 1.00 0.00 H new ATOM 1163 N ALA A 77 6.270 14.101 1.586 1.00 0.00 N ATOM 1164 CA ALA A 77 6.041 13.967 0.153 1.00 0.00 C ATOM 1165 C ALA A 77 5.153 12.765 -0.152 1.00 0.00 C ATOM 1166 O ALA A 77 4.905 11.928 0.717 1.00 0.00 O ATOM 1167 CB ALA A 77 7.366 13.847 -0.585 1.00 0.00 C ATOM 0 H ALA A 77 6.642 13.263 2.034 1.00 0.00 H new ATOM 0 HA ALA A 77 5.525 14.863 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.179 13.748 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.966 14.739 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.903 12.969 -0.227 1.00 0.00 H new ATOM 1173 N LEU A 78 4.675 12.687 -1.389 1.00 0.00 N ATOM 1174 CA LEU A 78 3.813 11.587 -1.808 1.00 0.00 C ATOM 1175 C LEU A 78 4.093 11.197 -3.256 1.00 0.00 C ATOM 1176 O LEU A 78 4.528 12.011 -4.071 1.00 0.00 O ATOM 1177 CB LEU A 78 2.343 11.976 -1.648 1.00 0.00 C ATOM 1178 CG LEU A 78 1.886 12.301 -0.225 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.627 13.153 -0.251 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.650 11.022 0.565 1.00 0.00 C ATOM 0 H LEU A 78 4.870 13.372 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 78 4.026 10.728 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.147 12.843 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.728 11.160 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 78 2.675 12.869 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.316 13.374 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.829 14.085 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.168 12.611 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.325 11.273 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.880 10.428 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.575 10.448 0.613 1.00 0.00 H new ATOM 1192 N PRO A 79 3.837 9.923 -3.586 1.00 0.00 N ATOM 1193 CA PRO A 79 3.320 8.945 -2.624 1.00 0.00 C ATOM 1194 C PRO A 79 4.354 8.566 -1.570 1.00 0.00 C ATOM 1195 O PRO A 79 5.529 8.919 -1.682 1.00 0.00 O ATOM 1196 CB PRO A 79 2.979 7.735 -3.498 1.00 0.00 C ATOM 1197 CG PRO A 79 3.868 7.863 -4.686 1.00 0.00 C ATOM 1198 CD PRO A 79 4.032 9.338 -4.923 1.00 0.00 C ATOM 0 HA PRO A 79 2.472 9.335 -2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.159 6.800 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.928 7.739 -3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.832 7.387 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.430 7.374 -5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.018 9.573 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.299 9.714 -5.637 1.00 0.00 H new ATOM 1206 N THR A 80 3.911 7.845 -0.544 1.00 0.00 N ATOM 1207 CA THR A 80 4.798 7.419 0.531 1.00 0.00 C ATOM 1208 C THR A 80 4.252 6.185 1.238 1.00 0.00 C ATOM 1209 O THR A 80 3.253 6.260 1.955 1.00 0.00 O ATOM 1210 CB THR A 80 5.005 8.541 1.566 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.693 9.643 0.964 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.797 8.034 2.762 1.00 0.00 C ATOM 0 H THR A 80 2.942 7.544 -0.435 1.00 0.00 H new ATOM 0 HA THR A 80 5.757 7.176 0.072 1.00 0.00 H new ATOM 0 HB THR A 80 4.025 8.871 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.116 10.435 0.977 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.931 8.844 3.479 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.256 7.215 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.772 7.680 2.429 1.00 0.00 H new ATOM 1220 N ILE A 81 4.911 5.050 1.032 1.00 0.00 N ATOM 1221 CA ILE A 81 4.492 3.799 1.652 1.00 0.00 C ATOM 1222 C ILE A 81 5.246 3.551 2.954 1.00 0.00 C ATOM 1223 O ILE A 81 6.445 3.816 3.049 1.00 0.00 O ATOM 1224 CB ILE A 81 4.710 2.602 0.709 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.921 2.796 -0.588 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.302 1.306 1.394 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.469 2.002 -1.753 1.00 0.00 C ATOM 0 H ILE A 81 5.738 4.971 0.440 1.00 0.00 H new ATOM 0 HA ILE A 81 3.427 3.894 1.864 1.00 0.00 H new ATOM 0 HB ILE A 81 5.770 2.542 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.883 2.509 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.920 3.854 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.462 0.469 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.903 1.164 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.248 1.355 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.861 2.188 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.497 2.306 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.444 0.939 -1.513 1.00 0.00 H new ATOM 1239 N TYR A 82 4.538 3.038 3.954 1.00 0.00 N ATOM 1240 CA TYR A 82 5.140 2.754 5.250 1.00 0.00 C ATOM 1241 C TYR A 82 4.839 1.324 5.689 1.00 0.00 C ATOM 1242 O TYR A 82 3.679 0.914 5.758 1.00 0.00 O ATOM 1243 CB TYR A 82 4.628 3.740 6.301 1.00 0.00 C ATOM 1244 CG TYR A 82 5.473 4.988 6.423 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.765 4.930 6.932 1.00 0.00 C ATOM 1246 CD2 TYR A 82 4.980 6.226 6.027 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.540 6.067 7.045 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.749 7.368 6.136 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.028 7.284 6.646 1.00 0.00 C ATOM 1250 OH TYR A 82 7.797 8.420 6.756 1.00 0.00 O ATOM 0 H TYR A 82 3.546 2.810 3.891 1.00 0.00 H new ATOM 0 HA TYR A 82 6.220 2.865 5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.606 4.026 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.592 3.240 7.269 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.170 3.979 7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.979 6.296 5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.542 6.004 7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.351 8.322 5.823 1.00 0.00 H new ATOM 0 HH TYR A 82 7.289 9.192 6.431 1.00 0.00 H new ATOM 1260 N HIS A 83 5.891 0.569 5.987 1.00 0.00 N ATOM 1261 CA HIS A 83 5.741 -0.816 6.421 1.00 0.00 C ATOM 1262 C HIS A 83 5.755 -0.912 7.943 1.00 0.00 C ATOM 1263 O HIS A 83 6.761 -0.607 8.585 1.00 0.00 O ATOM 1264 CB HIS A 83 6.856 -1.681 5.833 1.00 0.00 C ATOM 1265 CG HIS A 83 6.794 -3.113 6.264 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.805 -3.732 6.969 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.832 -4.050 6.088 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.469 -4.987 7.206 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.276 -5.205 6.683 1.00 0.00 N ATOM 0 H HIS A 83 6.857 0.892 5.936 1.00 0.00 H new ATOM 0 HA HIS A 83 4.780 -1.182 6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.805 -1.635 4.745 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.820 -1.264 6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.891 -3.914 5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.068 -5.712 7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.767 -6.088 6.716 1.00 0.00 H new ATOM 1278 N CYS A 84 4.634 -1.338 8.514 1.00 0.00 N ATOM 1279 CA CYS A 84 4.517 -1.473 9.962 1.00 0.00 C ATOM 1280 C CYS A 84 4.654 -2.932 10.385 1.00 0.00 C ATOM 1281 O CYS A 84 3.878 -3.788 9.960 1.00 0.00 O ATOM 1282 CB CYS A 84 3.176 -0.914 10.441 1.00 0.00 C ATOM 1283 SG CYS A 84 3.126 -0.527 12.206 1.00 0.00 S ATOM 0 H CYS A 84 3.793 -1.596 7.997 1.00 0.00 H new ATOM 0 HA CYS A 84 5.325 -0.903 10.421 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.948 -0.011 9.875 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.392 -1.637 10.216 1.00 0.00 H new ATOM 0 HG CYS A 84 3.245 0.757 12.372 1.00 0.00 H new ATOM 1289 N LYS A 85 5.647 -3.209 11.223 1.00 0.00 N ATOM 1290 CA LYS A 85 5.887 -4.564 11.704 1.00 0.00 C ATOM 1291 C LYS A 85 5.958 -4.596 13.227 1.00 0.00 C ATOM 1292 O LYS A 85 6.908 -4.090 13.824 1.00 0.00 O ATOM 1293 CB LYS A 85 7.185 -5.116 11.110 1.00 0.00 C ATOM 1294 CG LYS A 85 7.548 -6.500 11.620 1.00 0.00 C ATOM 1295 CD LYS A 85 9.015 -6.814 11.384 1.00 0.00 C ATOM 1296 CE LYS A 85 9.373 -8.209 11.875 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.435 -8.274 13.362 1.00 0.00 N ATOM 0 H LYS A 85 6.299 -2.512 11.583 1.00 0.00 H new ATOM 0 HA LYS A 85 5.054 -5.189 11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.092 -5.151 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.000 -4.429 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.328 -6.565 12.686 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.930 -7.246 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.239 -6.733 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.633 -6.077 11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.634 -8.923 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.336 -8.505 11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.920 -9.147 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.958 -7.451 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.470 -8.269 13.750 1.00 0.00 H new ATOM 1311 N ASP A 86 4.950 -5.196 13.850 1.00 0.00 N ATOM 1312 CA ASP A 86 4.900 -5.296 15.304 1.00 0.00 C ATOM 1313 C ASP A 86 5.157 -3.939 15.952 1.00 0.00 C ATOM 1314 O ASP A 86 5.872 -3.841 16.947 1.00 0.00 O ATOM 1315 CB ASP A 86 5.926 -6.316 15.802 1.00 0.00 C ATOM 1316 CG ASP A 86 5.768 -7.669 15.136 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.621 -8.154 15.046 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.791 -8.242 14.707 1.00 0.00 O ATOM 0 H ASP A 86 4.156 -5.621 13.371 1.00 0.00 H new ATOM 0 HA ASP A 86 3.901 -5.629 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.931 -5.937 15.615 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.825 -6.431 16.881 1.00 0.00 H new ATOM 1323 N GLY A 87 4.568 -2.894 15.378 1.00 0.00 N ATOM 1324 CA GLY A 87 4.747 -1.557 15.912 1.00 0.00 C ATOM 1325 C GLY A 87 5.806 -0.771 15.164 1.00 0.00 C ATOM 1326 O GLY A 87 5.604 0.398 14.838 1.00 0.00 O ATOM 0 H GLY A 87 3.971 -2.950 14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.799 -1.020 15.865 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.024 -1.623 16.964 1.00 0.00 H new ATOM 1330 N GLU A 88 6.938 -1.413 14.895 1.00 0.00 N ATOM 1331 CA GLU A 88 8.033 -0.765 14.183 1.00 0.00 C ATOM 1332 C GLU A 88 7.596 -0.336 12.785 1.00 0.00 C ATOM 1333 O GLU A 88 6.636 -0.873 12.232 1.00 0.00 O ATOM 1334 CB GLU A 88 9.236 -1.705 14.088 1.00 0.00 C ATOM 1335 CG GLU A 88 9.785 -2.130 15.439 1.00 0.00 C ATOM 1336 CD GLU A 88 10.673 -1.073 16.067 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.358 0.127 15.925 1.00 0.00 O ATOM 1338 OE2 GLU A 88 11.683 -1.446 16.701 1.00 0.00 O ATOM 0 H GLU A 88 7.121 -2.381 15.159 1.00 0.00 H new ATOM 0 HA GLU A 88 8.320 0.125 14.743 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.948 -2.594 13.526 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.027 -1.213 13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.956 -2.349 16.112 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.352 -3.053 15.322 1.00 0.00 H new ATOM 1345 N PHE A 89 8.306 0.634 12.221 1.00 0.00 N ATOM 1346 CA PHE A 89 7.992 1.136 10.888 1.00 0.00 C ATOM 1347 C PHE A 89 9.244 1.190 10.018 1.00 0.00 C ATOM 1348 O PHE A 89 10.359 1.319 10.523 1.00 0.00 O ATOM 1349 CB PHE A 89 7.360 2.527 10.980 1.00 0.00 C ATOM 1350 CG PHE A 89 5.909 2.502 11.365 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.925 2.357 10.400 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.528 2.624 12.692 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.588 2.333 10.751 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.193 2.600 13.048 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.222 2.456 12.077 1.00 0.00 C ATOM 0 H PHE A 89 9.103 1.089 12.666 1.00 0.00 H new ATOM 0 HA PHE A 89 7.281 0.451 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.911 3.120 11.710 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.464 3.029 10.018 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.206 2.262 9.362 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.283 2.739 13.456 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.831 2.218 9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.909 2.694 14.086 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.178 2.440 12.354 1.00 0.00 H new ATOM 1365 N ARG A 90 9.050 1.090 8.707 1.00 0.00 N ATOM 1366 CA ARG A 90 10.163 1.126 7.766 1.00 0.00 C ATOM 1367 C ARG A 90 9.702 1.620 6.397 1.00 0.00 C ATOM 1368 O ARG A 90 8.919 0.956 5.718 1.00 0.00 O ATOM 1369 CB ARG A 90 10.792 -0.262 7.633 1.00 0.00 C ATOM 1370 CG ARG A 90 11.879 -0.539 8.659 1.00 0.00 C ATOM 1371 CD ARG A 90 12.597 -1.848 8.370 1.00 0.00 C ATOM 1372 NE ARG A 90 13.442 -2.266 9.485 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.969 -2.801 10.605 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.665 -2.982 10.758 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.802 -3.156 11.576 1.00 0.00 N ATOM 0 H ARG A 90 8.133 0.984 8.273 1.00 0.00 H new ATOM 0 HA ARG A 90 10.909 1.820 8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.011 -1.016 7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.213 -0.367 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.599 0.280 8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.439 -0.576 9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.863 -2.626 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.208 -1.736 7.474 1.00 0.00 H new ATOM 0 HE ARG A 90 14.451 -2.140 9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.022 -2.710 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.305 -3.393 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.806 -3.018 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.438 -3.567 12.436 1.00 0.00 H new ATOM 1389 N ARG A 91 10.193 2.789 6.000 1.00 0.00 N ATOM 1390 CA ARG A 91 9.831 3.372 4.714 1.00 0.00 C ATOM 1391 C ARG A 91 10.209 2.439 3.567 1.00 0.00 C ATOM 1392 O ARG A 91 11.300 1.869 3.551 1.00 0.00 O ATOM 1393 CB ARG A 91 10.519 4.726 4.531 1.00 0.00 C ATOM 1394 CG ARG A 91 9.871 5.601 3.471 1.00 0.00 C ATOM 1395 CD ARG A 91 10.184 7.072 3.696 1.00 0.00 C ATOM 1396 NE ARG A 91 9.972 7.868 2.489 1.00 0.00 N ATOM 1397 CZ ARG A 91 10.717 7.757 1.396 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.719 6.889 1.357 1.00 0.00 N ATOM 1399 NH2 ARG A 91 10.462 8.516 0.337 1.00 0.00 N ATOM 0 H ARG A 91 10.842 3.351 6.550 1.00 0.00 H new ATOM 0 HA ARG A 91 8.751 3.516 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.513 5.258 5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.563 4.560 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.223 5.300 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.791 5.451 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.556 7.457 4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.219 7.177 4.022 1.00 0.00 H new ATOM 0 HE ARG A 91 9.210 8.546 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.919 6.304 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.290 6.806 0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.693 9.185 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.035 8.430 -0.502 1.00 0.00 H new ATOM 1413 N TYR A 92 9.300 2.288 2.611 1.00 0.00 N ATOM 1414 CA TYR A 92 9.536 1.422 1.462 1.00 0.00 C ATOM 1415 C TYR A 92 10.859 1.765 0.784 1.00 0.00 C ATOM 1416 O TYR A 92 11.766 0.936 0.714 1.00 0.00 O ATOM 1417 CB TYR A 92 8.388 1.546 0.458 1.00 0.00 C ATOM 1418 CG TYR A 92 8.317 0.399 -0.525 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.246 -0.917 -0.084 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.318 0.632 -1.895 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.182 -1.967 -0.979 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.252 -0.412 -2.797 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.185 -1.710 -2.334 1.00 0.00 C ATOM 1424 OH TYR A 92 8.119 -2.754 -3.228 1.00 0.00 O ATOM 0 H TYR A 92 8.393 2.754 2.609 1.00 0.00 H new ATOM 0 HA TYR A 92 9.587 0.393 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.445 1.606 1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.498 2.480 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.241 -1.122 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.371 1.647 -2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.130 -2.984 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.253 -0.213 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 92 7.208 -2.824 -3.583 1.00 0.00 H new ATOM 1434 N GLN A 93 10.960 2.993 0.286 1.00 0.00 N ATOM 1435 CA GLN A 93 12.171 3.447 -0.387 1.00 0.00 C ATOM 1436 C GLN A 93 12.440 2.620 -1.640 1.00 0.00 C ATOM 1437 O GLN A 93 13.557 2.154 -1.860 1.00 0.00 O ATOM 1438 CB GLN A 93 13.369 3.362 0.561 1.00 0.00 C ATOM 1439 CG GLN A 93 13.307 4.355 1.710 1.00 0.00 C ATOM 1440 CD GLN A 93 14.377 4.107 2.755 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.379 3.443 2.488 1.00 0.00 O ATOM 1442 NE2 GLN A 93 14.170 4.641 3.953 1.00 0.00 N ATOM 0 H GLN A 93 10.218 3.691 0.336 1.00 0.00 H new ATOM 0 HA GLN A 93 12.024 4.486 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.429 2.352 0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.284 3.532 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.416 5.366 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.325 4.299 2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.325 5.184 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.856 4.508 4.696 1.00 0.00 H new ATOM 1451 N GLY A 94 11.408 2.442 -2.458 1.00 0.00 N ATOM 1452 CA GLY A 94 11.553 1.671 -3.679 1.00 0.00 C ATOM 1453 C GLY A 94 10.756 2.252 -4.830 1.00 0.00 C ATOM 1454 O GLY A 94 10.114 3.295 -4.705 1.00 0.00 O ATOM 0 H GLY A 94 10.474 2.818 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.607 1.629 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.230 0.646 -3.498 1.00 0.00 H new ATOM 1458 N PRO A 95 10.794 1.569 -5.984 1.00 0.00 N ATOM 1459 CA PRO A 95 10.076 2.006 -7.186 1.00 0.00 C ATOM 1460 C PRO A 95 8.564 1.869 -7.039 1.00 0.00 C ATOM 1461 O PRO A 95 7.803 2.350 -7.879 1.00 0.00 O ATOM 1462 CB PRO A 95 10.596 1.062 -8.273 1.00 0.00 C ATOM 1463 CG PRO A 95 11.030 -0.159 -7.538 1.00 0.00 C ATOM 1464 CD PRO A 95 11.539 0.319 -6.206 1.00 0.00 C ATOM 0 HA PRO A 95 10.246 3.061 -7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.819 0.830 -9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.425 1.509 -8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.200 -0.854 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.809 -0.688 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.346 -0.409 -5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.615 0.491 -6.225 1.00 0.00 H new ATOM 1472 N ARG A 96 8.135 1.210 -5.968 1.00 0.00 N ATOM 1473 CA ARG A 96 6.714 1.009 -5.713 1.00 0.00 C ATOM 1474 C ARG A 96 6.060 0.237 -6.855 1.00 0.00 C ATOM 1475 O ARG A 96 5.077 0.689 -7.443 1.00 0.00 O ATOM 1476 CB ARG A 96 6.012 2.355 -5.526 1.00 0.00 C ATOM 1477 CG ARG A 96 6.650 3.231 -4.460 1.00 0.00 C ATOM 1478 CD ARG A 96 5.901 4.545 -4.297 1.00 0.00 C ATOM 1479 NE ARG A 96 6.775 5.621 -3.839 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.310 5.666 -2.623 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.061 4.700 -1.750 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.096 6.678 -2.281 1.00 0.00 N ATOM 0 H ARG A 96 8.751 0.806 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 96 6.614 0.425 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.015 2.892 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.969 2.178 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.663 2.698 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.687 3.433 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.450 4.825 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.087 4.412 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 96 6.987 6.379 -4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.458 3.920 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.473 4.737 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.290 7.422 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.506 6.712 -1.348 1.00 0.00 H new ATOM 1496 N THR A 97 6.613 -0.932 -7.166 1.00 0.00 N ATOM 1497 CA THR A 97 6.086 -1.766 -8.239 1.00 0.00 C ATOM 1498 C THR A 97 5.612 -3.113 -7.705 1.00 0.00 C ATOM 1499 O THR A 97 6.146 -3.626 -6.721 1.00 0.00 O ATOM 1500 CB THR A 97 7.141 -2.003 -9.336 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.384 -2.395 -8.743 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.344 -0.749 -10.171 1.00 0.00 C ATOM 0 H THR A 97 7.426 -1.322 -6.689 1.00 0.00 H new ATOM 0 HA THR A 97 5.240 -1.231 -8.670 1.00 0.00 H new ATOM 0 HB THR A 97 6.783 -2.800 -9.988 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.049 -2.546 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.093 -0.941 -10.939 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.402 -0.471 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.682 0.065 -9.529 1.00 0.00 H new ATOM 1510 N LYS A 98 4.606 -3.682 -8.360 1.00 0.00 N ATOM 1511 CA LYS A 98 4.060 -4.972 -7.954 1.00 0.00 C ATOM 1512 C LYS A 98 5.178 -5.955 -7.619 1.00 0.00 C ATOM 1513 O LYS A 98 5.263 -6.456 -6.498 1.00 0.00 O ATOM 1514 CB LYS A 98 3.176 -5.547 -9.062 1.00 0.00 C ATOM 1515 CG LYS A 98 2.045 -6.421 -8.547 1.00 0.00 C ATOM 1516 CD LYS A 98 1.590 -7.420 -9.597 1.00 0.00 C ATOM 1517 CE LYS A 98 2.532 -8.612 -9.678 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.510 -9.245 -11.026 1.00 0.00 N ATOM 0 H LYS A 98 4.152 -3.270 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 98 3.456 -4.817 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.754 -4.726 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.795 -6.132 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.373 -6.954 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.204 -5.793 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.584 -7.766 -9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.538 -6.929 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.547 -8.290 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.251 -9.349 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.165 -10.053 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.547 -9.576 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.803 -8.549 -11.741 1.00 0.00 H new ATOM 1532 N LYS A 99 6.034 -6.226 -8.599 1.00 0.00 N ATOM 1533 CA LYS A 99 7.148 -7.146 -8.408 1.00 0.00 C ATOM 1534 C LYS A 99 7.931 -6.800 -7.146 1.00 0.00 C ATOM 1535 O LYS A 99 7.918 -7.550 -6.170 1.00 0.00 O ATOM 1536 CB LYS A 99 8.078 -7.112 -9.623 1.00 0.00 C ATOM 1537 CG LYS A 99 9.372 -7.881 -9.421 1.00 0.00 C ATOM 1538 CD LYS A 99 10.497 -7.314 -10.271 1.00 0.00 C ATOM 1539 CE LYS A 99 11.270 -6.236 -9.526 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.093 -5.406 -10.449 1.00 0.00 N ATOM 0 H LYS A 99 5.977 -5.821 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 99 6.741 -8.151 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.552 -7.523 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.315 -6.075 -9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.656 -7.846 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.216 -8.930 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.176 -8.116 -10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.085 -6.898 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.572 -5.596 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.916 -6.701 -8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.604 -4.683 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.776 -6.013 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.474 -4.942 -11.144 1.00 0.00 H new ATOM 1554 N ASP A 100 8.610 -5.658 -7.171 1.00 0.00 N ATOM 1555 CA ASP A 100 9.396 -5.211 -6.028 1.00 0.00 C ATOM 1556 C ASP A 100 8.698 -5.561 -4.717 1.00 0.00 C ATOM 1557 O ASP A 100 9.248 -6.279 -3.882 1.00 0.00 O ATOM 1558 CB ASP A 100 9.635 -3.702 -6.105 1.00 0.00 C ATOM 1559 CG ASP A 100 10.790 -3.253 -5.230 1.00 0.00 C ATOM 1560 OD1 ASP A 100 11.908 -3.780 -5.407 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.575 -2.374 -4.370 1.00 0.00 O ATOM 0 H ASP A 100 8.631 -5.025 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 100 10.356 -5.726 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.836 -3.421 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.729 -3.178 -5.802 1.00 0.00 H new ATOM 1566 N PHE A 101 7.484 -5.049 -4.544 1.00 0.00 N ATOM 1567 CA PHE A 101 6.711 -5.306 -3.335 1.00 0.00 C ATOM 1568 C PHE A 101 6.935 -6.732 -2.839 1.00 0.00 C ATOM 1569 O PHE A 101 7.484 -6.946 -1.758 1.00 0.00 O ATOM 1570 CB PHE A 101 5.222 -5.073 -3.597 1.00 0.00 C ATOM 1571 CG PHE A 101 4.835 -3.621 -3.607 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.288 -2.763 -2.617 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.020 -3.115 -4.606 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.933 -1.428 -2.624 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.662 -1.780 -4.618 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.120 -0.935 -3.626 1.00 0.00 C ATOM 0 H PHE A 101 7.014 -4.454 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 101 7.049 -4.614 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.956 -5.518 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.642 -5.590 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.925 -3.142 -1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.660 -3.771 -5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.291 -0.770 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.025 -1.398 -5.402 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.843 0.109 -3.634 1.00 0.00 H new ATOM 1586 N ILE A 102 6.505 -7.703 -3.638 1.00 0.00 N ATOM 1587 CA ILE A 102 6.658 -9.108 -3.281 1.00 0.00 C ATOM 1588 C ILE A 102 7.960 -9.344 -2.524 1.00 0.00 C ATOM 1589 O ILE A 102 7.949 -9.710 -1.349 1.00 0.00 O ATOM 1590 CB ILE A 102 6.631 -10.012 -4.528 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.223 -10.054 -5.124 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.106 -11.414 -4.177 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.006 -9.049 -6.234 1.00 0.00 C ATOM 0 H ILE A 102 6.048 -7.543 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 102 5.815 -9.364 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 102 7.309 -9.597 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.030 -11.055 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.497 -9.871 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.081 -12.040 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.126 -11.368 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.452 -11.840 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.986 -9.136 -6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.167 -8.042 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.708 -9.244 -7.044 1.00 0.00 H new ATOM 1605 N ASN A 103 9.081 -9.131 -3.205 1.00 0.00 N ATOM 1606 CA ASN A 103 10.393 -9.319 -2.596 1.00 0.00 C ATOM 1607 C ASN A 103 10.480 -8.593 -1.256 1.00 0.00 C ATOM 1608 O ASN A 103 10.908 -9.166 -0.254 1.00 0.00 O ATOM 1609 CB ASN A 103 11.491 -8.815 -3.534 1.00 0.00 C ATOM 1610 CG ASN A 103 11.226 -9.178 -4.982 1.00 0.00 C ATOM 1611 OD1 ASN A 103 10.980 -10.340 -5.307 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.275 -8.183 -5.860 1.00 0.00 N ATOM 0 H ASN A 103 9.107 -8.828 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 103 10.535 -10.385 -2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.574 -7.732 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.449 -9.235 -3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.105 -8.367 -6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.483 -7.235 -5.546 1.00 0.00 H new ATOM 1619 N PHE A 104 10.071 -7.329 -1.247 1.00 0.00 N ATOM 1620 CA PHE A 104 10.103 -6.524 -0.031 1.00 0.00 C ATOM 1621 C PHE A 104 9.407 -7.247 1.118 1.00 0.00 C ATOM 1622 O PHE A 104 9.813 -7.131 2.275 1.00 0.00 O ATOM 1623 CB PHE A 104 9.437 -5.168 -0.275 1.00 0.00 C ATOM 1624 CG PHE A 104 9.367 -4.306 0.953 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.512 -3.724 1.473 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.157 -4.078 1.588 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.452 -2.929 2.602 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.090 -3.284 2.718 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.239 -2.710 3.226 1.00 0.00 C ATOM 0 H PHE A 104 9.714 -6.840 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 104 11.146 -6.364 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.987 -4.636 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.428 -5.330 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.463 -3.894 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.256 -4.526 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.352 -2.480 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.140 -3.113 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.189 -2.091 4.110 1.00 0.00 H new ATOM 1639 N ILE A 105 8.356 -7.992 0.790 1.00 0.00 N ATOM 1640 CA ILE A 105 7.604 -8.734 1.794 1.00 0.00 C ATOM 1641 C ILE A 105 8.224 -10.104 2.045 1.00 0.00 C ATOM 1642 O ILE A 105 8.699 -10.390 3.144 1.00 0.00 O ATOM 1643 CB ILE A 105 6.133 -8.917 1.374 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.466 -7.556 1.165 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.381 -9.727 2.419 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.398 -6.717 2.422 1.00 0.00 C ATOM 0 H ILE A 105 8.007 -8.097 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 105 7.641 -8.148 2.712 1.00 0.00 H new ATOM 0 HB ILE A 105 6.105 -9.462 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.014 -7.006 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.456 -7.710 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.343 -9.848 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.845 -10.708 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.415 -9.207 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.913 -5.767 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.825 -7.247 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.407 -6.532 2.791 1.00 0.00 H new ATOM 1658 N SER A 106 8.218 -10.947 1.017 1.00 0.00 N ATOM 1659 CA SER A 106 8.778 -12.289 1.126 1.00 0.00 C ATOM 1660 C SER A 106 10.271 -12.231 1.433 1.00 0.00 C ATOM 1661 O SER A 106 10.752 -12.889 2.356 1.00 0.00 O ATOM 1662 CB SER A 106 8.542 -13.069 -0.169 1.00 0.00 C ATOM 1663 OG SER A 106 8.800 -14.451 0.014 1.00 0.00 O ATOM 0 H SER A 106 7.832 -10.724 0.100 1.00 0.00 H new ATOM 0 HA SER A 106 8.276 -12.801 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.513 -12.929 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.186 -12.677 -0.956 1.00 0.00 H new ATOM 0 HG SER A 106 8.640 -14.928 -0.827 1.00 0.00 H new ATOM 1669 N ASP A 107 10.999 -11.439 0.654 1.00 0.00 N ATOM 1670 CA ASP A 107 12.437 -11.293 0.842 1.00 0.00 C ATOM 1671 C ASP A 107 12.741 -10.394 2.037 1.00 0.00 C ATOM 1672 O ASP A 107 13.894 -10.045 2.289 1.00 0.00 O ATOM 1673 CB ASP A 107 13.083 -10.719 -0.420 1.00 0.00 C ATOM 1674 CG ASP A 107 14.512 -11.191 -0.606 1.00 0.00 C ATOM 1675 OD1 ASP A 107 15.207 -11.391 0.412 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.935 -11.360 -1.769 1.00 0.00 O ATOM 0 H ASP A 107 10.616 -10.888 -0.114 1.00 0.00 H new ATOM 0 HA ASP A 107 12.854 -12.281 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.492 -11.007 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.067 -9.630 -0.370 1.00 0.00 H new ATOM 1681 N LYS A 108 11.697 -10.021 2.770 1.00 0.00 N ATOM 1682 CA LYS A 108 11.850 -9.162 3.938 1.00 0.00 C ATOM 1683 C LYS A 108 12.956 -8.135 3.718 1.00 0.00 C ATOM 1684 O LYS A 108 13.737 -7.847 4.624 1.00 0.00 O ATOM 1685 CB LYS A 108 12.161 -10.004 5.178 1.00 0.00 C ATOM 1686 CG LYS A 108 10.976 -10.811 5.679 1.00 0.00 C ATOM 1687 CD LYS A 108 11.424 -12.043 6.447 1.00 0.00 C ATOM 1688 CE LYS A 108 10.264 -12.993 6.701 1.00 0.00 C ATOM 1689 NZ LYS A 108 10.644 -14.096 7.627 1.00 0.00 N ATOM 0 H LYS A 108 10.736 -10.300 2.575 1.00 0.00 H new ATOM 0 HA LYS A 108 10.911 -8.631 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.982 -10.684 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.505 -9.346 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.355 -10.187 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.357 -11.113 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.203 -12.560 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.863 -11.741 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.425 -12.438 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.925 -13.414 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.827 -14.722 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.428 -14.641 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.943 -13.696 8.539 1.00 0.00 H new ATOM 1703 N GLU A 109 13.014 -7.585 2.509 1.00 0.00 N ATOM 1704 CA GLU A 109 14.025 -6.590 2.171 1.00 0.00 C ATOM 1705 C GLU A 109 14.037 -5.458 3.195 1.00 0.00 C ATOM 1706 O GLU A 109 15.076 -4.848 3.449 1.00 0.00 O ATOM 1707 CB GLU A 109 13.768 -6.023 0.773 1.00 0.00 C ATOM 1708 CG GLU A 109 13.659 -7.089 -0.304 1.00 0.00 C ATOM 1709 CD GLU A 109 13.819 -6.524 -1.702 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.353 -5.389 -1.939 1.00 0.00 O ATOM 1711 OE2 GLU A 109 14.408 -7.215 -2.559 1.00 0.00 O ATOM 0 H GLU A 109 12.373 -7.811 1.748 1.00 0.00 H new ATOM 0 HA GLU A 109 14.998 -7.080 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.847 -5.440 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.575 -5.337 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.420 -7.851 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.691 -7.583 -0.224 1.00 0.00 H new ATOM 1718 N TRP A 110 12.876 -5.184 3.779 1.00 0.00 N ATOM 1719 CA TRP A 110 12.753 -4.126 4.775 1.00 0.00 C ATOM 1720 C TRP A 110 13.860 -4.228 5.818 1.00 0.00 C ATOM 1721 O TRP A 110 14.345 -3.217 6.325 1.00 0.00 O ATOM 1722 CB TRP A 110 11.385 -4.196 5.457 1.00 0.00 C ATOM 1723 CG TRP A 110 11.046 -5.564 5.967 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.313 -6.520 5.324 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.424 -6.126 7.229 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.213 -7.643 6.110 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.887 -7.427 7.282 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.166 -5.659 8.316 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.068 -8.262 8.382 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.345 -6.489 9.407 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.799 -7.779 9.433 1.00 0.00 C ATOM 0 H TRP A 110 12.007 -5.679 3.580 1.00 0.00 H new ATOM 0 HA TRP A 110 12.848 -3.168 4.264 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.364 -3.491 6.288 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.618 -3.879 4.751 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.876 -6.410 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.717 -8.499 5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.593 -4.667 8.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.646 -9.256 8.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.915 -6.137 10.254 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.958 -8.404 10.299 1.00 0.00 H new ATOM 1742 N LYS A 111 14.257 -5.456 6.135 1.00 0.00 N ATOM 1743 CA LYS A 111 15.309 -5.691 7.117 1.00 0.00 C ATOM 1744 C LYS A 111 16.544 -4.853 6.802 1.00 0.00 C ATOM 1745 O LYS A 111 17.240 -4.392 7.707 1.00 0.00 O ATOM 1746 CB LYS A 111 15.682 -7.175 7.150 1.00 0.00 C ATOM 1747 CG LYS A 111 14.560 -8.073 7.642 1.00 0.00 C ATOM 1748 CD LYS A 111 15.024 -9.512 7.796 1.00 0.00 C ATOM 1749 CE LYS A 111 14.155 -10.275 8.784 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.391 -9.835 10.186 1.00 0.00 N ATOM 0 H LYS A 111 13.866 -6.304 5.726 1.00 0.00 H new ATOM 0 HA LYS A 111 14.931 -5.396 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.975 -7.490 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.552 -7.308 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.191 -7.704 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.726 -8.032 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.998 -10.010 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.060 -9.527 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.105 -10.131 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.360 -11.342 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.155 -10.611 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.391 -9.575 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.792 -9.011 10.397 1.00 0.00 H new ATOM 1764 N SER A 112 16.809 -4.658 5.514 1.00 0.00 N ATOM 1765 CA SER A 112 17.962 -3.877 5.081 1.00 0.00 C ATOM 1766 C SER A 112 17.640 -2.386 5.084 1.00 0.00 C ATOM 1767 O SER A 112 18.333 -1.589 4.452 1.00 0.00 O ATOM 1768 CB SER A 112 18.402 -4.312 3.682 1.00 0.00 C ATOM 1769 OG SER A 112 19.018 -5.588 3.715 1.00 0.00 O ATOM 0 H SER A 112 16.241 -5.030 4.753 1.00 0.00 H new ATOM 0 HA SER A 112 18.776 -4.057 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.538 -4.339 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.097 -3.580 3.272 1.00 0.00 H new ATOM 0 HG SER A 112 19.289 -5.844 2.809 1.00 0.00 H new ATOM 1775 N ILE A 113 16.583 -2.017 5.801 1.00 0.00 N ATOM 1776 CA ILE A 113 16.169 -0.622 5.888 1.00 0.00 C ATOM 1777 C ILE A 113 16.169 -0.138 7.334 1.00 0.00 C ATOM 1778 O ILE A 113 15.767 -0.865 8.241 1.00 0.00 O ATOM 1779 CB ILE A 113 14.767 -0.413 5.288 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.764 -0.778 3.802 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.315 1.027 5.486 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.396 -0.697 3.162 1.00 0.00 C ATOM 0 H ILE A 113 15.998 -2.665 6.330 1.00 0.00 H new ATOM 0 HA ILE A 113 16.891 -0.042 5.313 1.00 0.00 H new ATOM 0 HB ILE A 113 14.066 -1.068 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.444 -0.112 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.152 -1.790 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.322 1.159 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.283 1.255 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.016 1.700 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.470 -0.969 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.717 -1.384 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.014 0.320 3.248 1.00 0.00 H new ATOM 1794 N GLU A 114 16.620 1.095 7.539 1.00 0.00 N ATOM 1795 CA GLU A 114 16.671 1.677 8.876 1.00 0.00 C ATOM 1796 C GLU A 114 15.272 2.050 9.359 1.00 0.00 C ATOM 1797 O GLU A 114 14.623 2.950 8.826 1.00 0.00 O ATOM 1798 CB GLU A 114 17.573 2.913 8.885 1.00 0.00 C ATOM 1799 CG GLU A 114 19.052 2.586 8.998 1.00 0.00 C ATOM 1800 CD GLU A 114 19.864 3.741 9.551 1.00 0.00 C ATOM 1801 OE1 GLU A 114 19.539 4.219 10.657 1.00 0.00 O ATOM 1802 OE2 GLU A 114 20.826 4.166 8.877 1.00 0.00 O ATOM 0 H GLU A 114 16.955 1.710 6.798 1.00 0.00 H new ATOM 0 HA GLU A 114 17.085 0.931 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.404 3.482 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.287 3.555 9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.180 1.716 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.436 2.314 8.015 1.00 0.00 H new ATOM 1809 N PRO A 115 14.796 1.343 10.395 1.00 0.00 N ATOM 1810 CA PRO A 115 13.471 1.581 10.974 1.00 0.00 C ATOM 1811 C PRO A 115 13.395 2.909 11.720 1.00 0.00 C ATOM 1812 O PRO A 115 14.409 3.576 11.926 1.00 0.00 O ATOM 1813 CB PRO A 115 13.292 0.411 11.945 1.00 0.00 C ATOM 1814 CG PRO A 115 14.679 0.001 12.303 1.00 0.00 C ATOM 1815 CD PRO A 115 15.515 0.255 11.080 1.00 0.00 C ATOM 0 HA PRO A 115 12.697 1.640 10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.728 0.712 12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.744 -0.409 11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.048 0.574 13.154 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.714 -1.051 12.588 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.532 0.548 11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.591 -0.634 10.453 1.00 0.00 H new ATOM 1823 N VAL A 116 12.186 3.287 12.123 1.00 0.00 N ATOM 1824 CA VAL A 116 11.978 4.535 12.848 1.00 0.00 C ATOM 1825 C VAL A 116 11.498 4.270 14.271 1.00 0.00 C ATOM 1826 O VAL A 116 10.831 3.270 14.536 1.00 0.00 O ATOM 1827 CB VAL A 116 10.954 5.436 12.132 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.432 5.777 10.729 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.590 4.764 12.090 1.00 0.00 C ATOM 0 H VAL A 116 11.336 2.747 11.960 1.00 0.00 H new ATOM 0 HA VAL A 116 12.940 5.046 12.881 1.00 0.00 H new ATOM 0 HB VAL A 116 10.859 6.365 12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.696 6.414 10.239 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.385 6.302 10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.558 4.859 10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.879 5.415 11.581 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.666 3.819 11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.246 4.576 13.107 1.00 0.00 H new ATOM 1839 N SER A 117 11.841 5.174 15.183 1.00 0.00 N ATOM 1840 CA SER A 117 11.448 5.037 16.580 1.00 0.00 C ATOM 1841 C SER A 117 10.313 5.997 16.922 1.00 0.00 C ATOM 1842 O SER A 117 9.240 5.578 17.356 1.00 0.00 O ATOM 1843 CB SER A 117 12.645 5.298 17.497 1.00 0.00 C ATOM 1844 OG SER A 117 12.246 5.347 18.856 1.00 0.00 O ATOM 0 H SER A 117 12.390 6.009 14.979 1.00 0.00 H new ATOM 0 HA SER A 117 11.097 4.017 16.734 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.389 4.513 17.361 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.121 6.239 17.220 1.00 0.00 H new ATOM 0 HG SER A 117 13.029 5.513 19.421 1.00 0.00 H new ATOM 1850 N SER A 118 10.558 7.289 16.723 1.00 0.00 N ATOM 1851 CA SER A 118 9.558 8.310 17.013 1.00 0.00 C ATOM 1852 C SER A 118 8.190 7.898 16.479 1.00 0.00 C ATOM 1853 O SER A 118 7.857 8.163 15.323 1.00 0.00 O ATOM 1854 CB SER A 118 9.975 9.649 16.402 1.00 0.00 C ATOM 1855 OG SER A 118 11.094 10.193 17.081 1.00 0.00 O ATOM 0 H SER A 118 11.440 7.653 16.362 1.00 0.00 H new ATOM 0 HA SER A 118 9.488 8.418 18.095 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.217 9.512 15.348 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.141 10.349 16.449 1.00 0.00 H new ATOM 0 HG SER A 118 11.342 11.048 16.670 1.00 0.00 H new ATOM 1861 N TRP A 119 7.401 7.250 17.328 1.00 0.00 N ATOM 1862 CA TRP A 119 6.068 6.801 16.942 1.00 0.00 C ATOM 1863 C TRP A 119 5.021 7.284 17.939 1.00 0.00 C ATOM 1864 O TRP A 119 4.666 6.569 18.876 1.00 0.00 O ATOM 1865 CB TRP A 119 6.030 5.275 16.843 1.00 0.00 C ATOM 1866 CG TRP A 119 4.640 4.718 16.778 1.00 0.00 C ATOM 1867 CD1 TRP A 119 3.940 4.139 17.798 1.00 0.00 C ATOM 1868 CD2 TRP A 119 3.783 4.686 15.632 1.00 0.00 C ATOM 1869 NE1 TRP A 119 2.700 3.750 17.355 1.00 0.00 N ATOM 1870 CE2 TRP A 119 2.578 4.075 16.029 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.915 5.117 14.309 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 1.515 3.883 15.151 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 2.859 4.926 13.438 1.00 0.00 C ATOM 1874 CH2 TRP A 119 1.672 4.314 13.861 1.00 0.00 C ATOM 0 H TRP A 119 7.661 7.024 18.288 1.00 0.00 H new ATOM 0 HA TRP A 119 5.837 7.227 15.966 1.00 0.00 H new ATOM 0 HB2 TRP A 119 6.581 4.962 15.956 1.00 0.00 H new ATOM 0 HB3 TRP A 119 6.544 4.849 17.705 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.308 4.007 18.805 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.985 3.293 17.921 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.826 5.591 13.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.599 3.411 15.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.951 5.254 12.413 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.865 4.180 13.156 1.00 0.00 H new ATOM 1885 N PHE A 120 4.530 8.502 17.731 1.00 0.00 N ATOM 1886 CA PHE A 120 3.523 9.080 18.613 1.00 0.00 C ATOM 1887 C PHE A 120 2.119 8.671 18.179 1.00 0.00 C ATOM 1888 O PHE A 120 1.490 9.342 17.361 1.00 0.00 O ATOM 1889 CB PHE A 120 3.641 10.606 18.625 1.00 0.00 C ATOM 1890 CG PHE A 120 3.214 11.231 19.922 1.00 0.00 C ATOM 1891 CD1 PHE A 120 3.859 10.910 21.106 1.00 0.00 C ATOM 1892 CD2 PHE A 120 2.167 12.138 19.958 1.00 0.00 C ATOM 1893 CE1 PHE A 120 3.468 11.483 22.301 1.00 0.00 C ATOM 1894 CE2 PHE A 120 1.773 12.715 21.150 1.00 0.00 C ATOM 1895 CZ PHE A 120 2.423 12.386 22.324 1.00 0.00 C ATOM 0 H PHE A 120 4.813 9.107 16.960 1.00 0.00 H new ATOM 0 HA PHE A 120 3.697 8.700 19.620 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.675 10.884 18.420 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.035 11.015 17.817 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.676 10.204 21.094 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.653 12.397 19.044 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.979 11.225 23.217 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.957 13.423 21.164 1.00 0.00 H new ATOM 0 HZ PHE A 120 2.115 12.834 23.257 1.00 0.00 H new ATOM 1905 N SER A 121 1.634 7.564 18.732 1.00 0.00 N ATOM 1906 CA SER A 121 0.307 7.061 18.399 1.00 0.00 C ATOM 1907 C SER A 121 -0.367 6.452 19.625 1.00 0.00 C ATOM 1908 O SER A 121 0.043 5.400 20.114 1.00 0.00 O ATOM 1909 CB SER A 121 0.398 6.019 17.283 1.00 0.00 C ATOM 1910 OG SER A 121 1.058 6.547 16.145 1.00 0.00 O ATOM 0 H SER A 121 2.141 6.998 19.413 1.00 0.00 H new ATOM 0 HA SER A 121 -0.296 7.901 18.054 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.934 5.141 17.644 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.603 5.689 17.006 1.00 0.00 H new ATOM 0 HG SER A 121 1.655 5.867 15.768 1.00 0.00 H new ATOM 1916 N GLY A 122 -1.404 7.122 20.117 1.00 0.00 N ATOM 1917 CA GLY A 122 -2.119 6.633 21.282 1.00 0.00 C ATOM 1918 C GLY A 122 -3.274 7.533 21.674 1.00 0.00 C ATOM 1919 O GLY A 122 -3.924 8.148 20.828 1.00 0.00 O ATOM 0 H GLY A 122 -1.762 7.995 19.730 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.496 5.631 21.079 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.427 6.549 22.120 1.00 0.00 H new ATOM 1923 N PRO A 123 -3.545 7.617 22.985 1.00 0.00 N ATOM 1924 CA PRO A 123 -4.632 8.445 23.517 1.00 0.00 C ATOM 1925 C PRO A 123 -4.344 9.936 23.381 1.00 0.00 C ATOM 1926 O PRO A 123 -3.323 10.332 22.818 1.00 0.00 O ATOM 1927 CB PRO A 123 -4.692 8.045 24.993 1.00 0.00 C ATOM 1928 CG PRO A 123 -3.322 7.553 25.309 1.00 0.00 C ATOM 1929 CD PRO A 123 -2.812 6.911 24.049 1.00 0.00 C ATOM 0 HA PRO A 123 -5.567 8.286 22.979 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.963 8.893 25.622 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -5.440 7.270 25.163 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.675 8.373 25.619 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.344 6.837 26.130 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -1.734 7.034 23.944 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.014 5.840 24.034 1.00 0.00 H new ATOM 1937 N SER A 124 -5.250 10.759 23.899 1.00 0.00 N ATOM 1938 CA SER A 124 -5.095 12.207 23.832 1.00 0.00 C ATOM 1939 C SER A 124 -5.096 12.819 25.230 1.00 0.00 C ATOM 1940 O SER A 124 -5.909 12.452 26.079 1.00 0.00 O ATOM 1941 CB SER A 124 -6.216 12.823 22.993 1.00 0.00 C ATOM 1942 OG SER A 124 -7.451 12.791 23.689 1.00 0.00 O ATOM 0 H SER A 124 -6.099 10.447 24.370 1.00 0.00 H new ATOM 0 HA SER A 124 -4.137 12.423 23.360 1.00 0.00 H new ATOM 0 HB2 SER A 124 -5.963 13.853 22.742 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.311 12.280 22.053 1.00 0.00 H new ATOM 0 HG SER A 124 -8.151 13.192 23.132 1.00 0.00 H new ATOM 1948 N SER A 125 -4.179 13.753 25.461 1.00 0.00 N ATOM 1949 CA SER A 125 -4.071 14.414 26.756 1.00 0.00 C ATOM 1950 C SER A 125 -4.076 15.931 26.595 1.00 0.00 C ATOM 1951 O SER A 125 -4.072 16.447 25.478 1.00 0.00 O ATOM 1952 CB SER A 125 -2.794 13.970 27.473 1.00 0.00 C ATOM 1953 OG SER A 125 -1.640 14.366 26.752 1.00 0.00 O ATOM 0 H SER A 125 -3.500 14.069 24.768 1.00 0.00 H new ATOM 0 HA SER A 125 -4.935 14.128 27.355 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.767 14.401 28.474 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.798 12.887 27.592 1.00 0.00 H new ATOM 0 HG SER A 125 -0.838 14.072 27.232 1.00 0.00 H new ATOM 1959 N GLY A 126 -4.085 16.640 27.720 1.00 0.00 N ATOM 1960 CA GLY A 126 -4.090 18.090 27.682 1.00 0.00 C ATOM 1961 C GLY A 126 -5.247 18.645 26.874 1.00 0.00 C ATOM 1962 O GLY A 126 -5.044 19.408 25.930 1.00 0.00 O ATOM 0 H GLY A 126 -4.089 16.236 28.656 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.143 18.477 28.700 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -3.151 18.442 27.255 1.00 0.00 H new TER 1966 GLY A 126