USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc= 0.548 K(o=1,f=-1.5) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0.487 USER MOD Set 2.1: A 57 GLN : amide:sc= 1.26 K(o=1.6,f=-0.57) USER MOD Set 2.2: A 59 TYR OH : rot -148:sc= 0.35 USER MOD Set 3.1: A 14 GLN : amide:sc= 0.824 K(o=1.6,f=0.28) USER MOD Set 3.2: A 93 SER OG : rot 180:sc= 0.728 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0636 (180deg=0) 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 180:sc= 0.00278 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00737 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 17 THR OG1 : rot 68:sc= 0.0609 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.13) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 44 ASN : amide:sc= 0.498 K(o=0.5,f=-1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 47 MET CE :methyl 136:sc= -0.246 (180deg=-0.464) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 2.43 (180deg=1.58) USER MOD Single : A 53 THR OG1 : rot -58:sc= 0.512 USER MOD Single : A 55 GLN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 1.21 K(o=1.2,f=-7.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -146:sc= -0.171 (180deg=-2.05!) USER MOD Single : A 79 MET CE :methyl -169:sc= 0 (180deg=-0.125) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.23) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 2.55 (180deg=2.47) USER MOD Single : A 95 HIS : no HD1:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 96 ASN : amide:sc= 0.406 K(o=0.41,f=-5.6!) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0.874) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.251 -12.519 4.180 1.00 0.00 N ATOM 2 CA GLY A 1 24.498 -12.369 5.446 1.00 0.00 C ATOM 3 C GLY A 1 23.836 -13.673 5.869 1.00 0.00 C ATOM 4 O GLY A 1 24.263 -14.757 5.463 1.00 0.00 O ATOM 0 H1 GLY A 1 26.186 -12.073 4.277 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.370 -13.529 3.964 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.727 -12.060 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.173 -12.033 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.737 -11.597 5.327 1.00 0.00 H new ATOM 10 N SER A 2 22.789 -13.580 6.692 1.00 0.00 N ATOM 11 CA SER A 2 22.016 -14.721 7.221 1.00 0.00 C ATOM 12 C SER A 2 20.523 -14.391 7.393 1.00 0.00 C ATOM 13 O SER A 2 20.130 -13.221 7.461 1.00 0.00 O ATOM 14 CB SER A 2 22.619 -15.203 8.551 1.00 0.00 C ATOM 15 OG SER A 2 22.642 -14.165 9.521 1.00 0.00 O ATOM 0 H SER A 2 22.439 -12.681 7.023 1.00 0.00 H new ATOM 0 HA SER A 2 22.081 -15.523 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.039 -16.044 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.633 -15.566 8.381 1.00 0.00 H new ATOM 0 HG SER A 2 23.029 -14.505 10.355 1.00 0.00 H new ATOM 21 N SER A 3 19.678 -15.426 7.443 1.00 0.00 N ATOM 22 CA SER A 3 18.213 -15.301 7.545 1.00 0.00 C ATOM 23 C SER A 3 17.741 -14.843 8.935 1.00 0.00 C ATOM 24 O SER A 3 18.330 -15.201 9.959 1.00 0.00 O ATOM 25 CB SER A 3 17.536 -16.632 7.190 1.00 0.00 C ATOM 26 OG SER A 3 17.920 -17.059 5.890 1.00 0.00 O ATOM 0 H SER A 3 19.996 -16.395 7.413 1.00 0.00 H new ATOM 0 HA SER A 3 17.923 -14.529 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.808 -17.391 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.453 -16.519 7.236 1.00 0.00 H new ATOM 0 HG SER A 3 17.480 -17.910 5.682 1.00 0.00 H new ATOM 32 N GLY A 4 16.640 -14.086 8.976 1.00 0.00 N ATOM 33 CA GLY A 4 15.988 -13.614 10.204 1.00 0.00 C ATOM 34 C GLY A 4 14.725 -12.788 9.927 1.00 0.00 C ATOM 35 O GLY A 4 14.567 -12.221 8.841 1.00 0.00 O ATOM 0 H GLY A 4 16.162 -13.775 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.727 -14.472 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.693 -13.010 10.775 1.00 0.00 H new ATOM 39 N SER A 5 13.814 -12.726 10.902 1.00 0.00 N ATOM 40 CA SER A 5 12.513 -12.040 10.784 1.00 0.00 C ATOM 41 C SER A 5 12.569 -10.532 11.080 1.00 0.00 C ATOM 42 O SER A 5 11.769 -9.769 10.529 1.00 0.00 O ATOM 43 CB SER A 5 11.487 -12.724 11.697 1.00 0.00 C ATOM 44 OG SER A 5 11.961 -12.789 13.036 1.00 0.00 O ATOM 0 H SER A 5 13.957 -13.158 11.815 1.00 0.00 H new ATOM 0 HA SER A 5 12.213 -12.124 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.545 -12.176 11.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.282 -13.730 11.331 1.00 0.00 H new ATOM 0 HG SER A 5 11.290 -13.227 13.600 1.00 0.00 H new ATOM 50 N SER A 6 13.512 -10.085 11.915 1.00 0.00 N ATOM 51 CA SER A 6 13.738 -8.673 12.271 1.00 0.00 C ATOM 52 C SER A 6 15.176 -8.407 12.749 1.00 0.00 C ATOM 53 O SER A 6 15.908 -9.329 13.126 1.00 0.00 O ATOM 54 CB SER A 6 12.734 -8.223 13.347 1.00 0.00 C ATOM 55 OG SER A 6 12.891 -8.952 14.557 1.00 0.00 O ATOM 0 H SER A 6 14.165 -10.716 12.380 1.00 0.00 H new ATOM 0 HA SER A 6 13.586 -8.090 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.866 -7.159 13.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.718 -8.354 12.973 1.00 0.00 H new ATOM 0 HG SER A 6 12.238 -8.637 15.216 1.00 0.00 H new ATOM 61 N GLY A 7 15.589 -7.135 12.735 1.00 0.00 N ATOM 62 CA GLY A 7 16.882 -6.662 13.248 1.00 0.00 C ATOM 63 C GLY A 7 17.177 -5.194 12.887 1.00 0.00 C ATOM 64 O GLY A 7 16.437 -4.604 12.090 1.00 0.00 O ATOM 0 H GLY A 7 15.016 -6.382 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.898 -6.773 14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.676 -7.294 12.851 1.00 0.00 H new ATOM 68 N PRO A 8 18.243 -4.584 13.447 1.00 0.00 N ATOM 69 CA PRO A 8 18.633 -3.202 13.147 1.00 0.00 C ATOM 70 C PRO A 8 18.992 -2.995 11.667 1.00 0.00 C ATOM 71 O PRO A 8 19.737 -3.788 11.081 1.00 0.00 O ATOM 72 CB PRO A 8 19.821 -2.890 14.067 1.00 0.00 C ATOM 73 CG PRO A 8 19.660 -3.888 15.213 1.00 0.00 C ATOM 74 CD PRO A 8 19.087 -5.116 14.507 1.00 0.00 C ATOM 0 HA PRO A 8 17.799 -2.523 13.326 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.772 -3.021 13.552 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.792 -1.861 14.425 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.612 -4.106 15.697 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.988 -3.514 15.985 1.00 0.00 H new ATOM 0 HD2 PRO A 8 19.880 -5.744 14.102 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.512 -5.734 15.196 1.00 0.00 H new ATOM 82 N ILE A 9 18.475 -1.922 11.060 1.00 0.00 N ATOM 83 CA ILE A 9 18.685 -1.570 9.644 1.00 0.00 C ATOM 84 C ILE A 9 18.529 -0.052 9.414 1.00 0.00 C ATOM 85 O ILE A 9 17.818 0.631 10.155 1.00 0.00 O ATOM 86 CB ILE A 9 17.734 -2.416 8.752 1.00 0.00 C ATOM 87 CG1 ILE A 9 18.063 -2.387 7.243 1.00 0.00 C ATOM 88 CG2 ILE A 9 16.254 -2.043 8.950 1.00 0.00 C ATOM 89 CD1 ILE A 9 19.472 -2.885 6.897 1.00 0.00 C ATOM 0 H ILE A 9 17.882 -1.253 11.550 1.00 0.00 H new ATOM 0 HA ILE A 9 19.709 -1.810 9.359 1.00 0.00 H new ATOM 0 HB ILE A 9 17.907 -3.435 9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.333 -2.998 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 9 17.951 -1.366 6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.633 -2.663 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.973 -2.208 9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.106 -0.993 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 9 19.622 -2.832 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.212 -2.260 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.585 -3.917 7.229 1.00 0.00 H new ATOM 101 N SER A 10 19.178 0.477 8.373 1.00 0.00 N ATOM 102 CA SER A 10 19.115 1.889 7.946 1.00 0.00 C ATOM 103 C SER A 10 17.927 2.225 7.018 1.00 0.00 C ATOM 104 O SER A 10 17.799 3.356 6.546 1.00 0.00 O ATOM 105 CB SER A 10 20.448 2.269 7.286 1.00 0.00 C ATOM 106 OG SER A 10 20.741 1.387 6.209 1.00 0.00 O ATOM 0 H SER A 10 19.787 -0.084 7.777 1.00 0.00 H new ATOM 0 HA SER A 10 18.943 2.483 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.400 3.295 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 10 21.250 2.230 8.024 1.00 0.00 H new ATOM 0 HG SER A 10 21.593 1.644 5.798 1.00 0.00 H new ATOM 112 N GLU A 11 17.053 1.253 6.743 1.00 0.00 N ATOM 113 CA GLU A 11 15.899 1.366 5.840 1.00 0.00 C ATOM 114 C GLU A 11 14.750 2.222 6.426 1.00 0.00 C ATOM 115 O GLU A 11 14.650 2.417 7.643 1.00 0.00 O ATOM 116 CB GLU A 11 15.455 -0.059 5.453 1.00 0.00 C ATOM 117 CG GLU A 11 14.451 -0.121 4.295 1.00 0.00 C ATOM 118 CD GLU A 11 14.320 -1.560 3.759 1.00 0.00 C ATOM 119 OE1 GLU A 11 14.933 -1.877 2.710 1.00 0.00 O ATOM 120 OE2 GLU A 11 13.606 -2.383 4.380 1.00 0.00 O ATOM 0 H GLU A 11 17.132 0.326 7.160 1.00 0.00 H new ATOM 0 HA GLU A 11 16.195 1.908 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.337 -0.640 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.013 -0.538 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.478 0.236 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.773 0.543 3.493 1.00 0.00 H new ATOM 127 N ARG A 12 13.882 2.744 5.547 1.00 0.00 N ATOM 128 CA ARG A 12 12.733 3.615 5.873 1.00 0.00 C ATOM 129 C ARG A 12 11.660 2.912 6.727 1.00 0.00 C ATOM 130 O ARG A 12 11.626 1.684 6.826 1.00 0.00 O ATOM 131 CB ARG A 12 12.134 4.175 4.567 1.00 0.00 C ATOM 132 CG ARG A 12 13.114 5.088 3.809 1.00 0.00 C ATOM 133 CD ARG A 12 12.512 5.572 2.486 1.00 0.00 C ATOM 134 NE ARG A 12 13.464 6.429 1.749 1.00 0.00 N ATOM 135 CZ ARG A 12 13.563 6.569 0.438 1.00 0.00 C ATOM 136 NH1 ARG A 12 12.797 5.918 -0.390 1.00 0.00 N ATOM 137 NH2 ARG A 12 14.447 7.376 -0.072 1.00 0.00 N ATOM 0 H ARG A 12 13.961 2.566 4.546 1.00 0.00 H new ATOM 0 HA ARG A 12 13.102 4.435 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.842 3.347 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.227 4.734 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.370 5.946 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.041 4.548 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.240 4.714 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.595 6.127 2.682 1.00 0.00 H new ATOM 0 HE ARG A 12 14.117 6.972 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.091 5.274 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.903 6.052 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.068 7.905 0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.519 7.480 -1.084 1.00 0.00 H new ATOM 151 N ASN A 13 10.779 3.702 7.347 1.00 0.00 N ATOM 152 CA ASN A 13 9.819 3.250 8.364 1.00 0.00 C ATOM 153 C ASN A 13 8.709 2.348 7.780 1.00 0.00 C ATOM 154 O ASN A 13 7.692 2.827 7.270 1.00 0.00 O ATOM 155 CB ASN A 13 9.235 4.479 9.096 1.00 0.00 C ATOM 156 CG ASN A 13 10.231 5.237 9.965 1.00 0.00 C ATOM 157 OD1 ASN A 13 11.369 4.840 10.178 1.00 0.00 O ATOM 158 ND2 ASN A 13 9.827 6.361 10.510 1.00 0.00 N ATOM 0 H ASN A 13 10.710 4.701 7.152 1.00 0.00 H new ATOM 0 HA ASN A 13 10.352 2.626 9.081 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.825 5.165 8.355 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.404 4.151 9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.460 6.896 11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.880 6.700 10.338 1.00 0.00 H new ATOM 165 N GLN A 14 8.875 1.029 7.913 1.00 0.00 N ATOM 166 CA GLN A 14 7.929 0.025 7.408 1.00 0.00 C ATOM 167 C GLN A 14 6.597 0.001 8.193 1.00 0.00 C ATOM 168 O GLN A 14 5.576 -0.440 7.670 1.00 0.00 O ATOM 169 CB GLN A 14 8.640 -1.340 7.373 1.00 0.00 C ATOM 170 CG GLN A 14 7.877 -2.380 6.540 1.00 0.00 C ATOM 171 CD GLN A 14 8.650 -3.690 6.398 1.00 0.00 C ATOM 172 OE1 GLN A 14 9.331 -3.941 5.412 1.00 0.00 O ATOM 173 NE2 GLN A 14 8.577 -4.572 7.370 1.00 0.00 N ATOM 0 H GLN A 14 9.683 0.620 8.382 1.00 0.00 H new ATOM 0 HA GLN A 14 7.630 0.293 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.641 -1.214 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.758 -1.711 8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.912 -2.579 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.674 -1.971 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.013 -4.374 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.084 -5.454 7.298 1.00 0.00 H new ATOM 182 N ASP A 15 6.562 0.552 9.412 1.00 0.00 N ATOM 183 CA ASP A 15 5.341 0.707 10.220 1.00 0.00 C ATOM 184 C ASP A 15 4.301 1.634 9.565 1.00 0.00 C ATOM 185 O ASP A 15 3.101 1.372 9.650 1.00 0.00 O ATOM 186 CB ASP A 15 5.716 1.238 11.611 1.00 0.00 C ATOM 187 CG ASP A 15 6.645 0.274 12.367 1.00 0.00 C ATOM 188 OD1 ASP A 15 7.874 0.520 12.388 1.00 0.00 O ATOM 189 OD2 ASP A 15 6.148 -0.728 12.933 1.00 0.00 O ATOM 0 H ASP A 15 7.397 0.910 9.876 1.00 0.00 H new ATOM 0 HA ASP A 15 4.877 -0.276 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.205 2.207 11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.809 1.399 12.194 1.00 0.00 H new ATOM 194 N ALA A 16 4.752 2.674 8.858 1.00 0.00 N ATOM 195 CA ALA A 16 3.927 3.581 8.060 1.00 0.00 C ATOM 196 C ALA A 16 3.867 3.176 6.571 1.00 0.00 C ATOM 197 O ALA A 16 3.374 3.935 5.739 1.00 0.00 O ATOM 198 CB ALA A 16 4.434 5.012 8.279 1.00 0.00 C ATOM 0 H ALA A 16 5.742 2.916 8.826 1.00 0.00 H new ATOM 0 HA ALA A 16 2.891 3.520 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.832 5.705 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.356 5.268 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.476 5.081 7.965 1.00 0.00 H new ATOM 204 N THR A 17 4.353 1.983 6.219 1.00 0.00 N ATOM 205 CA THR A 17 4.223 1.409 4.872 1.00 0.00 C ATOM 206 C THR A 17 3.072 0.404 4.852 1.00 0.00 C ATOM 207 O THR A 17 2.929 -0.409 5.766 1.00 0.00 O ATOM 208 CB THR A 17 5.553 0.798 4.393 1.00 0.00 C ATOM 209 OG1 THR A 17 6.573 1.770 4.461 1.00 0.00 O ATOM 210 CG2 THR A 17 5.538 0.325 2.937 1.00 0.00 C ATOM 0 H THR A 17 4.855 1.378 6.869 1.00 0.00 H new ATOM 0 HA THR A 17 3.985 2.203 4.164 1.00 0.00 H new ATOM 0 HB THR A 17 5.719 -0.059 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.755 1.988 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.512 -0.092 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.771 -0.439 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.320 1.169 2.282 1.00 0.00 H new ATOM 218 N VAL A 18 2.244 0.443 3.809 1.00 0.00 N ATOM 219 CA VAL A 18 1.201 -0.559 3.537 1.00 0.00 C ATOM 220 C VAL A 18 1.658 -1.513 2.438 1.00 0.00 C ATOM 221 O VAL A 18 2.378 -1.109 1.528 1.00 0.00 O ATOM 222 CB VAL A 18 -0.170 0.067 3.205 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.618 1.023 4.312 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.204 0.847 1.889 1.00 0.00 C ATOM 0 H VAL A 18 2.276 1.186 3.111 1.00 0.00 H new ATOM 0 HA VAL A 18 1.054 -1.124 4.457 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.841 -0.787 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.587 1.451 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.701 0.478 5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.114 1.823 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.203 1.253 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.517 1.663 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.050 0.181 1.065 1.00 0.00 H new ATOM 234 N TYR A 19 1.220 -2.764 2.516 1.00 0.00 N ATOM 235 CA TYR A 19 1.336 -3.789 1.480 1.00 0.00 C ATOM 236 C TYR A 19 0.039 -3.824 0.661 1.00 0.00 C ATOM 237 O TYR A 19 -1.050 -3.698 1.225 1.00 0.00 O ATOM 238 CB TYR A 19 1.606 -5.142 2.156 1.00 0.00 C ATOM 239 CG TYR A 19 1.396 -6.360 1.270 1.00 0.00 C ATOM 240 CD1 TYR A 19 0.114 -6.936 1.165 1.00 0.00 C ATOM 241 CD2 TYR A 19 2.473 -6.916 0.554 1.00 0.00 C ATOM 242 CE1 TYR A 19 -0.095 -8.066 0.350 1.00 0.00 C ATOM 243 CE2 TYR A 19 2.271 -8.050 -0.256 1.00 0.00 C ATOM 244 CZ TYR A 19 0.988 -8.627 -0.363 1.00 0.00 C ATOM 245 OH TYR A 19 0.804 -9.726 -1.146 1.00 0.00 O ATOM 0 H TYR A 19 0.747 -3.112 3.350 1.00 0.00 H new ATOM 0 HA TYR A 19 2.161 -3.566 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.633 -5.150 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.958 -5.230 3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.713 -6.509 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.455 -6.472 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.080 -8.502 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.101 -8.480 -0.797 1.00 0.00 H new ATOM 0 HH TYR A 19 1.655 -9.976 -1.563 1.00 0.00 H new ATOM 255 N VAL A 20 0.153 -4.028 -0.652 1.00 0.00 N ATOM 256 CA VAL A 20 -0.964 -4.137 -1.602 1.00 0.00 C ATOM 257 C VAL A 20 -0.751 -5.366 -2.488 1.00 0.00 C ATOM 258 O VAL A 20 0.128 -5.366 -3.349 1.00 0.00 O ATOM 259 CB VAL A 20 -1.091 -2.870 -2.474 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.370 -2.946 -3.317 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.131 -1.574 -1.651 1.00 0.00 C ATOM 0 H VAL A 20 1.062 -4.126 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.890 -4.241 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.202 -2.840 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.455 -2.049 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.329 -3.824 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.236 -3.019 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.221 -0.720 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.987 -1.598 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.213 -1.484 -1.070 1.00 0.00 H new ATOM 271 N GLY A 21 -1.552 -6.414 -2.296 1.00 0.00 N ATOM 272 CA GLY A 21 -1.510 -7.645 -3.089 1.00 0.00 C ATOM 273 C GLY A 21 -2.651 -7.738 -4.103 1.00 0.00 C ATOM 274 O GLY A 21 -3.770 -7.303 -3.823 1.00 0.00 O ATOM 0 H GLY A 21 -2.266 -6.432 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.557 -7.700 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.554 -8.504 -2.420 1.00 0.00 H new ATOM 278 N GLY A 22 -2.380 -8.337 -5.265 1.00 0.00 N ATOM 279 CA GLY A 22 -3.375 -8.622 -6.313 1.00 0.00 C ATOM 280 C GLY A 22 -3.409 -7.580 -7.437 1.00 0.00 C ATOM 281 O GLY A 22 -4.477 -7.275 -7.972 1.00 0.00 O ATOM 0 H GLY A 22 -1.441 -8.647 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.164 -9.601 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.363 -8.681 -5.856 1.00 0.00 H new ATOM 285 N LEU A 23 -2.252 -7.000 -7.766 1.00 0.00 N ATOM 286 CA LEU A 23 -2.097 -5.914 -8.729 1.00 0.00 C ATOM 287 C LEU A 23 -2.191 -6.428 -10.169 1.00 0.00 C ATOM 288 O LEU A 23 -1.724 -7.524 -10.489 1.00 0.00 O ATOM 289 CB LEU A 23 -0.746 -5.211 -8.499 1.00 0.00 C ATOM 290 CG LEU A 23 -0.560 -4.568 -7.114 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.802 -3.885 -7.059 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.640 -3.535 -6.805 1.00 0.00 C ATOM 0 H LEU A 23 -1.365 -7.287 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.908 -5.202 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.052 -5.937 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.625 -4.438 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.633 -5.362 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.940 -3.427 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.586 -4.623 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.855 -3.116 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.465 -3.110 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.609 -2.742 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.619 -4.015 -6.825 1.00 0.00 H new ATOM 304 N ASP A 24 -2.751 -5.605 -11.053 1.00 0.00 N ATOM 305 CA ASP A 24 -2.826 -5.889 -12.486 1.00 0.00 C ATOM 306 C ASP A 24 -1.546 -5.460 -13.233 1.00 0.00 C ATOM 307 O ASP A 24 -0.819 -4.574 -12.785 1.00 0.00 O ATOM 308 CB ASP A 24 -4.075 -5.206 -13.060 1.00 0.00 C ATOM 309 CG ASP A 24 -4.241 -5.508 -14.551 1.00 0.00 C ATOM 310 OD1 ASP A 24 -3.913 -4.627 -15.376 1.00 0.00 O ATOM 311 OD2 ASP A 24 -4.639 -6.642 -14.892 1.00 0.00 O ATOM 0 H ASP A 24 -3.170 -4.712 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.905 -6.967 -12.629 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.958 -5.544 -12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.003 -4.129 -12.911 1.00 0.00 H new ATOM 316 N GLU A 25 -1.274 -6.038 -14.406 1.00 0.00 N ATOM 317 CA GLU A 25 -0.108 -5.699 -15.241 1.00 0.00 C ATOM 318 C GLU A 25 -0.033 -4.215 -15.670 1.00 0.00 C ATOM 319 O GLU A 25 1.058 -3.728 -15.980 1.00 0.00 O ATOM 320 CB GLU A 25 -0.054 -6.635 -16.462 1.00 0.00 C ATOM 321 CG GLU A 25 -1.230 -6.471 -17.437 1.00 0.00 C ATOM 322 CD GLU A 25 -1.101 -7.448 -18.622 1.00 0.00 C ATOM 323 OE1 GLU A 25 -0.496 -7.076 -19.658 1.00 0.00 O ATOM 324 OE2 GLU A 25 -1.606 -8.593 -18.530 1.00 0.00 O ATOM 0 H GLU A 25 -1.863 -6.765 -14.812 1.00 0.00 H new ATOM 0 HA GLU A 25 0.771 -5.850 -14.615 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.877 -6.457 -17.001 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.028 -7.667 -16.113 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.169 -6.650 -16.914 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.261 -5.446 -17.807 1.00 0.00 H new ATOM 331 N LYS A 26 -1.155 -3.475 -15.646 1.00 0.00 N ATOM 332 CA LYS A 26 -1.207 -2.024 -15.911 1.00 0.00 C ATOM 333 C LYS A 26 -0.804 -1.145 -14.714 1.00 0.00 C ATOM 334 O LYS A 26 -0.604 0.059 -14.888 1.00 0.00 O ATOM 335 CB LYS A 26 -2.607 -1.651 -16.431 1.00 0.00 C ATOM 336 CG LYS A 26 -2.896 -2.302 -17.795 1.00 0.00 C ATOM 337 CD LYS A 26 -4.253 -1.889 -18.385 1.00 0.00 C ATOM 338 CE LYS A 26 -5.473 -2.296 -17.544 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.583 -3.769 -17.385 1.00 0.00 N ATOM 0 H LYS A 26 -2.070 -3.875 -15.438 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.455 -1.816 -16.672 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.360 -1.967 -15.709 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.686 -0.568 -16.520 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.105 -2.032 -18.495 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.869 -3.386 -17.686 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.263 -0.807 -18.514 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.351 -2.329 -19.378 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.405 -1.831 -16.561 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.379 -1.915 -18.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.581 -4.031 -17.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.209 -4.239 -18.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.036 -4.070 -16.554 1.00 0.00 H new ATOM 353 N VAL A 27 -0.666 -1.710 -13.509 1.00 0.00 N ATOM 354 CA VAL A 27 -0.243 -0.986 -12.294 1.00 0.00 C ATOM 355 C VAL A 27 1.263 -0.689 -12.317 1.00 0.00 C ATOM 356 O VAL A 27 2.066 -1.565 -12.648 1.00 0.00 O ATOM 357 CB VAL A 27 -0.625 -1.760 -11.013 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.211 -1.007 -9.744 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.140 -1.997 -10.928 1.00 0.00 C ATOM 0 H VAL A 27 -0.847 -2.700 -13.343 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.776 -0.035 -12.284 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.094 -2.710 -11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.499 -1.587 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.869 -0.860 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.709 -0.038 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.372 -2.544 -10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.658 -1.038 -10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.466 -2.577 -11.791 1.00 0.00 H new ATOM 369 N SER A 28 1.641 0.524 -11.899 1.00 0.00 N ATOM 370 CA SER A 28 3.037 0.957 -11.699 1.00 0.00 C ATOM 371 C SER A 28 3.196 1.746 -10.391 1.00 0.00 C ATOM 372 O SER A 28 2.218 2.260 -9.848 1.00 0.00 O ATOM 373 CB SER A 28 3.507 1.823 -12.879 1.00 0.00 C ATOM 374 OG SER A 28 3.454 1.109 -14.105 1.00 0.00 O ATOM 0 H SER A 28 0.966 1.258 -11.683 1.00 0.00 H new ATOM 0 HA SER A 28 3.652 0.059 -11.640 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.883 2.714 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.527 2.162 -12.699 1.00 0.00 H new ATOM 0 HG SER A 28 3.758 1.689 -14.835 1.00 0.00 H new ATOM 380 N GLU A 29 4.422 1.903 -9.888 1.00 0.00 N ATOM 381 CA GLU A 29 4.689 2.642 -8.639 1.00 0.00 C ATOM 382 C GLU A 29 4.150 4.094 -8.638 1.00 0.00 C ATOM 383 O GLU A 29 3.497 4.470 -7.659 1.00 0.00 O ATOM 384 CB GLU A 29 6.201 2.606 -8.330 1.00 0.00 C ATOM 385 CG GLU A 29 6.620 1.312 -7.617 1.00 0.00 C ATOM 386 CD GLU A 29 7.926 0.712 -8.171 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.881 0.498 -7.388 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.987 0.378 -9.381 1.00 0.00 O ATOM 0 H GLU A 29 5.260 1.525 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 29 4.137 2.135 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.762 2.704 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.463 3.462 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.743 1.514 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.821 0.577 -7.712 1.00 0.00 H new ATOM 395 N PRO A 30 4.295 4.900 -9.717 1.00 0.00 N ATOM 396 CA PRO A 30 3.695 6.236 -9.781 1.00 0.00 C ATOM 397 C PRO A 30 2.160 6.235 -9.722 1.00 0.00 C ATOM 398 O PRO A 30 1.575 7.192 -9.211 1.00 0.00 O ATOM 399 CB PRO A 30 4.192 6.857 -11.093 1.00 0.00 C ATOM 400 CG PRO A 30 5.497 6.116 -11.362 1.00 0.00 C ATOM 401 CD PRO A 30 5.171 4.712 -10.865 1.00 0.00 C ATOM 0 HA PRO A 30 3.996 6.811 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.475 6.715 -11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.352 7.931 -10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.760 6.124 -12.420 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.335 6.556 -10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.680 4.125 -11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.077 4.175 -10.584 1.00 0.00 H new ATOM 409 N LEU A 31 1.498 5.161 -10.187 1.00 0.00 N ATOM 410 CA LEU A 31 0.050 5.004 -10.033 1.00 0.00 C ATOM 411 C LEU A 31 -0.289 4.843 -8.556 1.00 0.00 C ATOM 412 O LEU A 31 -1.093 5.612 -8.038 1.00 0.00 O ATOM 413 CB LEU A 31 -0.479 3.796 -10.827 1.00 0.00 C ATOM 414 CG LEU A 31 -2.012 3.635 -10.744 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.705 4.660 -11.632 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.389 2.239 -11.228 1.00 0.00 C ATOM 0 H LEU A 31 1.950 4.388 -10.674 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.432 5.897 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.188 3.901 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.005 2.889 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.327 3.785 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.785 4.532 -11.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.437 5.665 -11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.390 4.518 -12.666 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.471 2.115 -11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.061 2.110 -12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.906 1.493 -10.598 1.00 0.00 H new ATOM 428 N LEU A 32 0.343 3.876 -7.878 1.00 0.00 N ATOM 429 CA LEU A 32 0.075 3.605 -6.464 1.00 0.00 C ATOM 430 C LEU A 32 0.263 4.858 -5.612 1.00 0.00 C ATOM 431 O LEU A 32 -0.579 5.147 -4.770 1.00 0.00 O ATOM 432 CB LEU A 32 0.981 2.488 -5.919 1.00 0.00 C ATOM 433 CG LEU A 32 0.836 1.112 -6.579 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.570 0.065 -5.745 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.622 0.672 -6.666 1.00 0.00 C ATOM 0 H LEU A 32 1.048 3.266 -8.292 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.964 3.281 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.018 2.808 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.785 2.378 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 32 1.251 1.196 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.466 -0.913 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.626 0.326 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.142 0.033 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.679 -0.308 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.045 0.615 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.185 1.394 -7.257 1.00 0.00 H new ATOM 447 N TRP A 33 1.313 5.635 -5.873 1.00 0.00 N ATOM 448 CA TRP A 33 1.591 6.878 -5.157 1.00 0.00 C ATOM 449 C TRP A 33 0.415 7.853 -5.260 1.00 0.00 C ATOM 450 O TRP A 33 -0.220 8.175 -4.257 1.00 0.00 O ATOM 451 CB TRP A 33 2.887 7.487 -5.706 1.00 0.00 C ATOM 452 CG TRP A 33 3.540 8.564 -4.893 1.00 0.00 C ATOM 453 CD1 TRP A 33 2.946 9.586 -4.233 1.00 0.00 C ATOM 454 CD2 TRP A 33 4.969 8.730 -4.668 1.00 0.00 C ATOM 455 NE1 TRP A 33 3.909 10.349 -3.596 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.178 9.869 -3.837 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.107 8.021 -5.099 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.459 10.283 -3.447 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.401 8.425 -4.716 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.577 9.553 -3.893 1.00 0.00 C ATOM 0 H TRP A 33 2.001 5.417 -6.594 1.00 0.00 H new ATOM 0 HA TRP A 33 1.722 6.666 -4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.608 6.681 -5.839 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.676 7.893 -6.696 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.883 9.777 -4.208 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.705 11.165 -3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.986 7.155 -5.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.586 11.149 -2.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.261 7.867 -5.055 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.571 9.859 -3.603 1.00 0.00 H new ATOM 471 N GLU A 34 0.092 8.292 -6.477 1.00 0.00 N ATOM 472 CA GLU A 34 -0.969 9.278 -6.729 1.00 0.00 C ATOM 473 C GLU A 34 -2.378 8.778 -6.372 1.00 0.00 C ATOM 474 O GLU A 34 -3.235 9.571 -5.979 1.00 0.00 O ATOM 475 CB GLU A 34 -0.926 9.715 -8.200 1.00 0.00 C ATOM 476 CG GLU A 34 0.346 10.513 -8.509 1.00 0.00 C ATOM 477 CD GLU A 34 0.249 11.210 -9.880 1.00 0.00 C ATOM 478 OE1 GLU A 34 -0.211 12.376 -9.939 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.637 10.608 -10.911 1.00 0.00 O ATOM 0 H GLU A 34 0.561 7.973 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.771 10.123 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.972 8.837 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.802 10.322 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.509 11.258 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.208 9.846 -8.498 1.00 0.00 H new ATOM 486 N LEU A 35 -2.619 7.468 -6.459 1.00 0.00 N ATOM 487 CA LEU A 35 -3.884 6.834 -6.071 1.00 0.00 C ATOM 488 C LEU A 35 -4.068 6.809 -4.540 1.00 0.00 C ATOM 489 O LEU A 35 -5.179 7.003 -4.049 1.00 0.00 O ATOM 490 CB LEU A 35 -3.925 5.412 -6.664 1.00 0.00 C ATOM 491 CG LEU A 35 -5.331 4.809 -6.768 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.090 5.333 -7.988 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.247 3.285 -6.845 1.00 0.00 C ATOM 0 H LEU A 35 -1.928 6.804 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.713 7.420 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.478 5.433 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.307 4.757 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.876 5.109 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.081 4.880 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.189 6.416 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.542 5.077 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.252 2.868 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.669 2.996 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.760 2.902 -5.948 1.00 0.00 H new ATOM 505 N PHE A 36 -2.993 6.602 -3.771 1.00 0.00 N ATOM 506 CA PHE A 36 -3.022 6.470 -2.308 1.00 0.00 C ATOM 507 C PHE A 36 -2.924 7.818 -1.571 1.00 0.00 C ATOM 508 O PHE A 36 -3.230 7.879 -0.379 1.00 0.00 O ATOM 509 CB PHE A 36 -1.957 5.459 -1.862 1.00 0.00 C ATOM 510 CG PHE A 36 -2.381 3.994 -1.931 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.459 3.226 -0.752 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.688 3.382 -3.163 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.870 1.880 -0.802 1.00 0.00 C ATOM 514 CE2 PHE A 36 -3.072 2.030 -3.219 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.183 1.284 -2.035 1.00 0.00 C ATOM 0 H PHE A 36 -2.053 6.519 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.001 6.084 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.070 5.593 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.668 5.689 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.202 3.673 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.628 3.958 -4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.945 1.305 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.281 1.566 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.508 0.255 -2.072 1.00 0.00 H new ATOM 525 N LEU A 37 -2.613 8.916 -2.273 1.00 0.00 N ATOM 526 CA LEU A 37 -2.712 10.294 -1.757 1.00 0.00 C ATOM 527 C LEU A 37 -4.103 10.650 -1.185 1.00 0.00 C ATOM 528 O LEU A 37 -4.234 11.573 -0.379 1.00 0.00 O ATOM 529 CB LEU A 37 -2.355 11.280 -2.887 1.00 0.00 C ATOM 530 CG LEU A 37 -0.860 11.440 -3.204 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.675 12.478 -4.309 1.00 0.00 C ATOM 532 CD2 LEU A 37 -0.053 11.895 -1.990 1.00 0.00 C ATOM 0 H LEU A 37 -2.278 8.874 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.011 10.369 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.865 10.959 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.756 12.259 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.497 10.460 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.387 12.588 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.201 12.152 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.078 13.436 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.997 11.993 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.428 12.858 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.151 11.159 -1.192 1.00 0.00 H new ATOM 544 N GLN A 38 -5.138 9.901 -1.575 1.00 0.00 N ATOM 545 CA GLN A 38 -6.511 9.994 -1.051 1.00 0.00 C ATOM 546 C GLN A 38 -6.594 9.666 0.449 1.00 0.00 C ATOM 547 O GLN A 38 -7.415 10.240 1.168 1.00 0.00 O ATOM 548 CB GLN A 38 -7.422 9.013 -1.810 1.00 0.00 C ATOM 549 CG GLN A 38 -7.403 9.250 -3.325 1.00 0.00 C ATOM 550 CD GLN A 38 -8.266 8.266 -4.121 1.00 0.00 C ATOM 551 OE1 GLN A 38 -8.975 7.417 -3.595 1.00 0.00 O ATOM 552 NE2 GLN A 38 -8.257 8.359 -5.434 1.00 0.00 N ATOM 0 H GLN A 38 -5.043 9.183 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.834 11.025 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.105 7.991 -1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.443 9.111 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.746 10.265 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.374 9.184 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.673 9.059 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.834 7.731 -5.994 1.00 0.00 H new ATOM 561 N ALA A 39 -5.745 8.748 0.921 1.00 0.00 N ATOM 562 CA ALA A 39 -5.672 8.355 2.328 1.00 0.00 C ATOM 563 C ALA A 39 -4.878 9.355 3.183 1.00 0.00 C ATOM 564 O ALA A 39 -5.321 9.747 4.265 1.00 0.00 O ATOM 565 CB ALA A 39 -5.041 6.965 2.411 1.00 0.00 C ATOM 0 H ALA A 39 -5.081 8.251 0.327 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.684 8.343 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.979 6.655 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.654 6.254 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.040 6.994 1.980 1.00 0.00 H new ATOM 571 N GLY A 40 -3.712 9.774 2.688 1.00 0.00 N ATOM 572 CA GLY A 40 -2.820 10.716 3.365 1.00 0.00 C ATOM 573 C GLY A 40 -1.551 11.031 2.560 1.00 0.00 C ATOM 574 O GLY A 40 -1.438 10.620 1.404 1.00 0.00 O ATOM 0 H GLY A 40 -3.354 9.461 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.360 11.643 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.536 10.305 4.334 1.00 0.00 H new ATOM 578 N PRO A 41 -0.580 11.751 3.148 1.00 0.00 N ATOM 579 CA PRO A 41 0.663 12.133 2.483 1.00 0.00 C ATOM 580 C PRO A 41 1.552 10.910 2.207 1.00 0.00 C ATOM 581 O PRO A 41 2.141 10.325 3.121 1.00 0.00 O ATOM 582 CB PRO A 41 1.324 13.156 3.417 1.00 0.00 C ATOM 583 CG PRO A 41 0.783 12.780 4.796 1.00 0.00 C ATOM 584 CD PRO A 41 -0.632 12.295 4.495 1.00 0.00 C ATOM 0 HA PRO A 41 0.487 12.568 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.411 13.089 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.058 14.178 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.384 12.001 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.780 13.633 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.947 11.537 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.349 13.113 4.560 1.00 0.00 H new ATOM 592 N VAL A 42 1.656 10.538 0.928 1.00 0.00 N ATOM 593 CA VAL A 42 2.545 9.478 0.434 1.00 0.00 C ATOM 594 C VAL A 42 3.947 10.045 0.196 1.00 0.00 C ATOM 595 O VAL A 42 4.114 11.101 -0.420 1.00 0.00 O ATOM 596 CB VAL A 42 1.999 8.805 -0.840 1.00 0.00 C ATOM 597 CG1 VAL A 42 2.955 7.716 -1.343 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.633 8.150 -0.599 1.00 0.00 C ATOM 0 H VAL A 42 1.110 10.977 0.186 1.00 0.00 H new ATOM 0 HA VAL A 42 2.597 8.703 1.198 1.00 0.00 H new ATOM 0 HB VAL A 42 1.900 9.597 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.544 7.258 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.924 8.160 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.077 6.955 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.284 7.687 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.726 7.389 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.083 8.908 -0.280 1.00 0.00 H new ATOM 608 N VAL A 43 4.951 9.324 0.688 1.00 0.00 N ATOM 609 CA VAL A 43 6.366 9.726 0.748 1.00 0.00 C ATOM 610 C VAL A 43 7.230 8.930 -0.239 1.00 0.00 C ATOM 611 O VAL A 43 8.214 9.456 -0.761 1.00 0.00 O ATOM 612 CB VAL A 43 6.896 9.527 2.188 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.241 10.218 2.423 1.00 0.00 C ATOM 614 CG2 VAL A 43 5.933 10.077 3.246 1.00 0.00 C ATOM 0 H VAL A 43 4.798 8.394 1.078 1.00 0.00 H new ATOM 0 HA VAL A 43 6.429 10.777 0.466 1.00 0.00 H new ATOM 0 HB VAL A 43 7.002 8.447 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.565 10.045 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.983 9.813 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.135 11.289 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.351 9.913 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.788 11.145 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.974 9.565 3.167 1.00 0.00 H new ATOM 624 N ASN A 44 6.882 7.658 -0.470 1.00 0.00 N ATOM 625 CA ASN A 44 7.628 6.694 -1.286 1.00 0.00 C ATOM 626 C ASN A 44 6.721 5.507 -1.716 1.00 0.00 C ATOM 627 O ASN A 44 5.654 5.288 -1.139 1.00 0.00 O ATOM 628 CB ASN A 44 8.853 6.273 -0.441 1.00 0.00 C ATOM 629 CG ASN A 44 9.673 5.128 -0.997 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.010 5.088 -2.170 1.00 0.00 O ATOM 631 ND2 ASN A 44 10.051 4.184 -0.164 1.00 0.00 N ATOM 0 H ASN A 44 6.033 7.255 -0.074 1.00 0.00 H new ATOM 0 HA ASN A 44 7.970 7.125 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.505 7.139 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.507 5.997 0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.629 3.412 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.766 4.223 0.815 1.00 0.00 H new ATOM 638 N THR A 45 7.152 4.718 -2.703 1.00 0.00 N ATOM 639 CA THR A 45 6.487 3.491 -3.200 1.00 0.00 C ATOM 640 C THR A 45 7.505 2.403 -3.561 1.00 0.00 C ATOM 641 O THR A 45 8.641 2.711 -3.926 1.00 0.00 O ATOM 642 CB THR A 45 5.629 3.750 -4.453 1.00 0.00 C ATOM 643 OG1 THR A 45 6.269 4.634 -5.352 1.00 0.00 O ATOM 644 CG2 THR A 45 4.261 4.331 -4.120 1.00 0.00 C ATOM 0 H THR A 45 8.015 4.919 -3.208 1.00 0.00 H new ATOM 0 HA THR A 45 5.848 3.162 -2.380 1.00 0.00 H new ATOM 0 HB THR A 45 5.499 2.771 -4.915 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.697 4.774 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.701 4.493 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.716 3.636 -3.481 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.386 5.281 -3.600 1.00 0.00 H new ATOM 652 N HIS A 46 7.098 1.130 -3.502 1.00 0.00 N ATOM 653 CA HIS A 46 7.928 -0.014 -3.907 1.00 0.00 C ATOM 654 C HIS A 46 7.085 -1.089 -4.602 1.00 0.00 C ATOM 655 O HIS A 46 6.038 -1.466 -4.089 1.00 0.00 O ATOM 656 CB HIS A 46 8.622 -0.597 -2.662 1.00 0.00 C ATOM 657 CG HIS A 46 9.635 -1.677 -2.964 1.00 0.00 C ATOM 658 ND1 HIS A 46 10.352 -1.823 -4.156 1.00 0.00 N ATOM 659 CD2 HIS A 46 9.997 -2.676 -2.109 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.135 -2.903 -3.988 1.00 0.00 C ATOM 661 NE2 HIS A 46 10.944 -3.431 -2.766 1.00 0.00 N ATOM 0 H HIS A 46 6.173 0.860 -3.168 1.00 0.00 H new ATOM 0 HA HIS A 46 8.679 0.327 -4.620 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.119 0.211 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.863 -1.004 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.616 -2.843 -1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.819 -3.291 -4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.419 -4.251 -2.389 1.00 0.00 H new ATOM 669 N MET A 47 7.530 -1.621 -5.739 1.00 0.00 N ATOM 670 CA MET A 47 6.940 -2.807 -6.381 1.00 0.00 C ATOM 671 C MET A 47 8.064 -3.751 -6.831 1.00 0.00 C ATOM 672 O MET A 47 8.706 -3.471 -7.849 1.00 0.00 O ATOM 673 CB MET A 47 6.036 -2.413 -7.565 1.00 0.00 C ATOM 674 CG MET A 47 4.686 -1.855 -7.096 1.00 0.00 C ATOM 675 SD MET A 47 3.629 -1.121 -8.373 1.00 0.00 S ATOM 676 CE MET A 47 3.386 -2.555 -9.439 1.00 0.00 C ATOM 0 H MET A 47 8.323 -1.238 -6.253 1.00 0.00 H new ATOM 0 HA MET A 47 6.308 -3.323 -5.658 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.544 -1.667 -8.177 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.868 -3.284 -8.199 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.132 -2.661 -6.616 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.875 -1.100 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.338 -2.618 -9.730 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.005 -2.455 -10.331 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.668 -3.460 -8.901 1.00 0.00 H new ATOM 686 N PRO A 48 8.325 -4.858 -6.109 1.00 0.00 N ATOM 687 CA PRO A 48 9.321 -5.856 -6.501 1.00 0.00 C ATOM 688 C PRO A 48 9.095 -6.398 -7.920 1.00 0.00 C ATOM 689 O PRO A 48 7.956 -6.665 -8.314 1.00 0.00 O ATOM 690 CB PRO A 48 9.232 -6.959 -5.441 1.00 0.00 C ATOM 691 CG PRO A 48 8.778 -6.190 -4.202 1.00 0.00 C ATOM 692 CD PRO A 48 7.802 -5.169 -4.785 1.00 0.00 C ATOM 0 HA PRO A 48 10.318 -5.416 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.519 -7.735 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.192 -7.450 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.296 -6.842 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.614 -5.708 -3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.793 -5.578 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.747 -4.276 -4.163 1.00 0.00 H new ATOM 700 N LYS A 49 10.180 -6.560 -8.688 1.00 0.00 N ATOM 701 CA LYS A 49 10.162 -6.993 -10.099 1.00 0.00 C ATOM 702 C LYS A 49 10.592 -8.454 -10.268 1.00 0.00 C ATOM 703 O LYS A 49 11.321 -9.006 -9.444 1.00 0.00 O ATOM 704 CB LYS A 49 11.013 -6.053 -10.979 1.00 0.00 C ATOM 705 CG LYS A 49 10.681 -4.550 -10.884 1.00 0.00 C ATOM 706 CD LYS A 49 9.211 -4.211 -11.186 1.00 0.00 C ATOM 707 CE LYS A 49 8.945 -2.700 -11.318 1.00 0.00 C ATOM 708 NZ LYS A 49 9.334 -1.939 -10.103 1.00 0.00 N ATOM 0 H LYS A 49 11.123 -6.390 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 49 9.127 -6.930 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.061 -6.190 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.904 -6.364 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.925 -4.198 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.319 -4.003 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.914 -4.706 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.583 -4.615 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.495 -2.312 -12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.886 -2.538 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.768 -1.068 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.163 -2.522 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.343 -1.693 -10.156 1.00 0.00 H new ATOM 722 N ASP A 50 10.128 -9.084 -11.339 1.00 0.00 N ATOM 723 CA ASP A 50 10.475 -10.445 -11.750 1.00 0.00 C ATOM 724 C ASP A 50 11.830 -10.499 -12.488 1.00 0.00 C ATOM 725 O ASP A 50 12.157 -9.600 -13.266 1.00 0.00 O ATOM 726 CB ASP A 50 9.340 -10.982 -12.631 1.00 0.00 C ATOM 727 CG ASP A 50 9.622 -12.424 -13.057 1.00 0.00 C ATOM 728 OD1 ASP A 50 9.331 -13.361 -12.277 1.00 0.00 O ATOM 729 OD2 ASP A 50 10.193 -12.594 -14.157 1.00 0.00 O ATOM 0 H ASP A 50 9.467 -8.642 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 50 10.589 -11.070 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.397 -10.936 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.229 -10.352 -13.514 1.00 0.00 H new ATOM 734 N ARG A 51 12.614 -11.566 -12.280 1.00 0.00 N ATOM 735 CA ARG A 51 13.987 -11.707 -12.814 1.00 0.00 C ATOM 736 C ARG A 51 14.103 -12.293 -14.235 1.00 0.00 C ATOM 737 O ARG A 51 15.221 -12.530 -14.695 1.00 0.00 O ATOM 738 CB ARG A 51 14.875 -12.432 -11.780 1.00 0.00 C ATOM 739 CG ARG A 51 14.542 -13.922 -11.597 1.00 0.00 C ATOM 740 CD ARG A 51 15.432 -14.545 -10.515 1.00 0.00 C ATOM 741 NE ARG A 51 15.137 -15.980 -10.334 1.00 0.00 N ATOM 742 CZ ARG A 51 15.739 -16.809 -9.497 1.00 0.00 C ATOM 743 NH1 ARG A 51 16.700 -16.421 -8.706 1.00 0.00 N ATOM 744 NH2 ARG A 51 15.382 -18.060 -9.438 1.00 0.00 N ATOM 0 H ARG A 51 12.313 -12.370 -11.729 1.00 0.00 H new ATOM 0 HA ARG A 51 14.360 -10.693 -12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.917 -12.339 -12.084 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.778 -11.929 -10.818 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.493 -14.035 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.683 -14.450 -12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.480 -14.419 -10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.282 -14.020 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 51 14.394 -16.372 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.011 -15.450 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.141 -17.089 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.634 -18.406 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.850 -18.694 -8.790 1.00 0.00 H new ATOM 758 N VAL A 52 12.985 -12.534 -14.929 1.00 0.00 N ATOM 759 CA VAL A 52 12.936 -13.189 -16.257 1.00 0.00 C ATOM 760 C VAL A 52 12.051 -12.408 -17.236 1.00 0.00 C ATOM 761 O VAL A 52 12.387 -12.275 -18.414 1.00 0.00 O ATOM 762 CB VAL A 52 12.424 -14.645 -16.136 1.00 0.00 C ATOM 763 CG1 VAL A 52 12.530 -15.399 -17.470 1.00 0.00 C ATOM 764 CG2 VAL A 52 13.204 -15.460 -15.094 1.00 0.00 C ATOM 0 H VAL A 52 12.062 -12.275 -14.581 1.00 0.00 H new ATOM 0 HA VAL A 52 13.953 -13.202 -16.648 1.00 0.00 H new ATOM 0 HB VAL A 52 11.382 -14.552 -15.828 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.161 -16.417 -17.343 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.933 -14.888 -18.225 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.572 -15.428 -17.790 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.804 -16.473 -15.050 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.256 -15.498 -15.375 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.106 -14.989 -14.116 1.00 0.00 H new ATOM 774 N THR A 53 10.940 -11.853 -16.743 1.00 0.00 N ATOM 775 CA THR A 53 9.928 -11.109 -17.512 1.00 0.00 C ATOM 776 C THR A 53 9.966 -9.608 -17.230 1.00 0.00 C ATOM 777 O THR A 53 9.507 -8.809 -18.048 1.00 0.00 O ATOM 778 CB THR A 53 8.512 -11.639 -17.229 1.00 0.00 C ATOM 779 OG1 THR A 53 8.206 -11.554 -15.855 1.00 0.00 O ATOM 780 CG2 THR A 53 8.330 -13.095 -17.659 1.00 0.00 C ATOM 0 H THR A 53 10.707 -11.911 -15.752 1.00 0.00 H new ATOM 0 HA THR A 53 10.174 -11.266 -18.562 1.00 0.00 H new ATOM 0 HB THR A 53 7.841 -11.010 -17.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.868 -12.061 -15.340 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.313 -13.416 -17.436 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.511 -13.183 -18.730 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.036 -13.725 -17.118 1.00 0.00 H new ATOM 788 N GLY A 54 10.529 -9.210 -16.083 1.00 0.00 N ATOM 789 CA GLY A 54 10.773 -7.818 -15.705 1.00 0.00 C ATOM 790 C GLY A 54 9.535 -7.002 -15.300 1.00 0.00 C ATOM 791 O GLY A 54 9.666 -5.818 -14.980 1.00 0.00 O ATOM 0 H GLY A 54 10.836 -9.872 -15.371 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.479 -7.806 -14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.257 -7.315 -16.542 1.00 0.00 H new ATOM 795 N GLN A 55 8.344 -7.614 -15.282 1.00 0.00 N ATOM 796 CA GLN A 55 7.124 -7.021 -14.711 1.00 0.00 C ATOM 797 C GLN A 55 7.155 -7.077 -13.174 1.00 0.00 C ATOM 798 O GLN A 55 8.031 -7.715 -12.589 1.00 0.00 O ATOM 799 CB GLN A 55 5.869 -7.710 -15.285 1.00 0.00 C ATOM 800 CG GLN A 55 5.853 -9.240 -15.119 1.00 0.00 C ATOM 801 CD GLN A 55 4.431 -9.793 -15.047 1.00 0.00 C ATOM 802 OE1 GLN A 55 3.853 -10.236 -16.032 1.00 0.00 O ATOM 803 NE2 GLN A 55 3.801 -9.772 -13.890 1.00 0.00 N ATOM 0 H GLN A 55 8.197 -8.547 -15.668 1.00 0.00 H new ATOM 0 HA GLN A 55 7.082 -5.969 -14.995 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.986 -7.295 -14.799 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.791 -7.471 -16.346 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.379 -9.701 -15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.394 -9.512 -14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.269 -9.406 -13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.845 -10.122 -13.823 1.00 0.00 H new ATOM 812 N HIS A 56 6.196 -6.443 -12.493 1.00 0.00 N ATOM 813 CA HIS A 56 6.043 -6.601 -11.039 1.00 0.00 C ATOM 814 C HIS A 56 5.583 -8.018 -10.649 1.00 0.00 C ATOM 815 O HIS A 56 5.009 -8.751 -11.460 1.00 0.00 O ATOM 816 CB HIS A 56 5.141 -5.499 -10.472 1.00 0.00 C ATOM 817 CG HIS A 56 3.696 -5.600 -10.894 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.776 -6.514 -10.381 1.00 0.00 N ATOM 819 CD2 HIS A 56 3.065 -4.794 -11.798 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.612 -6.247 -10.995 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.754 -5.212 -11.835 1.00 0.00 N ATOM 0 H HIS A 56 5.514 -5.817 -12.921 1.00 0.00 H new ATOM 0 HA HIS A 56 7.025 -6.483 -10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.192 -5.528 -9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.531 -4.530 -10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.506 -3.990 -12.369 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.692 -6.789 -10.835 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.014 -4.803 -12.406 1.00 0.00 H new ATOM 829 N GLN A 57 5.833 -8.409 -9.396 1.00 0.00 N ATOM 830 CA GLN A 57 5.546 -9.751 -8.859 1.00 0.00 C ATOM 831 C GLN A 57 4.067 -9.974 -8.446 1.00 0.00 C ATOM 832 O GLN A 57 3.755 -10.937 -7.740 1.00 0.00 O ATOM 833 CB GLN A 57 6.520 -10.056 -7.703 1.00 0.00 C ATOM 834 CG GLN A 57 7.997 -10.157 -8.130 1.00 0.00 C ATOM 835 CD GLN A 57 8.933 -10.486 -6.961 1.00 0.00 C ATOM 836 OE1 GLN A 57 8.539 -10.960 -5.903 1.00 0.00 O ATOM 837 NE2 GLN A 57 10.223 -10.261 -7.098 1.00 0.00 N ATOM 0 H GLN A 57 6.252 -7.787 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 57 5.704 -10.461 -9.671 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.425 -9.276 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.225 -10.994 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.097 -10.925 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.305 -9.214 -8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.582 -9.867 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.863 -10.481 -6.335 1.00 0.00 H new ATOM 846 N GLY A 58 3.140 -9.097 -8.853 1.00 0.00 N ATOM 847 CA GLY A 58 1.712 -9.142 -8.493 1.00 0.00 C ATOM 848 C GLY A 58 1.348 -8.400 -7.197 1.00 0.00 C ATOM 849 O GLY A 58 0.177 -8.381 -6.809 1.00 0.00 O ATOM 0 H GLY A 58 3.368 -8.311 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.132 -8.718 -9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.410 -10.185 -8.395 1.00 0.00 H new ATOM 853 N TYR A 59 2.324 -7.777 -6.532 1.00 0.00 N ATOM 854 CA TYR A 59 2.144 -7.004 -5.299 1.00 0.00 C ATOM 855 C TYR A 59 3.076 -5.780 -5.237 1.00 0.00 C ATOM 856 O TYR A 59 4.082 -5.698 -5.949 1.00 0.00 O ATOM 857 CB TYR A 59 2.334 -7.912 -4.072 1.00 0.00 C ATOM 858 CG TYR A 59 3.754 -8.398 -3.846 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.604 -7.706 -2.959 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.222 -9.545 -4.515 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.918 -8.163 -2.744 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.542 -9.992 -4.317 1.00 0.00 C ATOM 863 CZ TYR A 59 6.398 -9.295 -3.435 1.00 0.00 C ATOM 864 OH TYR A 59 7.682 -9.706 -3.253 1.00 0.00 O ATOM 0 H TYR A 59 3.294 -7.797 -6.847 1.00 0.00 H new ATOM 0 HA TYR A 59 1.125 -6.618 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.006 -7.371 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.682 -8.779 -4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.247 -6.826 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.566 -10.084 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.561 -7.645 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.900 -10.867 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 59 8.018 -10.106 -4.082 1.00 0.00 H new ATOM 874 N GLY A 60 2.725 -4.823 -4.378 1.00 0.00 N ATOM 875 CA GLY A 60 3.442 -3.570 -4.158 1.00 0.00 C ATOM 876 C GLY A 60 3.284 -3.028 -2.738 1.00 0.00 C ATOM 877 O GLY A 60 2.670 -3.656 -1.875 1.00 0.00 O ATOM 0 H GLY A 60 1.895 -4.905 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.501 -3.723 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.083 -2.824 -4.867 1.00 0.00 H new ATOM 881 N PHE A 61 3.838 -1.840 -2.511 1.00 0.00 N ATOM 882 CA PHE A 61 3.842 -1.131 -1.237 1.00 0.00 C ATOM 883 C PHE A 61 3.740 0.387 -1.426 1.00 0.00 C ATOM 884 O PHE A 61 4.241 0.938 -2.413 1.00 0.00 O ATOM 885 CB PHE A 61 5.134 -1.418 -0.459 1.00 0.00 C ATOM 886 CG PHE A 61 5.479 -2.870 -0.193 1.00 0.00 C ATOM 887 CD1 PHE A 61 6.265 -3.590 -1.113 1.00 0.00 C ATOM 888 CD2 PHE A 61 5.075 -3.479 1.009 1.00 0.00 C ATOM 889 CE1 PHE A 61 6.650 -4.911 -0.829 1.00 0.00 C ATOM 890 CE2 PHE A 61 5.467 -4.798 1.298 1.00 0.00 C ATOM 891 CZ PHE A 61 6.252 -5.517 0.377 1.00 0.00 C ATOM 0 H PHE A 61 4.319 -1.322 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 61 2.972 -1.488 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.963 -0.969 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.070 -0.905 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.572 -3.126 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.463 -2.932 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.252 -5.462 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.166 -5.260 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.548 -6.532 0.596 1.00 0.00 H new ATOM 901 N VAL A 62 3.165 1.071 -0.432 1.00 0.00 N ATOM 902 CA VAL A 62 3.060 2.539 -0.375 1.00 0.00 C ATOM 903 C VAL A 62 3.459 3.038 1.013 1.00 0.00 C ATOM 904 O VAL A 62 2.943 2.552 2.018 1.00 0.00 O ATOM 905 CB VAL A 62 1.641 3.022 -0.740 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.629 4.545 -0.880 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.132 2.407 -2.050 1.00 0.00 C ATOM 0 H VAL A 62 2.748 0.611 0.377 1.00 0.00 H new ATOM 0 HA VAL A 62 3.745 2.955 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 62 0.981 2.701 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.624 4.879 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.931 4.999 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.323 4.844 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.130 2.779 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.801 2.683 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.103 1.321 -1.955 1.00 0.00 H new ATOM 917 N GLU A 63 4.376 3.999 1.085 1.00 0.00 N ATOM 918 CA GLU A 63 4.913 4.558 2.329 1.00 0.00 C ATOM 919 C GLU A 63 4.258 5.904 2.645 1.00 0.00 C ATOM 920 O GLU A 63 4.348 6.847 1.856 1.00 0.00 O ATOM 921 CB GLU A 63 6.432 4.703 2.188 1.00 0.00 C ATOM 922 CG GLU A 63 7.133 5.144 3.480 1.00 0.00 C ATOM 923 CD GLU A 63 8.646 5.347 3.267 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.287 4.548 2.538 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.197 6.331 3.813 1.00 0.00 O ATOM 0 H GLU A 63 4.781 4.427 0.252 1.00 0.00 H new ATOM 0 HA GLU A 63 4.691 3.887 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.851 3.750 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.647 5.428 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.688 6.073 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.972 4.395 4.255 1.00 0.00 H new ATOM 932 N PHE A 64 3.636 6.013 3.815 1.00 0.00 N ATOM 933 CA PHE A 64 3.034 7.238 4.334 1.00 0.00 C ATOM 934 C PHE A 64 3.949 7.960 5.325 1.00 0.00 C ATOM 935 O PHE A 64 4.876 7.378 5.894 1.00 0.00 O ATOM 936 CB PHE A 64 1.682 6.912 4.973 1.00 0.00 C ATOM 937 CG PHE A 64 0.632 6.560 3.947 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.117 7.592 3.356 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.444 5.225 3.542 1.00 0.00 C ATOM 940 CE1 PHE A 64 -1.072 7.287 2.374 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.513 4.922 2.559 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.274 5.955 1.982 1.00 0.00 C ATOM 0 H PHE A 64 3.533 5.222 4.451 1.00 0.00 H new ATOM 0 HA PHE A 64 2.884 7.921 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.802 6.080 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.343 7.768 5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.042 8.617 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.034 4.436 3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.651 8.077 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.664 3.899 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.017 5.722 1.234 1.00 0.00 H new ATOM 952 N LEU A 65 3.657 9.242 5.560 1.00 0.00 N ATOM 953 CA LEU A 65 4.379 10.062 6.536 1.00 0.00 C ATOM 954 C LEU A 65 4.240 9.528 7.975 1.00 0.00 C ATOM 955 O LEU A 65 5.195 9.609 8.752 1.00 0.00 O ATOM 956 CB LEU A 65 3.866 11.507 6.418 1.00 0.00 C ATOM 957 CG LEU A 65 4.783 12.544 7.086 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.040 12.803 6.253 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.039 13.873 7.234 1.00 0.00 C ATOM 0 H LEU A 65 2.911 9.742 5.077 1.00 0.00 H new ATOM 0 HA LEU A 65 5.445 10.023 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.755 11.759 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.875 11.569 6.867 1.00 0.00 H new ATOM 0 HG LEU A 65 5.071 12.144 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.664 13.541 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.598 11.874 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.754 13.179 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.693 14.605 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.742 14.235 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.152 13.727 7.850 1.00 0.00 H new ATOM 971 N SER A 66 3.078 8.953 8.311 1.00 0.00 N ATOM 972 CA SER A 66 2.755 8.450 9.656 1.00 0.00 C ATOM 973 C SER A 66 1.901 7.177 9.608 1.00 0.00 C ATOM 974 O SER A 66 1.163 6.931 8.652 1.00 0.00 O ATOM 975 CB SER A 66 2.019 9.518 10.479 1.00 0.00 C ATOM 976 OG SER A 66 2.694 10.770 10.476 1.00 0.00 O ATOM 0 H SER A 66 2.319 8.821 7.642 1.00 0.00 H new ATOM 0 HA SER A 66 3.705 8.209 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.013 9.650 10.080 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.911 9.170 11.506 1.00 0.00 H new ATOM 0 HG SER A 66 2.187 11.416 11.011 1.00 0.00 H new ATOM 982 N GLU A 67 1.961 6.369 10.669 1.00 0.00 N ATOM 983 CA GLU A 67 1.230 5.094 10.775 1.00 0.00 C ATOM 984 C GLU A 67 -0.300 5.271 10.756 1.00 0.00 C ATOM 985 O GLU A 67 -1.012 4.427 10.215 1.00 0.00 O ATOM 986 CB GLU A 67 1.706 4.373 12.047 1.00 0.00 C ATOM 987 CG GLU A 67 1.052 2.996 12.244 1.00 0.00 C ATOM 988 CD GLU A 67 1.689 2.178 13.386 1.00 0.00 C ATOM 989 OE1 GLU A 67 1.885 0.952 13.198 1.00 0.00 O ATOM 990 OE2 GLU A 67 1.954 2.732 14.479 1.00 0.00 O ATOM 0 H GLU A 67 2.525 6.580 11.492 1.00 0.00 H new ATOM 0 HA GLU A 67 1.452 4.489 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.788 4.251 12.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.490 4.998 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.009 3.132 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.126 2.430 11.315 1.00 0.00 H new ATOM 997 N GLU A 68 -0.822 6.389 11.268 1.00 0.00 N ATOM 998 CA GLU A 68 -2.261 6.701 11.224 1.00 0.00 C ATOM 999 C GLU A 68 -2.779 7.019 9.807 1.00 0.00 C ATOM 1000 O GLU A 68 -3.959 6.815 9.518 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.588 7.827 12.220 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.940 9.178 11.882 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.269 10.227 12.961 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -3.332 10.888 12.873 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -1.465 10.401 13.911 1.00 0.00 O ATOM 0 H GLU A 68 -0.261 7.107 11.726 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.793 5.798 11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.669 7.956 12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.265 7.521 13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.860 9.058 11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.295 9.524 10.911 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.902 7.459 8.898 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.222 7.646 7.477 1.00 0.00 C ATOM 1014 C ASP A 69 -2.151 6.315 6.705 1.00 0.00 C ATOM 1015 O ASP A 69 -2.960 6.076 5.807 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.283 8.702 6.879 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.546 10.100 7.462 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.650 10.650 7.243 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.635 10.660 8.115 1.00 0.00 O ATOM 0 H ASP A 69 -0.938 7.698 9.130 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.249 8.001 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.248 8.418 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.411 8.730 5.797 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.255 5.406 7.113 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.192 4.045 6.586 1.00 0.00 C ATOM 1026 C ALA A 70 -2.434 3.230 7.004 1.00 0.00 C ATOM 1027 O ALA A 70 -3.069 2.589 6.168 1.00 0.00 O ATOM 1028 CB ALA A 70 0.127 3.409 7.061 1.00 0.00 C ATOM 0 H ALA A 70 -0.550 5.601 7.824 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.202 4.056 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.198 2.390 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.968 3.995 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.151 3.391 8.151 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.853 3.328 8.271 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.088 2.720 8.789 1.00 0.00 C ATOM 1036 C ASP A 71 -5.349 3.181 8.030 1.00 0.00 C ATOM 1037 O ASP A 71 -6.261 2.387 7.793 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.199 3.045 10.285 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.417 2.365 10.932 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -6.399 3.069 11.268 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -5.382 1.127 11.129 1.00 0.00 O ATOM 0 H ASP A 71 -2.333 3.843 8.981 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.029 1.642 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.291 2.723 10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.273 4.124 10.417 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.378 4.437 7.572 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.477 4.967 6.762 1.00 0.00 C ATOM 1048 C TYR A 72 -6.466 4.397 5.335 1.00 0.00 C ATOM 1049 O TYR A 72 -7.523 4.075 4.795 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.430 6.502 6.764 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.722 7.153 6.302 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.027 7.227 4.929 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.626 7.680 7.246 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.217 7.841 4.493 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -9.823 8.287 6.817 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.121 8.372 5.440 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.278 8.966 5.035 1.00 0.00 O ATOM 0 H TYR A 72 -4.638 5.115 7.754 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.419 4.648 7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.199 6.848 7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.616 6.833 6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.343 6.810 4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.401 7.618 8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.438 7.906 3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.514 8.688 7.544 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.780 9.273 5.819 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.296 4.189 4.724 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.200 3.577 3.397 1.00 0.00 C ATOM 1069 C ALA A 73 -5.653 2.109 3.419 1.00 0.00 C ATOM 1070 O ALA A 73 -6.351 1.666 2.509 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.767 3.736 2.893 1.00 0.00 C ATOM 0 H ALA A 73 -4.395 4.438 5.132 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.875 4.083 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.677 3.285 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.518 4.795 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.082 3.241 3.581 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.357 1.385 4.503 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.862 0.023 4.747 1.00 0.00 C ATOM 1079 C ILE A 74 -7.397 0.018 4.875 1.00 0.00 C ATOM 1080 O ILE A 74 -8.051 -0.915 4.407 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.168 -0.575 5.995 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.640 -0.655 5.776 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.727 -1.972 6.321 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.833 -0.821 7.062 1.00 0.00 C ATOM 0 H ILE A 74 -4.752 1.730 5.248 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.619 -0.609 3.893 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.371 0.083 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.422 -1.492 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.309 0.250 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.222 -2.369 7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.797 -1.899 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.558 -2.638 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.771 -0.869 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.018 0.028 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.133 -1.741 7.564 1.00 0.00 H new ATOM 1096 N LYS A 75 -7.989 1.080 5.441 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.445 1.243 5.563 1.00 0.00 C ATOM 1098 C LYS A 75 -10.130 1.457 4.206 1.00 0.00 C ATOM 1099 O LYS A 75 -11.169 0.842 3.965 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.749 2.366 6.574 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.251 2.588 6.793 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.499 3.627 7.895 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.005 3.847 8.082 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.283 4.851 9.143 1.00 0.00 N ATOM 0 H LYS A 75 -7.462 1.861 5.832 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.870 0.315 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.281 2.124 7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.298 3.294 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.712 2.922 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.726 1.645 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.054 3.289 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.016 4.568 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.444 4.179 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.482 2.902 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.311 4.975 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.885 4.522 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.848 5.759 8.884 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.568 2.287 3.314 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.216 2.631 2.037 1.00 0.00 C ATOM 1120 C ILE A 76 -9.839 1.724 0.854 1.00 0.00 C ATOM 1121 O ILE A 76 -10.714 1.406 0.053 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.032 4.122 1.682 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.562 4.570 1.554 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.757 4.997 2.717 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.420 5.856 0.742 1.00 0.00 C ATOM 0 H ILE A 76 -8.662 2.735 3.454 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.276 2.443 2.211 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.469 4.250 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.142 4.722 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.982 3.778 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.624 6.048 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.820 4.755 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.342 4.809 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.367 6.132 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.814 5.698 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.977 6.657 1.229 1.00 0.00 H new ATOM 1137 N MET A 77 -8.579 1.286 0.727 1.00 0.00 N ATOM 1138 CA MET A 77 -8.066 0.596 -0.476 1.00 0.00 C ATOM 1139 C MET A 77 -8.196 -0.930 -0.445 1.00 0.00 C ATOM 1140 O MET A 77 -7.822 -1.611 -1.397 1.00 0.00 O ATOM 1141 CB MET A 77 -6.637 1.051 -0.796 1.00 0.00 C ATOM 1142 CG MET A 77 -6.579 2.488 -1.316 1.00 0.00 C ATOM 1143 SD MET A 77 -7.039 2.654 -3.060 1.00 0.00 S ATOM 1144 CE MET A 77 -6.554 4.378 -3.307 1.00 0.00 C ATOM 0 H MET A 77 -7.878 1.399 1.459 1.00 0.00 H new ATOM 0 HA MET A 77 -8.720 0.900 -1.293 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.024 0.968 0.102 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.205 0.382 -1.540 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.242 3.109 -0.714 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.569 2.874 -1.178 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.237 4.850 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.594 4.907 -2.355 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.539 4.417 -3.702 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.757 -1.481 0.625 1.00 0.00 N ATOM 1155 CA ASP A 78 -8.957 -2.925 0.767 1.00 0.00 C ATOM 1156 C ASP A 78 -10.261 -3.399 0.104 1.00 0.00 C ATOM 1157 O ASP A 78 -11.310 -2.763 0.236 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.859 -3.338 2.239 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.874 -4.864 2.376 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -9.774 -5.415 3.048 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -7.975 -5.512 1.790 1.00 0.00 O ATOM 0 H ASP A 78 -9.088 -0.940 1.424 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.154 -3.431 0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.943 -2.938 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.691 -2.910 2.798 1.00 0.00 H new ATOM 1166 N MET A 79 -10.187 -4.517 -0.627 1.00 0.00 N ATOM 1167 CA MET A 79 -11.249 -5.063 -1.490 1.00 0.00 C ATOM 1168 C MET A 79 -11.706 -4.123 -2.634 1.00 0.00 C ATOM 1169 O MET A 79 -12.701 -4.389 -3.311 1.00 0.00 O ATOM 1170 CB MET A 79 -12.385 -5.644 -0.626 1.00 0.00 C ATOM 1171 CG MET A 79 -13.135 -6.795 -1.315 1.00 0.00 C ATOM 1172 SD MET A 79 -14.362 -7.641 -0.276 1.00 0.00 S ATOM 1173 CE MET A 79 -13.271 -8.517 0.882 1.00 0.00 C ATOM 0 H MET A 79 -9.347 -5.095 -0.636 1.00 0.00 H new ATOM 0 HA MET A 79 -10.819 -5.891 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 79 -11.971 -6.001 0.317 1.00 0.00 H new ATOM 0 HB3 MET A 79 -13.092 -4.851 -0.384 1.00 0.00 H new ATOM 0 HG2 MET A 79 -13.638 -6.403 -2.199 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.406 -7.528 -1.661 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.854 -9.234 1.460 1.00 0.00 H new ATOM 0 HE2 MET A 79 -12.497 -9.044 0.324 1.00 0.00 H new ATOM 0 HE3 MET A 79 -12.806 -7.799 1.558 1.00 0.00 H new ATOM 1183 N ILE A 80 -10.962 -3.040 -2.892 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.110 -2.181 -4.076 1.00 0.00 C ATOM 1185 C ILE A 80 -10.641 -2.936 -5.328 1.00 0.00 C ATOM 1186 O ILE A 80 -9.768 -3.798 -5.250 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.382 -0.829 -3.837 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.364 0.152 -3.155 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.726 -0.221 -5.085 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -10.874 1.603 -3.048 1.00 0.00 C ATOM 0 H ILE A 80 -10.220 -2.728 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.158 -1.934 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.536 -1.030 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.303 0.143 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.581 -0.216 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.243 0.720 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.981 -0.913 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.487 -0.038 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.635 2.209 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.953 1.634 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.686 1.998 -4.046 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.212 -2.620 -6.494 1.00 0.00 N ATOM 1203 CA LYS A 81 -10.961 -3.317 -7.767 1.00 0.00 C ATOM 1204 C LYS A 81 -10.146 -2.465 -8.748 1.00 0.00 C ATOM 1205 O LYS A 81 -10.662 -2.013 -9.771 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.299 -3.803 -8.343 1.00 0.00 C ATOM 1207 CG LYS A 81 -12.990 -4.833 -7.429 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.222 -5.479 -8.078 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.829 -6.551 -9.103 1.00 0.00 C ATOM 1210 NZ LYS A 81 -15.013 -7.073 -9.836 1.00 0.00 N ATOM 0 H LYS A 81 -11.879 -1.854 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.335 -4.190 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.960 -2.949 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.130 -4.247 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.275 -5.612 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.289 -4.345 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.847 -5.926 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.820 -4.710 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.117 -6.131 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.325 -7.373 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.708 -7.795 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.681 -7.496 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.480 -6.293 -10.342 1.00 0.00 H new ATOM 1224 N LEU A 82 -8.861 -2.261 -8.447 1.00 0.00 N ATOM 1225 CA LEU A 82 -7.914 -1.561 -9.331 1.00 0.00 C ATOM 1226 C LEU A 82 -7.835 -2.290 -10.688 1.00 0.00 C ATOM 1227 O LEU A 82 -7.602 -3.500 -10.718 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.549 -1.461 -8.616 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.495 -0.587 -9.319 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.003 0.826 -9.611 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.262 -0.473 -8.418 1.00 0.00 C ATOM 0 H LEU A 82 -8.440 -2.579 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.250 -0.546 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.712 -1.067 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.144 -2.466 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.259 -1.066 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.220 1.399 -10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.878 0.771 -10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.274 1.316 -8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.509 0.145 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.545 -0.016 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.853 -1.466 -8.234 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.092 -1.586 -11.801 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.292 -2.206 -13.129 1.00 0.00 C ATOM 1245 C TYR A 83 -9.225 -3.456 -13.169 1.00 0.00 C ATOM 1246 O TYR A 83 -9.037 -4.346 -14.003 1.00 0.00 O ATOM 1247 CB TYR A 83 -6.934 -2.447 -13.812 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.088 -1.204 -14.015 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -6.509 -0.205 -14.917 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -4.866 -1.061 -13.333 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -5.707 0.932 -15.139 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -4.060 0.070 -13.557 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.477 1.071 -14.459 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.692 2.163 -14.670 1.00 0.00 O ATOM 0 H TYR A 83 -8.168 -0.569 -11.810 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.859 -1.478 -13.708 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.366 -3.161 -13.216 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.110 -2.911 -14.783 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.448 -0.312 -15.439 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.546 -1.821 -12.636 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.033 1.697 -15.829 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.119 0.172 -13.037 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.255 2.932 -14.897 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.239 -3.552 -12.293 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.259 -4.617 -12.316 1.00 0.00 C ATOM 1266 C GLY A 84 -10.876 -5.957 -11.657 1.00 0.00 C ATOM 1267 O GLY A 84 -11.542 -6.965 -11.901 1.00 0.00 O ATOM 0 H GLY A 84 -10.376 -2.882 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.156 -4.240 -11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.524 -4.812 -13.355 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.836 -5.983 -10.812 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.291 -7.131 -10.078 1.00 0.00 C ATOM 1273 C LYS A 85 -9.103 -6.713 -8.608 1.00 0.00 C ATOM 1274 O LYS A 85 -8.465 -5.688 -8.356 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.951 -7.566 -10.698 1.00 0.00 C ATOM 1276 CG LYS A 85 -8.148 -8.247 -12.059 1.00 0.00 C ATOM 1277 CD LYS A 85 -6.804 -8.496 -12.753 1.00 0.00 C ATOM 1278 CE LYS A 85 -7.031 -9.084 -14.151 1.00 0.00 C ATOM 1279 NZ LYS A 85 -5.758 -9.178 -14.909 1.00 0.00 N ATOM 0 H LYS A 85 -9.312 -5.132 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.974 -7.979 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.306 -6.696 -10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.441 -8.250 -10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.671 -9.194 -11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.778 -7.623 -12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.247 -7.562 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.200 -9.180 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.479 -10.074 -14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.738 -8.462 -14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.964 -9.248 -15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.184 -8.330 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.233 -10.022 -14.603 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.695 -7.430 -7.639 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.755 -7.000 -6.246 1.00 0.00 C ATOM 1295 C PRO A 86 -8.387 -7.083 -5.549 1.00 0.00 C ATOM 1296 O PRO A 86 -7.775 -8.151 -5.481 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.836 -7.865 -5.590 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.908 -9.110 -6.473 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.551 -8.576 -7.859 1.00 0.00 C ATOM 0 HA PRO A 86 -10.015 -5.945 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.573 -8.120 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.794 -7.346 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.207 -9.878 -6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.902 -9.558 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.040 -9.336 -8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.448 -8.293 -8.410 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.926 -5.951 -5.009 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.687 -5.830 -4.226 1.00 0.00 C ATOM 1309 C ILE A 87 -6.939 -6.029 -2.725 1.00 0.00 C ATOM 1310 O ILE A 87 -7.996 -5.670 -2.199 1.00 0.00 O ATOM 1311 CB ILE A 87 -5.926 -4.510 -4.511 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.779 -3.236 -4.326 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.342 -4.554 -5.932 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -5.949 -1.962 -4.121 1.00 0.00 C ATOM 0 H ILE A 87 -8.419 -5.063 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.035 -6.639 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.132 -4.444 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.417 -3.107 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.438 -3.372 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.806 -3.626 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.655 -5.396 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.150 -4.671 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.616 -1.109 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.331 -2.070 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.310 -1.801 -4.989 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.946 -6.588 -2.025 1.00 0.00 N ATOM 1327 CA ARG A 88 -5.935 -6.782 -0.565 1.00 0.00 C ATOM 1328 C ARG A 88 -4.839 -5.936 0.075 1.00 0.00 C ATOM 1329 O ARG A 88 -3.705 -5.938 -0.406 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.777 -8.277 -0.230 1.00 0.00 C ATOM 1331 CG ARG A 88 -7.075 -9.077 -0.443 1.00 0.00 C ATOM 1332 CD ARG A 88 -8.117 -8.867 0.670 1.00 0.00 C ATOM 1333 NE ARG A 88 -7.718 -9.541 1.925 1.00 0.00 N ATOM 1334 CZ ARG A 88 -7.289 -8.998 3.053 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -7.194 -7.715 3.242 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -6.929 -9.765 4.042 1.00 0.00 N ATOM 0 H ARG A 88 -5.096 -6.931 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.887 -6.449 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.988 -8.702 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.458 -8.380 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.514 -8.793 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.832 -10.138 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.244 -7.800 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.083 -9.251 0.342 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.782 -10.559 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.458 -7.069 2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.856 -7.355 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.978 -10.779 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.598 -9.352 4.914 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.179 -5.215 1.144 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.312 -4.202 1.772 1.00 0.00 C ATOM 1352 C VAL A 89 -4.178 -4.447 3.280 1.00 0.00 C ATOM 1353 O VAL A 89 -5.152 -4.767 3.961 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.802 -2.772 1.451 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.817 -1.691 1.911 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -4.979 -2.567 -0.059 1.00 0.00 C ATOM 0 H VAL A 89 -6.080 -5.316 1.611 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.314 -4.298 1.345 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.747 -2.675 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.213 -0.707 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.677 -1.761 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.859 -1.835 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.324 -1.551 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.025 -2.727 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.713 -3.277 -0.439 1.00 0.00 H new ATOM 1366 N ASN A 90 -2.955 -4.313 3.797 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.587 -4.427 5.218 1.00 0.00 C ATOM 1368 C ASN A 90 -1.269 -3.678 5.497 1.00 0.00 C ATOM 1369 O ASN A 90 -0.634 -3.158 4.581 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.498 -5.914 5.637 1.00 0.00 C ATOM 1371 CG ASN A 90 -1.666 -6.779 4.702 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -0.448 -6.806 4.761 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -2.292 -7.518 3.812 1.00 0.00 N ATOM 0 H ASN A 90 -2.148 -4.111 3.207 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.366 -3.960 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.075 -5.972 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.506 -6.325 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.759 -8.110 3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.310 -7.499 3.759 1.00 0.00 H new ATOM 1380 N LYS A 91 -0.851 -3.608 6.764 1.00 0.00 N ATOM 1381 CA LYS A 91 0.441 -3.031 7.171 1.00 0.00 C ATOM 1382 C LYS A 91 1.601 -3.869 6.607 1.00 0.00 C ATOM 1383 O LYS A 91 1.567 -5.096 6.698 1.00 0.00 O ATOM 1384 CB LYS A 91 0.560 -3.020 8.708 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.599 -2.410 9.515 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.588 -0.877 9.576 1.00 0.00 C ATOM 1387 CE LYS A 91 0.071 -0.338 10.854 1.00 0.00 C ATOM 1388 NZ LYS A 91 1.540 -0.544 10.917 1.00 0.00 N ATOM 0 H LYS A 91 -1.404 -3.954 7.548 1.00 0.00 H new ATOM 0 HA LYS A 91 0.492 -2.013 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.694 -4.049 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.470 -2.480 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.542 -2.738 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.565 -2.803 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.058 -0.487 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.612 -0.508 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.138 0.729 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.389 -0.819 11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.898 -0.215 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.754 -1.556 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.999 -0.006 10.154 1.00 0.00 H new ATOM 1402 N ALA A 92 2.664 -3.229 6.118 1.00 0.00 N ATOM 1403 CA ALA A 92 3.911 -3.928 5.780 1.00 0.00 C ATOM 1404 C ALA A 92 4.597 -4.468 7.061 1.00 0.00 C ATOM 1405 O ALA A 92 5.196 -5.545 7.040 1.00 0.00 O ATOM 1406 CB ALA A 92 4.799 -2.980 4.971 1.00 0.00 C ATOM 0 H ALA A 92 2.689 -2.224 5.946 1.00 0.00 H new ATOM 0 HA ALA A 92 3.707 -4.803 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.730 -3.485 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.280 -2.685 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.020 -2.093 5.565 1.00 0.00 H new ATOM 1412 N SER A 93 4.438 -3.752 8.184 1.00 0.00 N ATOM 1413 CA SER A 93 4.757 -4.199 9.551 1.00 0.00 C ATOM 1414 C SER A 93 3.470 -4.206 10.387 1.00 0.00 C ATOM 1415 O SER A 93 3.033 -3.163 10.888 1.00 0.00 O ATOM 1416 CB SER A 93 5.822 -3.314 10.208 1.00 0.00 C ATOM 1417 OG SER A 93 7.097 -3.544 9.635 1.00 0.00 O ATOM 0 H SER A 93 4.067 -2.802 8.165 1.00 0.00 H new ATOM 0 HA SER A 93 5.171 -5.206 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.551 -2.265 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.858 -3.516 11.278 1.00 0.00 H new ATOM 0 HG SER A 93 7.760 -2.967 10.069 1.00 0.00 H new ATOM 1423 N ALA A 94 2.828 -5.372 10.492 1.00 0.00 N ATOM 1424 CA ALA A 94 1.604 -5.584 11.270 1.00 0.00 C ATOM 1425 C ALA A 94 1.907 -6.021 12.720 1.00 0.00 C ATOM 1426 O ALA A 94 2.925 -6.663 12.993 1.00 0.00 O ATOM 1427 CB ALA A 94 0.705 -6.590 10.532 1.00 0.00 C ATOM 0 H ALA A 94 3.154 -6.218 10.025 1.00 0.00 H new ATOM 0 HA ALA A 94 1.070 -4.637 11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.207 -6.752 11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.450 -6.196 9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.235 -7.536 10.418 1.00 0.00 H new ATOM 1433 N HIS A 95 1.011 -5.674 13.649 1.00 0.00 N ATOM 1434 CA HIS A 95 1.129 -5.958 15.090 1.00 0.00 C ATOM 1435 C HIS A 95 -0.240 -6.185 15.760 1.00 0.00 C ATOM 1436 O HIS A 95 -1.285 -6.113 15.102 1.00 0.00 O ATOM 1437 CB HIS A 95 1.956 -4.845 15.765 1.00 0.00 C ATOM 1438 CG HIS A 95 1.482 -3.433 15.516 1.00 0.00 C ATOM 1439 ND1 HIS A 95 0.718 -2.658 16.393 1.00 0.00 N ATOM 1440 CD2 HIS A 95 1.843 -2.666 14.447 1.00 0.00 C ATOM 1441 CE1 HIS A 95 0.645 -1.437 15.835 1.00 0.00 C ATOM 1442 NE2 HIS A 95 1.317 -1.411 14.671 1.00 0.00 N ATOM 0 H HIS A 95 0.155 -5.171 13.415 1.00 0.00 H new ATOM 0 HA HIS A 95 1.660 -6.901 15.220 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.960 -5.023 16.840 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.988 -4.927 15.424 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.426 -2.980 13.594 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.120 -0.595 16.262 1.00 0.00 H new ATOM 0 HE2 HIS A 95 1.420 -0.602 14.059 1.00 0.00 H new ATOM 1450 N ASN A 96 -0.235 -6.525 17.053 1.00 0.00 N ATOM 1451 CA ASN A 96 -1.413 -6.929 17.834 1.00 0.00 C ATOM 1452 C ASN A 96 -2.504 -5.833 17.882 1.00 0.00 C ATOM 1453 O ASN A 96 -2.217 -4.660 18.134 1.00 0.00 O ATOM 1454 CB ASN A 96 -0.924 -7.334 19.241 1.00 0.00 C ATOM 1455 CG ASN A 96 -1.989 -7.941 20.146 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -3.151 -8.097 19.800 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -1.618 -8.312 21.351 1.00 0.00 N ATOM 0 H ASN A 96 0.621 -6.527 17.607 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.899 -7.777 17.350 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.110 -8.050 19.133 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.511 -6.453 19.732 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.298 -8.726 21.989 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.650 -8.186 21.648 1.00 0.00 H new ATOM 1464 N LYS A 97 -3.767 -6.232 17.667 1.00 0.00 N ATOM 1465 CA LYS A 97 -4.947 -5.345 17.639 1.00 0.00 C ATOM 1466 C LYS A 97 -5.573 -5.099 19.022 1.00 0.00 C ATOM 1467 O LYS A 97 -6.350 -4.155 19.176 1.00 0.00 O ATOM 1468 CB LYS A 97 -6.004 -5.910 16.667 1.00 0.00 C ATOM 1469 CG LYS A 97 -5.487 -6.291 15.267 1.00 0.00 C ATOM 1470 CD LYS A 97 -4.767 -5.142 14.541 1.00 0.00 C ATOM 1471 CE LYS A 97 -4.321 -5.535 13.125 1.00 0.00 C ATOM 1472 NZ LYS A 97 -3.304 -6.620 13.138 1.00 0.00 N ATOM 0 H LYS A 97 -4.006 -7.210 17.503 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.595 -4.374 17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.453 -6.793 17.121 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.798 -5.172 16.553 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.804 -7.136 15.359 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.327 -6.625 14.657 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.430 -4.279 14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.897 -4.837 15.122 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.188 -5.859 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.911 -4.661 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.848 -6.680 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.586 -6.414 13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.766 -7.526 13.357 1.00 0.00 H new ATOM 1486 N ASN A 98 -5.262 -5.933 20.019 1.00 0.00 N ATOM 1487 CA ASN A 98 -5.830 -5.839 21.368 1.00 0.00 C ATOM 1488 C ASN A 98 -5.259 -4.646 22.171 1.00 0.00 C ATOM 1489 O ASN A 98 -4.082 -4.301 22.043 1.00 0.00 O ATOM 1490 CB ASN A 98 -5.618 -7.182 22.094 1.00 0.00 C ATOM 1491 CG ASN A 98 -6.317 -7.242 23.446 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -7.303 -6.565 23.703 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -5.824 -8.031 24.368 1.00 0.00 N ATOM 0 H ASN A 98 -4.601 -6.702 19.911 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.899 -5.642 21.284 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.986 -7.992 21.464 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -4.550 -7.348 22.235 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -6.262 -8.076 25.288 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -5.002 -8.600 24.166 1.00 0.00 H new ATOM 1500 N LEU A 99 -6.094 -4.048 23.028 1.00 0.00 N ATOM 1501 CA LEU A 99 -5.745 -2.944 23.930 1.00 0.00 C ATOM 1502 C LEU A 99 -5.305 -3.422 25.332 1.00 0.00 C ATOM 1503 O LEU A 99 -4.512 -2.741 25.987 1.00 0.00 O ATOM 1504 CB LEU A 99 -6.964 -1.999 23.990 1.00 0.00 C ATOM 1505 CG LEU A 99 -6.769 -0.703 24.802 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -5.656 0.184 24.238 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -8.068 0.105 24.790 1.00 0.00 C ATOM 0 H LEU A 99 -7.070 -4.331 23.116 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.874 -2.417 23.541 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.241 -1.729 22.971 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.805 -2.548 24.414 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.491 -1.002 25.813 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.562 1.082 24.848 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.713 -0.363 24.250 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.899 0.465 23.213 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.932 1.022 25.364 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.331 0.356 23.762 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.868 -0.486 25.235 1.00 0.00 H new ATOM 1519 N SER A 100 -5.793 -4.579 25.800 1.00 0.00 N ATOM 1520 CA SER A 100 -5.484 -5.126 27.133 1.00 0.00 C ATOM 1521 C SER A 100 -4.171 -5.930 27.184 1.00 0.00 C ATOM 1522 O SER A 100 -3.592 -6.289 26.153 1.00 0.00 O ATOM 1523 CB SER A 100 -6.671 -5.938 27.674 1.00 0.00 C ATOM 1524 OG SER A 100 -6.876 -7.135 26.938 1.00 0.00 O ATOM 0 H SER A 100 -6.422 -5.171 25.258 1.00 0.00 H new ATOM 0 HA SER A 100 -5.320 -4.270 27.788 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.496 -6.182 28.722 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.574 -5.329 27.635 1.00 0.00 H new ATOM 0 HG SER A 100 -7.638 -7.623 27.313 1.00 0.00 H new ATOM 1530 N GLY A 101 -3.692 -6.213 28.399 1.00 0.00 N ATOM 1531 CA GLY A 101 -2.473 -6.986 28.672 1.00 0.00 C ATOM 1532 C GLY A 101 -2.358 -7.428 30.143 1.00 0.00 C ATOM 1533 O GLY A 101 -3.221 -7.074 30.958 1.00 0.00 O ATOM 0 H GLY A 101 -4.158 -5.900 29.251 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.457 -7.868 28.031 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.602 -6.385 28.410 1.00 0.00 H new ATOM 1537 N PRO A 102 -1.320 -8.208 30.502 1.00 0.00 N ATOM 1538 CA PRO A 102 -1.136 -8.745 31.853 1.00 0.00 C ATOM 1539 C PRO A 102 -0.783 -7.660 32.886 1.00 0.00 C ATOM 1540 O PRO A 102 -0.077 -6.693 32.586 1.00 0.00 O ATOM 1541 CB PRO A 102 -0.029 -9.799 31.721 1.00 0.00 C ATOM 1542 CG PRO A 102 0.801 -9.291 30.541 1.00 0.00 C ATOM 1543 CD PRO A 102 -0.252 -8.669 29.624 1.00 0.00 C ATOM 0 HA PRO A 102 -2.063 -9.177 32.231 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.567 -9.872 32.630 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.438 -10.790 31.528 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.545 -8.559 30.856 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.339 -10.100 30.047 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.168 -7.842 29.051 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.624 -9.399 28.905 1.00 0.00 H new ATOM 1551 N SER A 103 -1.243 -7.850 34.128 1.00 0.00 N ATOM 1552 CA SER A 103 -1.062 -6.905 35.250 1.00 0.00 C ATOM 1553 C SER A 103 0.179 -7.181 36.119 1.00 0.00 C ATOM 1554 O SER A 103 0.463 -6.420 37.048 1.00 0.00 O ATOM 1555 CB SER A 103 -2.320 -6.896 36.134 1.00 0.00 C ATOM 1556 OG SER A 103 -3.495 -6.646 35.374 1.00 0.00 O ATOM 0 H SER A 103 -1.766 -8.685 34.393 1.00 0.00 H new ATOM 0 HA SER A 103 -0.900 -5.929 34.793 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.413 -7.855 36.644 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.217 -6.133 36.906 1.00 0.00 H new ATOM 0 HG SER A 103 -4.275 -6.649 35.967 1.00 0.00 H new ATOM 1562 N SER A 104 0.916 -8.265 35.851 1.00 0.00 N ATOM 1563 CA SER A 104 2.101 -8.679 36.622 1.00 0.00 C ATOM 1564 C SER A 104 3.325 -7.778 36.371 1.00 0.00 C ATOM 1565 O SER A 104 3.464 -7.176 35.298 1.00 0.00 O ATOM 1566 CB SER A 104 2.430 -10.147 36.322 1.00 0.00 C ATOM 1567 OG SER A 104 3.365 -10.647 37.264 1.00 0.00 O ATOM 0 H SER A 104 0.704 -8.894 35.077 1.00 0.00 H new ATOM 0 HA SER A 104 1.856 -8.570 37.678 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.519 -10.744 36.353 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.836 -10.237 35.314 1.00 0.00 H new ATOM 0 HG SER A 104 3.564 -11.585 37.061 1.00 0.00 H new ATOM 1573 N GLY A 105 4.223 -7.688 37.360 1.00 0.00 N ATOM 1574 CA GLY A 105 5.445 -6.866 37.339 1.00 0.00 C ATOM 1575 C GLY A 105 6.314 -7.065 38.581 1.00 0.00 C ATOM 1576 O GLY A 105 7.426 -7.621 38.444 1.00 0.00 O ATOM 1577 OXT GLY A 105 5.873 -6.669 39.683 1.00 0.00 O ATOM 0 H GLY A 105 4.116 -8.205 38.233 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.027 -7.111 36.451 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.169 -5.815 37.259 1.00 0.00 H new TER 1581 GLY A 105