USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 881 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 52 SER OG : rot 30:sc= -2.7 USER MOD Set 1.2: A 64 MET CE :methyl 136:sc= -8.11! (180deg=-12.9!) USER MOD Set 2.1: A 45 ASN :FLIP amide:sc= 0.221 F(o=-1.7,f=0.74) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 141:sc= 0.516 (180deg=0) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00256) USER MOD Set 3.2: A 84 SER OG : rot -37:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= -2.36 USER MOD Single : A 13 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.096) USER MOD Single : A 14 MET CE :methyl 155:sc= -0.567 (180deg=-2.41!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 150:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -4.75! C(o=-4.7!,f=-18!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -122:sc= -0.295 (180deg=-1.05) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -148:sc= -2.58! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 0.00298 (180deg=0) USER MOD Single : A 60 MET CE :methyl 151:sc= -6.66! (180deg=-8.9!) USER MOD Single : A 61 ASN : amide:sc= -2.71! C(o=-2.7!,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0118) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.915 F(o=-2.7!,f=-0.92) USER MOD Single : A 76 SER OG : rot -128:sc= 0.922 USER MOD Single : A 81 GLN : amide:sc= -2.05 K(o=-2.1,f=-3.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -60:sc= 0.302 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00561 USER MOD Single : A 91 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-3.6) USER MOD Single : A 100 SER OG : rot 151:sc= 0.991 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 108 SER OG : rot 41:sc= 0.826 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.190 10.306 -13.085 1.00 0.00 N ATOM 2 CA GLY A 1 -8.639 10.404 -13.061 1.00 0.00 C ATOM 3 C GLY A 1 -9.145 11.327 -14.171 1.00 0.00 C ATOM 4 O GLY A 1 -9.350 12.519 -13.948 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.872 9.674 -12.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.883 9.923 -14.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.776 11.250 -12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.076 9.413 -13.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.965 10.782 -12.092 1.00 0.00 H new ATOM 8 N SER A 2 -9.332 10.740 -15.345 1.00 0.00 N ATOM 9 CA SER A 2 -9.810 11.495 -16.491 1.00 0.00 C ATOM 10 C SER A 2 -8.784 12.562 -16.880 1.00 0.00 C ATOM 11 O SER A 2 -8.184 13.196 -16.013 1.00 0.00 O ATOM 12 CB SER A 2 -11.164 12.143 -16.197 1.00 0.00 C ATOM 13 OG SER A 2 -12.238 11.443 -16.820 1.00 0.00 O ATOM 0 H SER A 2 -9.161 9.751 -15.527 1.00 0.00 H new ATOM 0 HA SER A 2 -9.941 10.805 -17.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.326 12.171 -15.119 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.155 13.176 -16.545 1.00 0.00 H new ATOM 0 HG SER A 2 -13.085 11.887 -16.607 1.00 0.00 H new ATOM 19 N SER A 3 -8.615 12.727 -18.183 1.00 0.00 N ATOM 20 CA SER A 3 -7.672 13.706 -18.697 1.00 0.00 C ATOM 21 C SER A 3 -6.243 13.292 -18.343 1.00 0.00 C ATOM 22 O SER A 3 -6.035 12.445 -17.476 1.00 0.00 O ATOM 23 CB SER A 3 -7.973 15.102 -18.147 1.00 0.00 C ATOM 24 OG SER A 3 -8.001 16.087 -19.176 1.00 0.00 O ATOM 0 H SER A 3 -9.115 12.199 -18.899 1.00 0.00 H new ATOM 0 HA SER A 3 -7.774 13.743 -19.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.933 15.089 -17.631 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.218 15.371 -17.408 1.00 0.00 H new ATOM 0 HG SER A 3 -8.198 16.964 -18.784 1.00 0.00 H new ATOM 30 N GLY A 4 -5.294 13.909 -19.033 1.00 0.00 N ATOM 31 CA GLY A 4 -3.890 13.615 -18.802 1.00 0.00 C ATOM 32 C GLY A 4 -3.355 14.401 -17.602 1.00 0.00 C ATOM 33 O GLY A 4 -3.997 15.341 -17.136 1.00 0.00 O ATOM 0 H GLY A 4 -5.470 14.611 -19.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.762 12.547 -18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.311 13.864 -19.692 1.00 0.00 H new ATOM 37 N SER A 5 -2.186 13.986 -17.138 1.00 0.00 N ATOM 38 CA SER A 5 -1.558 14.639 -16.002 1.00 0.00 C ATOM 39 C SER A 5 -0.168 14.046 -15.760 1.00 0.00 C ATOM 40 O SER A 5 0.051 12.857 -15.987 1.00 0.00 O ATOM 41 CB SER A 5 -2.419 14.504 -14.744 1.00 0.00 C ATOM 42 OG SER A 5 -1.989 15.382 -13.707 1.00 0.00 O ATOM 0 H SER A 5 -1.657 13.206 -17.528 1.00 0.00 H new ATOM 0 HA SER A 5 -1.459 15.700 -16.230 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.459 14.717 -14.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.381 13.475 -14.387 1.00 0.00 H new ATOM 0 HG SER A 5 -2.564 15.267 -12.922 1.00 0.00 H new ATOM 48 N SER A 6 0.734 14.902 -15.303 1.00 0.00 N ATOM 49 CA SER A 6 2.096 14.478 -15.028 1.00 0.00 C ATOM 50 C SER A 6 2.719 15.378 -13.959 1.00 0.00 C ATOM 51 O SER A 6 2.338 16.540 -13.822 1.00 0.00 O ATOM 52 CB SER A 6 2.946 14.497 -16.299 1.00 0.00 C ATOM 53 OG SER A 6 3.492 13.215 -16.597 1.00 0.00 O ATOM 0 H SER A 6 0.548 15.887 -15.116 1.00 0.00 H new ATOM 0 HA SER A 6 2.067 13.453 -14.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.337 14.835 -17.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.756 15.217 -16.183 1.00 0.00 H new ATOM 0 HG SER A 6 4.027 13.270 -17.417 1.00 0.00 H new ATOM 59 N GLY A 7 3.665 14.807 -13.228 1.00 0.00 N ATOM 60 CA GLY A 7 4.344 15.544 -12.175 1.00 0.00 C ATOM 61 C GLY A 7 3.637 15.357 -10.832 1.00 0.00 C ATOM 62 O GLY A 7 2.409 15.335 -10.770 1.00 0.00 O ATOM 0 H GLY A 7 3.977 13.843 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.377 15.205 -12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.375 16.603 -12.429 1.00 0.00 H new ATOM 66 N ASP A 8 4.443 15.226 -9.788 1.00 0.00 N ATOM 67 CA ASP A 8 3.910 15.042 -8.449 1.00 0.00 C ATOM 68 C ASP A 8 3.022 13.796 -8.426 1.00 0.00 C ATOM 69 O ASP A 8 3.031 13.005 -9.368 1.00 0.00 O ATOM 70 CB ASP A 8 3.057 16.239 -8.026 1.00 0.00 C ATOM 71 CG ASP A 8 3.694 17.608 -8.276 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.765 17.852 -7.680 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.096 18.378 -9.058 1.00 0.00 O ATOM 0 H ASP A 8 5.461 15.244 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 8 4.750 14.938 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.107 16.195 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.832 16.148 -6.963 1.00 0.00 H new ATOM 78 N LYS A 9 2.275 13.662 -7.339 1.00 0.00 N ATOM 79 CA LYS A 9 1.382 12.526 -7.181 1.00 0.00 C ATOM 80 C LYS A 9 2.161 11.232 -7.428 1.00 0.00 C ATOM 81 O LYS A 9 2.270 10.776 -8.565 1.00 0.00 O ATOM 82 CB LYS A 9 0.152 12.683 -8.076 1.00 0.00 C ATOM 83 CG LYS A 9 -0.501 14.053 -7.876 1.00 0.00 C ATOM 84 CD LYS A 9 -2.023 13.957 -7.992 1.00 0.00 C ATOM 85 CE LYS A 9 -2.548 14.880 -9.094 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.874 14.423 -9.565 1.00 0.00 N ATOM 0 H LYS A 9 2.270 14.321 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 9 1.001 12.480 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.440 12.562 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.568 11.897 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.232 14.449 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.120 14.754 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.311 12.928 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.481 14.224 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.621 15.900 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.846 14.897 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.215 15.060 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.794 13.457 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.546 14.430 -8.771 1.00 0.00 H new ATOM 100 N PRO A 10 2.697 10.663 -6.315 1.00 0.00 N ATOM 101 CA PRO A 10 3.462 9.431 -6.399 1.00 0.00 C ATOM 102 C PRO A 10 2.542 8.227 -6.614 1.00 0.00 C ATOM 103 O PRO A 10 2.890 7.298 -7.341 1.00 0.00 O ATOM 104 CB PRO A 10 4.238 9.359 -5.094 1.00 0.00 C ATOM 105 CG PRO A 10 3.531 10.305 -4.136 1.00 0.00 C ATOM 106 CD PRO A 10 2.588 11.175 -4.952 1.00 0.00 C ATOM 0 HA PRO A 10 4.141 9.416 -7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.249 8.342 -4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.277 9.655 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.977 9.743 -3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.255 10.922 -3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.565 11.104 -4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.874 12.226 -4.900 1.00 0.00 H new ATOM 114 N LEU A 11 1.386 8.284 -5.969 1.00 0.00 N ATOM 115 CA LEU A 11 0.414 7.210 -6.081 1.00 0.00 C ATOM 116 C LEU A 11 -0.434 7.424 -7.336 1.00 0.00 C ATOM 117 O LEU A 11 -1.016 6.478 -7.865 1.00 0.00 O ATOM 118 CB LEU A 11 -0.409 7.097 -4.796 1.00 0.00 C ATOM 119 CG LEU A 11 0.344 6.603 -3.559 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.341 5.502 -3.927 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.019 7.765 -2.827 1.00 0.00 C ATOM 0 H LEU A 11 1.101 9.057 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 11 0.918 6.251 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.833 8.076 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.245 6.423 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.380 6.166 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.863 5.169 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.807 4.661 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.064 5.891 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.547 7.386 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.728 8.253 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.263 8.484 -2.511 1.00 0.00 H new ATOM 133 N SER A 12 -0.476 8.673 -7.777 1.00 0.00 N ATOM 134 CA SER A 12 -1.242 9.023 -8.961 1.00 0.00 C ATOM 135 C SER A 12 -1.267 7.844 -9.936 1.00 0.00 C ATOM 136 O SER A 12 -0.278 7.578 -10.619 1.00 0.00 O ATOM 137 CB SER A 12 -0.666 10.265 -9.644 1.00 0.00 C ATOM 138 OG SER A 12 -1.606 11.335 -9.687 1.00 0.00 O ATOM 0 H SER A 12 0.008 9.455 -7.336 1.00 0.00 H new ATOM 0 HA SER A 12 -2.262 9.252 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.228 10.589 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.359 10.011 -10.659 1.00 0.00 H new ATOM 0 HG SER A 12 -1.343 11.974 -10.382 1.00 0.00 H new ATOM 144 N ASN A 13 -2.406 7.169 -9.971 1.00 0.00 N ATOM 145 CA ASN A 13 -2.572 6.025 -10.852 1.00 0.00 C ATOM 146 C ASN A 13 -1.988 4.781 -10.179 1.00 0.00 C ATOM 147 O ASN A 13 -1.146 4.096 -10.758 1.00 0.00 O ATOM 148 CB ASN A 13 -1.834 6.237 -12.175 1.00 0.00 C ATOM 149 CG ASN A 13 -2.492 5.440 -13.303 1.00 0.00 C ATOM 150 OD1 ASN A 13 -2.694 4.240 -13.215 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.814 6.172 -14.366 1.00 0.00 N ATOM 0 H ASN A 13 -3.224 7.392 -9.403 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.637 5.902 -11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.831 7.297 -12.428 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.793 5.931 -12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.258 5.733 -15.172 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.617 7.173 -14.375 1.00 0.00 H new ATOM 158 N MET A 14 -2.459 4.527 -8.967 1.00 0.00 N ATOM 159 CA MET A 14 -1.994 3.377 -8.210 1.00 0.00 C ATOM 160 C MET A 14 -3.007 2.984 -7.133 1.00 0.00 C ATOM 161 O MET A 14 -3.435 3.824 -6.342 1.00 0.00 O ATOM 162 CB MET A 14 -0.652 3.707 -7.553 1.00 0.00 C ATOM 163 CG MET A 14 0.406 4.043 -8.607 1.00 0.00 C ATOM 164 SD MET A 14 2.007 4.206 -7.834 1.00 0.00 S ATOM 165 CE MET A 14 2.064 2.676 -6.915 1.00 0.00 C ATOM 0 H MET A 14 -3.158 5.098 -8.491 1.00 0.00 H new ATOM 0 HA MET A 14 -1.876 2.538 -8.895 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.773 4.550 -6.873 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.318 2.860 -6.954 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.437 3.261 -9.365 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.143 4.970 -9.116 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.103 2.394 -6.743 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.560 2.808 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.564 1.891 -7.483 1.00 0.00 H new ATOM 175 N LYS A 15 -3.361 1.708 -7.136 1.00 0.00 N ATOM 176 CA LYS A 15 -4.315 1.193 -6.168 1.00 0.00 C ATOM 177 C LYS A 15 -3.566 0.720 -4.921 1.00 0.00 C ATOM 178 O LYS A 15 -2.885 -0.303 -4.953 1.00 0.00 O ATOM 179 CB LYS A 15 -5.194 0.114 -6.804 1.00 0.00 C ATOM 180 CG LYS A 15 -6.440 0.728 -7.445 1.00 0.00 C ATOM 181 CD LYS A 15 -6.744 0.072 -8.793 1.00 0.00 C ATOM 182 CE LYS A 15 -8.237 0.153 -9.118 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.771 -1.191 -9.436 1.00 0.00 N ATOM 0 H LYS A 15 -3.004 1.015 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.998 1.981 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.623 -0.428 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.491 -0.611 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.293 0.608 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.292 1.799 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.170 0.564 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.429 -0.971 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.778 0.575 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.396 0.823 -9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.785 -1.119 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.267 -1.579 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.637 -1.820 -8.619 1.00 0.00 H new ATOM 197 N ILE A 16 -3.719 1.488 -3.852 1.00 0.00 N ATOM 198 CA ILE A 16 -3.065 1.160 -2.596 1.00 0.00 C ATOM 199 C ILE A 16 -4.038 0.384 -1.707 1.00 0.00 C ATOM 200 O ILE A 16 -5.225 0.704 -1.653 1.00 0.00 O ATOM 201 CB ILE A 16 -2.504 2.423 -1.939 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.410 3.052 -2.803 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.016 2.131 -0.519 1.00 0.00 C ATOM 204 CD1 ILE A 16 -1.991 3.605 -4.107 1.00 0.00 C ATOM 0 H ILE A 16 -4.286 2.336 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.207 0.511 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.310 3.153 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.921 3.854 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.646 2.308 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.622 3.045 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.847 1.764 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.230 1.376 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.192 4.047 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.458 2.796 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.737 4.366 -3.879 1.00 0.00 H new ATOM 216 N LEU A 17 -3.500 -0.621 -1.031 1.00 0.00 N ATOM 217 CA LEU A 17 -4.307 -1.445 -0.147 1.00 0.00 C ATOM 218 C LEU A 17 -3.722 -1.392 1.266 1.00 0.00 C ATOM 219 O LEU A 17 -2.520 -1.198 1.437 1.00 0.00 O ATOM 220 CB LEU A 17 -4.436 -2.863 -0.707 1.00 0.00 C ATOM 221 CG LEU A 17 -5.358 -3.807 0.067 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.629 -4.107 -0.730 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.620 -5.085 0.471 1.00 0.00 C ATOM 0 H LEU A 17 -2.515 -0.883 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.324 -1.058 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.796 -2.796 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.442 -3.309 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.664 -3.308 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.267 -4.780 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.164 -3.178 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.362 -4.577 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.298 -5.739 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.265 -5.598 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.770 -4.830 1.104 1.00 0.00 H new ATOM 235 N THR A 18 -4.600 -1.568 2.242 1.00 0.00 N ATOM 236 CA THR A 18 -4.187 -1.544 3.634 1.00 0.00 C ATOM 237 C THR A 18 -4.620 -2.829 4.343 1.00 0.00 C ATOM 238 O THR A 18 -5.710 -3.341 4.094 1.00 0.00 O ATOM 239 CB THR A 18 -4.756 -0.276 4.274 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.153 -0.346 4.001 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.300 0.997 3.558 1.00 0.00 C ATOM 0 H THR A 18 -5.597 -1.728 2.096 1.00 0.00 H new ATOM 0 HA THR A 18 -3.101 -1.512 3.723 1.00 0.00 H new ATOM 0 HB THR A 18 -4.455 -0.231 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.649 0.101 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.732 1.867 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.213 1.064 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.630 0.968 2.520 1.00 0.00 H new ATOM 249 N LEU A 19 -3.743 -3.312 5.211 1.00 0.00 N ATOM 250 CA LEU A 19 -4.021 -4.528 5.956 1.00 0.00 C ATOM 251 C LEU A 19 -3.856 -4.252 7.452 1.00 0.00 C ATOM 252 O LEU A 19 -3.289 -3.232 7.840 1.00 0.00 O ATOM 253 CB LEU A 19 -3.155 -5.681 5.444 1.00 0.00 C ATOM 254 CG LEU A 19 -3.869 -7.020 5.248 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.205 -7.838 4.139 1.00 0.00 C ATOM 256 CD2 LEU A 19 -3.949 -7.796 6.564 1.00 0.00 C ATOM 0 H LEU A 19 -2.840 -2.883 5.415 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.053 -4.843 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.715 -5.384 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.332 -5.829 6.143 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.892 -6.819 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.732 -8.785 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.244 -7.281 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.165 -8.032 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.461 -8.744 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.942 -7.988 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.501 -7.210 7.299 1.00 0.00 H new ATOM 268 N GLY A 20 -4.362 -5.180 8.252 1.00 0.00 N ATOM 269 CA GLY A 20 -4.278 -5.050 9.697 1.00 0.00 C ATOM 270 C GLY A 20 -4.858 -3.712 10.161 1.00 0.00 C ATOM 271 O GLY A 20 -5.649 -3.094 9.451 1.00 0.00 O ATOM 0 H GLY A 20 -4.832 -6.025 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.818 -5.869 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.238 -5.129 10.013 1.00 0.00 H new ATOM 275 N LYS A 21 -4.442 -3.305 11.352 1.00 0.00 N ATOM 276 CA LYS A 21 -4.910 -2.052 11.920 1.00 0.00 C ATOM 277 C LYS A 21 -3.731 -1.088 12.058 1.00 0.00 C ATOM 278 O LYS A 21 -2.726 -1.416 12.688 1.00 0.00 O ATOM 279 CB LYS A 21 -5.656 -2.305 13.232 1.00 0.00 C ATOM 280 CG LYS A 21 -6.349 -1.032 13.722 1.00 0.00 C ATOM 281 CD LYS A 21 -5.834 -0.625 15.104 1.00 0.00 C ATOM 282 CE LYS A 21 -6.978 -0.128 15.990 1.00 0.00 C ATOM 283 NZ LYS A 21 -6.449 0.671 17.119 1.00 0.00 N ATOM 0 H LYS A 21 -3.786 -3.821 11.939 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.633 -1.578 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.395 -3.093 13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.957 -2.658 13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.175 -0.223 13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.426 -1.193 13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.344 -1.475 15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.083 0.158 15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.667 0.477 15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.546 -0.977 16.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.238 1.001 17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.810 0.083 17.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.927 1.491 16.749 1.00 0.00 H new ATOM 297 N LEU A 22 -3.892 0.083 11.460 1.00 0.00 N ATOM 298 CA LEU A 22 -2.853 1.098 11.509 1.00 0.00 C ATOM 299 C LEU A 22 -3.299 2.235 12.431 1.00 0.00 C ATOM 300 O LEU A 22 -4.444 2.262 12.879 1.00 0.00 O ATOM 301 CB LEU A 22 -2.487 1.559 10.097 1.00 0.00 C ATOM 302 CG LEU A 22 -2.289 0.451 9.060 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.905 0.843 7.715 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.810 0.083 8.927 1.00 0.00 C ATOM 0 H LEU A 22 -4.727 0.352 10.939 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.937 0.685 11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.270 2.228 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.569 2.145 10.154 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.813 -0.440 9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.751 0.039 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.974 1.017 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.430 1.753 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.697 -0.706 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.244 0.960 8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.434 -0.267 9.888 1.00 0.00 H new ATOM 316 N SER A 23 -2.371 3.145 12.687 1.00 0.00 N ATOM 317 CA SER A 23 -2.655 4.281 13.547 1.00 0.00 C ATOM 318 C SER A 23 -3.846 5.069 12.998 1.00 0.00 C ATOM 319 O SER A 23 -4.727 5.476 13.754 1.00 0.00 O ATOM 320 CB SER A 23 -1.432 5.192 13.678 1.00 0.00 C ATOM 321 OG SER A 23 -1.604 6.173 14.696 1.00 0.00 O ATOM 0 H SER A 23 -1.422 3.119 12.314 1.00 0.00 H new ATOM 0 HA SER A 23 -2.903 3.904 14.539 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.552 4.588 13.901 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.245 5.687 12.725 1.00 0.00 H new ATOM 0 HG SER A 23 -0.802 6.733 14.749 1.00 0.00 H new ATOM 327 N ARG A 24 -3.835 5.260 11.687 1.00 0.00 N ATOM 328 CA ARG A 24 -4.904 5.991 11.029 1.00 0.00 C ATOM 329 C ARG A 24 -6.069 5.053 10.706 1.00 0.00 C ATOM 330 O ARG A 24 -5.986 3.849 10.946 1.00 0.00 O ATOM 331 CB ARG A 24 -4.410 6.643 9.736 1.00 0.00 C ATOM 332 CG ARG A 24 -3.471 7.813 10.036 1.00 0.00 C ATOM 333 CD ARG A 24 -3.794 9.017 9.150 1.00 0.00 C ATOM 334 NE ARG A 24 -2.709 10.020 9.242 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.548 10.859 10.274 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.401 10.822 11.308 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.535 11.736 10.273 1.00 0.00 N ATOM 0 H ARG A 24 -3.103 4.921 11.063 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.240 6.772 11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.891 5.903 9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.261 6.995 9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.560 8.095 11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.438 7.505 9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.916 8.695 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.739 9.463 9.459 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.043 10.076 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.173 10.155 11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.278 11.461 12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.886 11.765 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.413 12.375 11.059 1.00 0.00 H new ATOM 351 N ASN A 25 -7.127 5.639 10.166 1.00 0.00 N ATOM 352 CA ASN A 25 -8.307 4.871 9.808 1.00 0.00 C ATOM 353 C ASN A 25 -8.366 4.713 8.287 1.00 0.00 C ATOM 354 O ASN A 25 -7.847 5.552 7.552 1.00 0.00 O ATOM 355 CB ASN A 25 -9.585 5.581 10.259 1.00 0.00 C ATOM 356 CG ASN A 25 -9.488 7.089 10.021 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.582 7.575 8.906 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.294 7.799 11.129 1.00 0.00 N ATOM 0 H ASN A 25 -7.192 6.637 9.968 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.240 3.901 10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.440 5.178 9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.759 5.387 11.317 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.215 8.815 11.077 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.225 7.328 12.031 1.00 0.00 H new ATOM 365 N LYS A 26 -9.002 3.632 7.860 1.00 0.00 N ATOM 366 CA LYS A 26 -9.134 3.354 6.440 1.00 0.00 C ATOM 367 C LYS A 26 -9.433 4.657 5.695 1.00 0.00 C ATOM 368 O LYS A 26 -8.810 4.949 4.676 1.00 0.00 O ATOM 369 CB LYS A 26 -10.176 2.258 6.204 1.00 0.00 C ATOM 370 CG LYS A 26 -10.224 1.856 4.729 1.00 0.00 C ATOM 371 CD LYS A 26 -9.331 0.643 4.462 1.00 0.00 C ATOM 372 CE LYS A 26 -10.124 -0.488 3.804 1.00 0.00 C ATOM 373 NZ LYS A 26 -10.500 -1.509 4.807 1.00 0.00 N ATOM 0 H LYS A 26 -9.431 2.938 8.472 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.198 2.965 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.938 1.387 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.158 2.610 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.251 1.626 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.901 2.693 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.501 0.933 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.899 0.292 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.021 -0.085 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.528 -0.947 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.038 -2.269 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.640 -1.906 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.087 -1.071 5.545 1.00 0.00 H new ATOM 387 N ASP A 27 -10.385 5.404 6.234 1.00 0.00 N ATOM 388 CA ASP A 27 -10.773 6.669 5.633 1.00 0.00 C ATOM 389 C ASP A 27 -9.529 7.537 5.434 1.00 0.00 C ATOM 390 O ASP A 27 -9.186 7.886 4.305 1.00 0.00 O ATOM 391 CB ASP A 27 -11.743 7.433 6.536 1.00 0.00 C ATOM 392 CG ASP A 27 -13.020 6.673 6.903 1.00 0.00 C ATOM 393 OD1 ASP A 27 -13.380 5.761 6.128 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.607 7.022 7.950 1.00 0.00 O ATOM 0 H ASP A 27 -10.899 5.158 7.080 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.259 6.455 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.223 7.705 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.021 8.363 6.040 1.00 0.00 H new ATOM 399 N GLU A 28 -8.889 7.861 6.547 1.00 0.00 N ATOM 400 CA GLU A 28 -7.690 8.682 6.509 1.00 0.00 C ATOM 401 C GLU A 28 -6.752 8.201 5.400 1.00 0.00 C ATOM 402 O GLU A 28 -6.372 8.977 4.525 1.00 0.00 O ATOM 403 CB GLU A 28 -6.982 8.682 7.865 1.00 0.00 C ATOM 404 CG GLU A 28 -7.755 9.516 8.888 1.00 0.00 C ATOM 405 CD GLU A 28 -7.163 10.922 9.009 1.00 0.00 C ATOM 406 OE1 GLU A 28 -7.517 11.762 8.153 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.370 11.125 9.954 1.00 0.00 O ATOM 0 H GLU A 28 -9.177 7.570 7.481 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.983 9.709 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.881 7.659 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.974 9.081 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.802 9.583 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.729 9.022 9.859 1.00 0.00 H new ATOM 414 N VAL A 29 -6.407 6.924 5.474 1.00 0.00 N ATOM 415 CA VAL A 29 -5.521 6.330 4.487 1.00 0.00 C ATOM 416 C VAL A 29 -6.156 6.451 3.100 1.00 0.00 C ATOM 417 O VAL A 29 -5.465 6.726 2.120 1.00 0.00 O ATOM 418 CB VAL A 29 -5.200 4.885 4.874 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.326 4.215 3.812 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.537 4.821 6.251 1.00 0.00 C ATOM 0 H VAL A 29 -6.725 6.284 6.202 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.571 6.863 4.457 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.140 4.336 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.112 3.189 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.851 4.213 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.391 4.766 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.319 3.783 6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.609 5.393 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.210 5.242 6.999 1.00 0.00 H new ATOM 430 N LYS A 30 -7.463 6.239 3.062 1.00 0.00 N ATOM 431 CA LYS A 30 -8.198 6.321 1.811 1.00 0.00 C ATOM 432 C LYS A 30 -8.100 7.744 1.259 1.00 0.00 C ATOM 433 O LYS A 30 -8.031 7.940 0.047 1.00 0.00 O ATOM 434 CB LYS A 30 -9.636 5.833 2.002 1.00 0.00 C ATOM 435 CG LYS A 30 -10.499 6.182 0.788 1.00 0.00 C ATOM 436 CD LYS A 30 -11.986 6.018 1.107 1.00 0.00 C ATOM 437 CE LYS A 30 -12.786 5.697 -0.157 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.933 6.622 -0.293 1.00 0.00 N ATOM 0 H LYS A 30 -8.032 6.011 3.877 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.757 5.659 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.640 4.754 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.062 6.286 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.301 7.208 0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.230 5.539 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.119 5.221 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.367 6.933 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.141 5.776 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.144 4.668 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.465 6.390 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.556 6.526 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.585 7.600 -0.353 1.00 0.00 H new ATOM 452 N ALA A 31 -8.097 8.701 2.175 1.00 0.00 N ATOM 453 CA ALA A 31 -8.009 10.101 1.795 1.00 0.00 C ATOM 454 C ALA A 31 -6.589 10.406 1.314 1.00 0.00 C ATOM 455 O ALA A 31 -6.404 11.090 0.308 1.00 0.00 O ATOM 456 CB ALA A 31 -8.424 10.979 2.978 1.00 0.00 C ATOM 0 H ALA A 31 -8.154 8.535 3.180 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.690 10.318 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.358 12.029 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.450 10.744 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.761 10.790 3.822 1.00 0.00 H new ATOM 462 N MET A 32 -5.623 9.883 2.054 1.00 0.00 N ATOM 463 CA MET A 32 -4.225 10.090 1.715 1.00 0.00 C ATOM 464 C MET A 32 -3.923 9.588 0.301 1.00 0.00 C ATOM 465 O MET A 32 -3.628 10.380 -0.593 1.00 0.00 O ATOM 466 CB MET A 32 -3.340 9.350 2.719 1.00 0.00 C ATOM 467 CG MET A 32 -2.506 10.332 3.544 1.00 0.00 C ATOM 468 SD MET A 32 -1.229 11.053 2.527 1.00 0.00 S ATOM 469 CE MET A 32 0.061 11.251 3.744 1.00 0.00 C ATOM 0 H MET A 32 -5.780 9.316 2.887 1.00 0.00 H new ATOM 0 HA MET A 32 -4.017 11.159 1.753 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.961 8.748 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.680 8.662 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.147 11.116 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.058 9.817 4.394 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.351 12.300 3.800 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.304 10.923 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.925 10.651 3.459 1.00 0.00 H new ATOM 479 N ILE A 33 -4.008 8.275 0.143 1.00 0.00 N ATOM 480 CA ILE A 33 -3.748 7.658 -1.146 1.00 0.00 C ATOM 481 C ILE A 33 -4.473 8.446 -2.239 1.00 0.00 C ATOM 482 O ILE A 33 -4.013 8.501 -3.379 1.00 0.00 O ATOM 483 CB ILE A 33 -4.114 6.173 -1.113 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.251 5.418 -0.099 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.028 5.556 -2.510 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.011 4.228 0.489 1.00 0.00 C ATOM 0 H ILE A 33 -4.253 7.622 0.887 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.684 7.695 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.150 6.084 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.338 5.069 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.950 6.093 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.293 4.500 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.718 6.071 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.011 5.657 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.375 3.709 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.911 4.583 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.289 3.543 -0.312 1.00 0.00 H new ATOM 498 N GLU A 34 -5.595 9.036 -1.854 1.00 0.00 N ATOM 499 CA GLU A 34 -6.388 9.818 -2.787 1.00 0.00 C ATOM 500 C GLU A 34 -5.758 11.198 -2.993 1.00 0.00 C ATOM 501 O GLU A 34 -5.730 11.711 -4.110 1.00 0.00 O ATOM 502 CB GLU A 34 -7.835 9.943 -2.306 1.00 0.00 C ATOM 503 CG GLU A 34 -8.680 8.768 -2.802 1.00 0.00 C ATOM 504 CD GLU A 34 -10.110 9.214 -3.113 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.332 9.645 -4.265 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.949 9.113 -2.192 1.00 0.00 O ATOM 0 H GLU A 34 -5.974 8.988 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.401 9.299 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.858 9.978 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.262 10.880 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.226 8.341 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.696 7.983 -2.046 1.00 0.00 H new ATOM 513 N LYS A 35 -5.267 11.758 -1.897 1.00 0.00 N ATOM 514 CA LYS A 35 -4.640 13.068 -1.943 1.00 0.00 C ATOM 515 C LYS A 35 -3.421 13.012 -2.867 1.00 0.00 C ATOM 516 O LYS A 35 -3.266 13.856 -3.748 1.00 0.00 O ATOM 517 CB LYS A 35 -4.319 13.558 -0.530 1.00 0.00 C ATOM 518 CG LYS A 35 -3.240 14.643 -0.558 1.00 0.00 C ATOM 519 CD LYS A 35 -1.864 14.057 -0.234 1.00 0.00 C ATOM 520 CE LYS A 35 -1.578 14.128 1.267 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.147 15.491 1.649 1.00 0.00 N ATOM 0 H LYS A 35 -5.291 11.329 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.325 13.805 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.222 13.950 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.982 12.721 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.217 15.112 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.485 15.424 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.818 13.020 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.095 14.602 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.472 13.853 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.803 13.408 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.924 15.513 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.301 15.753 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.912 16.166 1.448 1.00 0.00 H new ATOM 535 N LEU A 36 -2.587 12.009 -2.633 1.00 0.00 N ATOM 536 CA LEU A 36 -1.387 11.833 -3.433 1.00 0.00 C ATOM 537 C LEU A 36 -1.771 11.760 -4.912 1.00 0.00 C ATOM 538 O LEU A 36 -1.079 12.312 -5.765 1.00 0.00 O ATOM 539 CB LEU A 36 -0.591 10.621 -2.944 1.00 0.00 C ATOM 540 CG LEU A 36 0.380 10.878 -1.790 1.00 0.00 C ATOM 541 CD1 LEU A 36 1.204 12.143 -2.038 1.00 0.00 C ATOM 542 CD2 LEU A 36 -0.360 10.929 -0.452 1.00 0.00 C ATOM 0 H LEU A 36 -2.719 11.311 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.723 12.690 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.296 9.849 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.026 10.219 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 36 1.079 10.043 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.886 12.303 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.777 12.029 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.537 13.000 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.353 11.113 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.097 11.732 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.865 9.978 -0.279 1.00 0.00 H new ATOM 554 N GLY A 37 -2.875 11.073 -5.171 1.00 0.00 N ATOM 555 CA GLY A 37 -3.359 10.921 -6.532 1.00 0.00 C ATOM 556 C GLY A 37 -3.793 9.478 -6.801 1.00 0.00 C ATOM 557 O GLY A 37 -4.372 9.185 -7.846 1.00 0.00 O ATOM 0 H GLY A 37 -3.447 10.616 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.199 11.595 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.576 11.206 -7.234 1.00 0.00 H new ATOM 561 N GLY A 38 -3.498 8.616 -5.840 1.00 0.00 N ATOM 562 CA GLY A 38 -3.850 7.211 -5.960 1.00 0.00 C ATOM 563 C GLY A 38 -5.297 6.970 -5.525 1.00 0.00 C ATOM 564 O GLY A 38 -6.092 7.906 -5.454 1.00 0.00 O ATOM 0 H GLY A 38 -3.019 8.863 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.718 6.886 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.177 6.610 -5.348 1.00 0.00 H new ATOM 568 N LYS A 39 -5.595 5.710 -5.246 1.00 0.00 N ATOM 569 CA LYS A 39 -6.932 5.334 -4.820 1.00 0.00 C ATOM 570 C LYS A 39 -6.858 4.045 -3.998 1.00 0.00 C ATOM 571 O LYS A 39 -6.219 3.078 -4.410 1.00 0.00 O ATOM 572 CB LYS A 39 -7.872 5.241 -6.024 1.00 0.00 C ATOM 573 CG LYS A 39 -8.497 6.602 -6.338 1.00 0.00 C ATOM 574 CD LYS A 39 -8.057 7.102 -7.716 1.00 0.00 C ATOM 575 CE LYS A 39 -9.265 7.335 -8.625 1.00 0.00 C ATOM 576 NZ LYS A 39 -8.873 8.122 -9.816 1.00 0.00 N ATOM 0 H LYS A 39 -4.933 4.936 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.355 6.102 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.321 4.881 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.658 4.514 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.584 6.523 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.207 7.324 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.494 8.029 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.387 6.374 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.684 6.378 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.045 7.861 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.705 8.271 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.495 9.043 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.144 7.606 -10.349 1.00 0.00 H new ATOM 590 N LEU A 40 -7.519 4.075 -2.850 1.00 0.00 N ATOM 591 CA LEU A 40 -7.535 2.921 -1.967 1.00 0.00 C ATOM 592 C LEU A 40 -8.467 1.855 -2.545 1.00 0.00 C ATOM 593 O LEU A 40 -9.530 2.175 -3.076 1.00 0.00 O ATOM 594 CB LEU A 40 -7.894 3.344 -0.541 1.00 0.00 C ATOM 595 CG LEU A 40 -7.672 2.291 0.547 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.809 2.848 1.681 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.005 1.741 1.058 1.00 0.00 C ATOM 0 H LEU A 40 -8.047 4.879 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.542 2.476 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.309 4.228 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.943 3.640 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.127 1.456 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.667 2.080 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.840 3.151 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.305 3.711 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.819 0.995 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.598 2.555 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.549 1.281 0.233 1.00 0.00 H new ATOM 609 N THR A 41 -8.036 0.608 -2.422 1.00 0.00 N ATOM 610 CA THR A 41 -8.819 -0.508 -2.925 1.00 0.00 C ATOM 611 C THR A 41 -9.094 -1.514 -1.807 1.00 0.00 C ATOM 612 O THR A 41 -8.518 -1.418 -0.724 1.00 0.00 O ATOM 613 CB THR A 41 -8.071 -1.111 -4.116 1.00 0.00 C ATOM 614 OG1 THR A 41 -8.897 -2.195 -4.532 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.758 -1.781 -3.704 1.00 0.00 C ATOM 0 H THR A 41 -7.154 0.346 -1.981 1.00 0.00 H new ATOM 0 HA THR A 41 -9.799 -0.180 -3.271 1.00 0.00 H new ATOM 0 HB THR A 41 -7.867 -0.331 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.487 -2.642 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.267 -2.192 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.105 -1.045 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.966 -2.584 -2.997 1.00 0.00 H new ATOM 623 N GLY A 42 -9.974 -2.458 -2.106 1.00 0.00 N ATOM 624 CA GLY A 42 -10.332 -3.482 -1.139 1.00 0.00 C ATOM 625 C GLY A 42 -9.637 -4.806 -1.460 1.00 0.00 C ATOM 626 O GLY A 42 -9.076 -5.448 -0.573 1.00 0.00 O ATOM 0 H GLY A 42 -10.450 -2.535 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.054 -3.155 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.413 -3.625 -1.139 1.00 0.00 H new ATOM 630 N THR A 43 -9.697 -5.177 -2.731 1.00 0.00 N ATOM 631 CA THR A 43 -9.080 -6.413 -3.180 1.00 0.00 C ATOM 632 C THR A 43 -7.567 -6.234 -3.320 1.00 0.00 C ATOM 633 O THR A 43 -7.100 -5.178 -3.742 1.00 0.00 O ATOM 634 CB THR A 43 -9.764 -6.838 -4.481 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.136 -6.513 -4.273 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.766 -8.356 -4.673 1.00 0.00 C ATOM 0 H THR A 43 -10.164 -4.643 -3.464 1.00 0.00 H new ATOM 0 HA THR A 43 -9.215 -7.210 -2.449 1.00 0.00 H new ATOM 0 HB THR A 43 -9.262 -6.366 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.654 -6.754 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.263 -8.603 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.739 -8.721 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.297 -8.827 -3.846 1.00 0.00 H new ATOM 644 N ALA A 44 -6.843 -7.283 -2.957 1.00 0.00 N ATOM 645 CA ALA A 44 -5.393 -7.255 -3.037 1.00 0.00 C ATOM 646 C ALA A 44 -4.958 -7.585 -4.466 1.00 0.00 C ATOM 647 O ALA A 44 -4.009 -6.997 -4.982 1.00 0.00 O ATOM 648 CB ALA A 44 -4.806 -8.226 -2.010 1.00 0.00 C ATOM 0 H ALA A 44 -7.234 -8.158 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.015 -6.261 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.718 -8.205 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.120 -7.930 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.162 -9.235 -2.219 1.00 0.00 H new ATOM 654 N ASN A 45 -5.674 -8.525 -5.066 1.00 0.00 N ATOM 655 CA ASN A 45 -5.374 -8.941 -6.426 1.00 0.00 C ATOM 656 C ASN A 45 -5.580 -7.757 -7.373 1.00 0.00 C ATOM 657 O ASN A 45 -5.074 -7.760 -8.494 1.00 0.00 O ATOM 658 CB ASN A 45 -6.303 -10.072 -6.873 1.00 0.00 C ATOM 659 CG ASN A 45 -6.015 -10.477 -8.320 1.00 0.00 C ATOM 660 OD1 ASN A 45 -7.106 -10.656 -9.059 1.00 0.00 O flip ATOM 661 ND2 ASN A 45 -4.877 -10.618 -8.738 1.00 0.00 N flip ATOM 0 H ASN A 45 -6.461 -9.010 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.342 -9.290 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.175 -10.934 -6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.341 -9.753 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.083 -10.465 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.720 -10.889 -9.709 1.00 0.00 H new ATOM 668 N LYS A 46 -6.323 -6.774 -6.887 1.00 0.00 N ATOM 669 CA LYS A 46 -6.602 -5.586 -7.677 1.00 0.00 C ATOM 670 C LYS A 46 -5.981 -4.367 -6.992 1.00 0.00 C ATOM 671 O LYS A 46 -6.619 -3.321 -6.883 1.00 0.00 O ATOM 672 CB LYS A 46 -8.105 -5.451 -7.929 1.00 0.00 C ATOM 673 CG LYS A 46 -8.618 -6.592 -8.811 1.00 0.00 C ATOM 674 CD LYS A 46 -9.275 -7.685 -7.966 1.00 0.00 C ATOM 675 CE LYS A 46 -10.378 -8.397 -8.752 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.798 -9.432 -9.637 1.00 0.00 N ATOM 0 H LYS A 46 -6.741 -6.775 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.143 -5.667 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.638 -5.453 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.312 -4.494 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.337 -6.204 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.791 -7.016 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.523 -8.408 -7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.694 -7.247 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.086 -8.855 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.935 -7.673 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.413 -10.271 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.719 -9.057 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.854 -9.696 -9.290 1.00 0.00 H new ATOM 690 N ALA A 47 -4.745 -4.542 -6.549 1.00 0.00 N ATOM 691 CA ALA A 47 -4.031 -3.469 -5.878 1.00 0.00 C ATOM 692 C ALA A 47 -2.596 -3.411 -6.404 1.00 0.00 C ATOM 693 O ALA A 47 -2.099 -4.382 -6.972 1.00 0.00 O ATOM 694 CB ALA A 47 -4.090 -3.685 -4.365 1.00 0.00 C ATOM 0 H ALA A 47 -4.219 -5.411 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.498 -2.507 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.554 -2.880 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.130 -3.689 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.628 -4.640 -4.116 1.00 0.00 H new ATOM 700 N SER A 48 -1.970 -2.262 -6.197 1.00 0.00 N ATOM 701 CA SER A 48 -0.601 -2.064 -6.643 1.00 0.00 C ATOM 702 C SER A 48 0.333 -1.959 -5.435 1.00 0.00 C ATOM 703 O SER A 48 1.505 -2.321 -5.520 1.00 0.00 O ATOM 704 CB SER A 48 -0.482 -0.813 -7.516 1.00 0.00 C ATOM 705 OG SER A 48 -1.262 -0.915 -8.704 1.00 0.00 O ATOM 0 H SER A 48 -2.386 -1.458 -5.726 1.00 0.00 H new ATOM 0 HA SER A 48 -0.310 -2.924 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.802 0.059 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.563 -0.654 -7.781 1.00 0.00 H new ATOM 0 HG SER A 48 -1.160 -0.096 -9.233 1.00 0.00 H new ATOM 711 N LEU A 49 -0.222 -1.463 -4.339 1.00 0.00 N ATOM 712 CA LEU A 49 0.546 -1.307 -3.116 1.00 0.00 C ATOM 713 C LEU A 49 -0.236 -1.906 -1.947 1.00 0.00 C ATOM 714 O LEU A 49 -1.448 -2.097 -2.039 1.00 0.00 O ATOM 715 CB LEU A 49 0.933 0.159 -2.910 1.00 0.00 C ATOM 716 CG LEU A 49 2.309 0.410 -2.291 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.384 -0.428 -2.987 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.651 1.901 -2.299 1.00 0.00 C ATOM 0 H LEU A 49 -1.195 -1.164 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 49 1.486 -1.855 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.894 0.663 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.180 0.627 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 49 2.277 0.093 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.353 -0.231 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.143 -1.486 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.423 -0.165 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.634 2.051 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.658 2.267 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.904 2.449 -1.724 1.00 0.00 H new ATOM 730 N CYS A 50 0.488 -2.187 -0.873 1.00 0.00 N ATOM 731 CA CYS A 50 -0.124 -2.761 0.313 1.00 0.00 C ATOM 732 C CYS A 50 0.559 -2.161 1.544 1.00 0.00 C ATOM 733 O CYS A 50 1.761 -2.337 1.738 1.00 0.00 O ATOM 734 CB CYS A 50 -0.048 -4.289 0.306 1.00 0.00 C ATOM 735 SG CYS A 50 -1.036 -4.972 1.686 1.00 0.00 S ATOM 0 H CYS A 50 1.493 -2.028 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.186 -2.516 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.419 -4.675 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.990 -4.610 0.397 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.490 -6.074 2.107 1.00 0.00 H new ATOM 741 N ILE A 51 -0.237 -1.466 2.343 1.00 0.00 N ATOM 742 CA ILE A 51 0.276 -0.840 3.550 1.00 0.00 C ATOM 743 C ILE A 51 -0.141 -1.669 4.766 1.00 0.00 C ATOM 744 O ILE A 51 -1.240 -1.496 5.293 1.00 0.00 O ATOM 745 CB ILE A 51 -0.164 0.624 3.622 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.417 1.429 2.458 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.192 1.237 4.978 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.011 2.896 2.539 1.00 0.00 C ATOM 0 H ILE A 51 -1.233 -1.322 2.178 1.00 0.00 H new ATOM 0 HA ILE A 51 1.366 -0.821 3.536 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.249 0.660 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.505 1.362 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.084 1.001 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.131 2.278 5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.309 0.682 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.271 1.189 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.415 3.446 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.098 2.960 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.345 3.328 3.474 1.00 0.00 H new ATOM 760 N SER A 52 0.757 -2.551 5.178 1.00 0.00 N ATOM 761 CA SER A 52 0.496 -3.407 6.323 1.00 0.00 C ATOM 762 C SER A 52 1.619 -3.262 7.351 1.00 0.00 C ATOM 763 O SER A 52 2.487 -2.402 7.212 1.00 0.00 O ATOM 764 CB SER A 52 0.352 -4.869 5.896 1.00 0.00 C ATOM 765 OG SER A 52 -0.226 -5.671 6.923 1.00 0.00 O ATOM 0 H SER A 52 1.667 -2.692 4.739 1.00 0.00 H new ATOM 0 HA SER A 52 -0.445 -3.095 6.776 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.267 -4.926 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.332 -5.268 5.633 1.00 0.00 H new ATOM 0 HG SER A 52 -0.828 -5.122 7.467 1.00 0.00 H new ATOM 771 N THR A 53 1.567 -4.118 8.362 1.00 0.00 N ATOM 772 CA THR A 53 2.569 -4.096 9.413 1.00 0.00 C ATOM 773 C THR A 53 3.417 -5.369 9.368 1.00 0.00 C ATOM 774 O THR A 53 2.979 -6.393 8.847 1.00 0.00 O ATOM 775 CB THR A 53 1.850 -3.893 10.748 1.00 0.00 C ATOM 776 OG1 THR A 53 0.846 -4.905 10.759 1.00 0.00 O ATOM 777 CG2 THR A 53 1.059 -2.584 10.795 1.00 0.00 C ATOM 0 H THR A 53 0.846 -4.831 8.475 1.00 0.00 H new ATOM 0 HA THR A 53 3.268 -3.271 9.275 1.00 0.00 H new ATOM 0 HB THR A 53 2.579 -3.906 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.332 -4.847 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.568 -2.490 11.764 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.737 -1.743 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.307 -2.585 10.006 1.00 0.00 H new ATOM 785 N LYS A 54 4.617 -5.262 9.920 1.00 0.00 N ATOM 786 CA LYS A 54 5.531 -6.391 9.949 1.00 0.00 C ATOM 787 C LYS A 54 4.768 -7.649 10.370 1.00 0.00 C ATOM 788 O LYS A 54 4.783 -8.655 9.663 1.00 0.00 O ATOM 789 CB LYS A 54 6.740 -6.080 10.834 1.00 0.00 C ATOM 790 CG LYS A 54 7.484 -7.361 11.216 1.00 0.00 C ATOM 791 CD LYS A 54 8.998 -7.164 11.123 1.00 0.00 C ATOM 792 CE LYS A 54 9.485 -7.323 9.682 1.00 0.00 C ATOM 793 NZ LYS A 54 10.132 -8.641 9.496 1.00 0.00 N ATOM 0 H LYS A 54 4.977 -4.410 10.351 1.00 0.00 H new ATOM 0 HA LYS A 54 5.934 -6.580 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.416 -5.406 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.412 -5.563 11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.213 -7.654 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.178 -8.174 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.263 -6.173 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.502 -7.888 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.645 -7.224 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.190 -6.528 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.457 -8.733 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.946 -8.722 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.449 -9.396 9.707 1.00 0.00 H new ATOM 807 N LYS A 55 4.118 -7.550 11.521 1.00 0.00 N ATOM 808 CA LYS A 55 3.351 -8.667 12.045 1.00 0.00 C ATOM 809 C LYS A 55 2.511 -9.276 10.920 1.00 0.00 C ATOM 810 O LYS A 55 2.735 -10.418 10.522 1.00 0.00 O ATOM 811 CB LYS A 55 2.528 -8.229 13.258 1.00 0.00 C ATOM 812 CG LYS A 55 3.237 -8.596 14.563 1.00 0.00 C ATOM 813 CD LYS A 55 2.633 -7.839 15.747 1.00 0.00 C ATOM 814 CE LYS A 55 3.691 -7.558 16.816 1.00 0.00 C ATOM 815 NZ LYS A 55 3.084 -7.582 18.166 1.00 0.00 N ATOM 0 H LYS A 55 4.107 -6.714 12.105 1.00 0.00 H new ATOM 0 HA LYS A 55 4.017 -9.450 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.363 -7.152 13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.547 -8.703 13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.158 -9.669 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.299 -8.364 14.482 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.202 -6.899 15.401 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.820 -8.422 16.179 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.485 -8.302 16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.150 -6.586 16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.816 -7.389 18.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.342 -6.855 18.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.667 -8.518 18.342 1.00 0.00 H new ATOM 829 N GLU A 56 1.562 -8.486 10.439 1.00 0.00 N ATOM 830 CA GLU A 56 0.688 -8.933 9.368 1.00 0.00 C ATOM 831 C GLU A 56 1.470 -9.785 8.366 1.00 0.00 C ATOM 832 O GLU A 56 1.217 -10.982 8.233 1.00 0.00 O ATOM 833 CB GLU A 56 0.020 -7.745 8.673 1.00 0.00 C ATOM 834 CG GLU A 56 -1.494 -7.763 8.890 1.00 0.00 C ATOM 835 CD GLU A 56 -1.834 -8.009 10.362 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.406 -7.176 11.190 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.513 -9.024 10.625 1.00 0.00 O ATOM 0 H GLU A 56 1.379 -7.539 10.771 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.100 -9.548 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.435 -6.814 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.238 -7.774 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.923 -6.814 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.944 -8.542 8.274 1.00 0.00 H new ATOM 844 N VAL A 57 2.404 -9.136 7.687 1.00 0.00 N ATOM 845 CA VAL A 57 3.224 -9.819 6.701 1.00 0.00 C ATOM 846 C VAL A 57 3.747 -11.127 7.298 1.00 0.00 C ATOM 847 O VAL A 57 3.766 -12.157 6.625 1.00 0.00 O ATOM 848 CB VAL A 57 4.342 -8.893 6.218 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.311 -9.638 5.296 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.768 -7.656 5.525 1.00 0.00 C ATOM 0 H VAL A 57 2.611 -8.144 7.800 1.00 0.00 H new ATOM 0 HA VAL A 57 2.631 -10.076 5.823 1.00 0.00 H new ATOM 0 HB VAL A 57 4.901 -8.558 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.096 -8.957 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.758 -10.473 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.770 -10.015 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.584 -7.014 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.173 -7.964 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.137 -7.107 6.224 1.00 0.00 H new ATOM 860 N GLU A 58 4.159 -11.044 8.554 1.00 0.00 N ATOM 861 CA GLU A 58 4.681 -12.209 9.249 1.00 0.00 C ATOM 862 C GLU A 58 3.566 -13.230 9.485 1.00 0.00 C ATOM 863 O GLU A 58 3.826 -14.429 9.572 1.00 0.00 O ATOM 864 CB GLU A 58 5.346 -11.808 10.567 1.00 0.00 C ATOM 865 CG GLU A 58 6.837 -11.528 10.366 1.00 0.00 C ATOM 866 CD GLU A 58 7.626 -11.812 11.646 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.380 -12.885 12.237 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.457 -10.950 12.004 1.00 0.00 O ATOM 0 H GLU A 58 4.142 -10.188 9.109 1.00 0.00 H new ATOM 0 HA GLU A 58 5.443 -12.671 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.857 -10.921 10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.217 -12.604 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.220 -12.146 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.979 -10.489 10.070 1.00 0.00 H new ATOM 875 N LYS A 59 2.349 -12.717 9.582 1.00 0.00 N ATOM 876 CA LYS A 59 1.193 -13.569 9.807 1.00 0.00 C ATOM 877 C LYS A 59 0.905 -14.375 8.539 1.00 0.00 C ATOM 878 O LYS A 59 0.477 -15.525 8.614 1.00 0.00 O ATOM 879 CB LYS A 59 0.003 -12.740 10.293 1.00 0.00 C ATOM 880 CG LYS A 59 0.382 -11.897 11.512 1.00 0.00 C ATOM 881 CD LYS A 59 -0.212 -12.487 12.793 1.00 0.00 C ATOM 882 CE LYS A 59 -1.734 -12.328 12.814 1.00 0.00 C ATOM 883 NZ LYS A 59 -2.109 -10.998 13.342 1.00 0.00 N ATOM 0 H LYS A 59 2.138 -11.722 9.509 1.00 0.00 H new ATOM 0 HA LYS A 59 1.397 -14.287 10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.343 -12.089 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.825 -13.401 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.467 -11.846 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.025 -10.876 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.048 -13.543 12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.221 -11.991 13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.132 -12.451 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.179 -13.109 13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.074 -11.037 13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.445 -10.723 14.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.072 -10.297 12.575 1.00 0.00 H new ATOM 897 N MET A 60 1.152 -13.739 7.403 1.00 0.00 N ATOM 898 CA MET A 60 0.924 -14.382 6.120 1.00 0.00 C ATOM 899 C MET A 60 -0.532 -14.831 5.983 1.00 0.00 C ATOM 900 O MET A 60 -0.843 -15.699 5.168 1.00 0.00 O ATOM 901 CB MET A 60 1.848 -15.595 5.986 1.00 0.00 C ATOM 902 CG MET A 60 3.203 -15.190 5.402 1.00 0.00 C ATOM 903 SD MET A 60 3.131 -15.216 3.619 1.00 0.00 S ATOM 904 CE MET A 60 2.459 -13.591 3.312 1.00 0.00 C ATOM 0 H MET A 60 1.508 -12.785 7.345 1.00 0.00 H new ATOM 0 HA MET A 60 1.138 -13.662 5.330 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.992 -16.056 6.963 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.381 -16.343 5.346 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.474 -14.193 5.749 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.978 -15.871 5.753 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.806 -13.231 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.370 -13.642 3.311 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.790 -12.907 4.093 1.00 0.00 H new ATOM 914 N ASN A 61 -1.385 -14.220 6.791 1.00 0.00 N ATOM 915 CA ASN A 61 -2.801 -14.546 6.770 1.00 0.00 C ATOM 916 C ASN A 61 -3.355 -14.302 5.365 1.00 0.00 C ATOM 917 O ASN A 61 -2.693 -13.686 4.531 1.00 0.00 O ATOM 918 CB ASN A 61 -3.583 -13.665 7.746 1.00 0.00 C ATOM 919 CG ASN A 61 -3.619 -12.212 7.266 1.00 0.00 C ATOM 920 OD1 ASN A 61 -3.062 -11.856 6.240 1.00 0.00 O ATOM 921 ND2 ASN A 61 -4.304 -11.396 8.062 1.00 0.00 N ATOM 0 H ASN A 61 -1.123 -13.501 7.465 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.911 -15.591 7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.600 -14.043 7.848 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.124 -13.714 8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.387 -10.407 7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.746 -11.760 8.906 1.00 0.00 H new ATOM 928 N LYS A 62 -4.563 -14.799 5.146 1.00 0.00 N ATOM 929 CA LYS A 62 -5.214 -14.643 3.856 1.00 0.00 C ATOM 930 C LYS A 62 -5.010 -13.212 3.356 1.00 0.00 C ATOM 931 O LYS A 62 -4.488 -13.000 2.262 1.00 0.00 O ATOM 932 CB LYS A 62 -6.683 -15.061 3.943 1.00 0.00 C ATOM 933 CG LYS A 62 -7.109 -15.830 2.690 1.00 0.00 C ATOM 934 CD LYS A 62 -7.778 -17.155 3.062 1.00 0.00 C ATOM 935 CE LYS A 62 -9.249 -16.945 3.425 1.00 0.00 C ATOM 936 NZ LYS A 62 -9.462 -17.167 4.873 1.00 0.00 N ATOM 0 H LYS A 62 -5.108 -15.310 5.840 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.761 -15.306 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.836 -15.682 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.310 -14.177 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.798 -15.223 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.238 -16.021 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.702 -17.852 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.253 -17.607 3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.555 -15.934 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.873 -17.630 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.466 -17.020 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.189 -18.140 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.881 -16.497 5.416 1.00 0.00 H new ATOM 950 N LYS A 63 -5.432 -12.265 4.182 1.00 0.00 N ATOM 951 CA LYS A 63 -5.303 -10.859 3.837 1.00 0.00 C ATOM 952 C LYS A 63 -3.921 -10.613 3.229 1.00 0.00 C ATOM 953 O LYS A 63 -3.790 -9.870 2.257 1.00 0.00 O ATOM 954 CB LYS A 63 -5.605 -9.980 5.052 1.00 0.00 C ATOM 955 CG LYS A 63 -7.113 -9.869 5.287 1.00 0.00 C ATOM 956 CD LYS A 63 -7.695 -11.205 5.753 1.00 0.00 C ATOM 957 CE LYS A 63 -9.049 -11.005 6.436 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.056 -11.643 7.771 1.00 0.00 N ATOM 0 H LYS A 63 -5.863 -12.444 5.089 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.038 -10.583 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.125 -10.399 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.183 -8.987 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.313 -9.101 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.606 -9.555 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.809 -11.873 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.003 -11.686 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.259 -9.940 6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.840 -11.431 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.983 -11.498 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.877 -12.662 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.314 -11.218 8.363 1.00 0.00 H new ATOM 972 N MET A 64 -2.925 -11.251 3.825 1.00 0.00 N ATOM 973 CA MET A 64 -1.557 -11.110 3.354 1.00 0.00 C ATOM 974 C MET A 64 -1.286 -12.045 2.173 1.00 0.00 C ATOM 975 O MET A 64 -0.424 -11.765 1.341 1.00 0.00 O ATOM 976 CB MET A 64 -0.589 -11.432 4.494 1.00 0.00 C ATOM 977 CG MET A 64 0.851 -11.098 4.100 1.00 0.00 C ATOM 978 SD MET A 64 1.025 -9.337 3.860 1.00 0.00 S ATOM 979 CE MET A 64 0.406 -8.748 5.427 1.00 0.00 C ATOM 0 H MET A 64 -3.037 -11.867 4.630 1.00 0.00 H new ATOM 0 HA MET A 64 -1.410 -10.083 3.021 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.867 -10.866 5.383 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.664 -12.488 4.752 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.537 -11.437 4.876 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.118 -11.626 3.185 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.058 -7.959 5.802 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.602 -8.354 5.295 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.383 -9.571 6.142 1.00 0.00 H new ATOM 989 N GLU A 65 -2.036 -13.136 2.138 1.00 0.00 N ATOM 990 CA GLU A 65 -1.887 -14.113 1.074 1.00 0.00 C ATOM 991 C GLU A 65 -2.342 -13.518 -0.260 1.00 0.00 C ATOM 992 O GLU A 65 -1.746 -13.791 -1.301 1.00 0.00 O ATOM 993 CB GLU A 65 -2.658 -15.395 1.394 1.00 0.00 C ATOM 994 CG GLU A 65 -4.017 -15.407 0.691 1.00 0.00 C ATOM 995 CD GLU A 65 -4.556 -16.834 0.564 1.00 0.00 C ATOM 996 OE1 GLU A 65 -4.396 -17.590 1.546 1.00 0.00 O ATOM 997 OE2 GLU A 65 -5.117 -17.135 -0.511 1.00 0.00 O ATOM 0 H GLU A 65 -2.749 -13.365 2.830 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.832 -14.374 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.075 -16.262 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.801 -15.478 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.725 -14.795 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.922 -14.961 -0.299 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.394 -12.716 -0.186 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.936 -12.081 -1.375 1.00 0.00 C ATOM 1006 C GLU A 66 -2.913 -11.113 -1.973 1.00 0.00 C ATOM 1007 O GLU A 66 -2.887 -10.901 -3.184 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.252 -11.364 -1.062 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.247 -12.313 -0.391 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.054 -13.088 -1.435 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.450 -12.450 -2.434 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -7.256 -14.301 -1.209 1.00 0.00 O ATOM 0 H GLU A 66 -3.885 -12.491 0.679 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.148 -12.855 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.060 -10.512 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.684 -10.970 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.712 -13.011 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.923 -11.745 0.248 1.00 0.00 H new ATOM 1019 N VAL A 67 -2.095 -10.551 -1.095 1.00 0.00 N ATOM 1020 CA VAL A 67 -1.072 -9.610 -1.521 1.00 0.00 C ATOM 1021 C VAL A 67 0.154 -10.384 -2.010 1.00 0.00 C ATOM 1022 O VAL A 67 0.871 -9.921 -2.896 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.751 -8.637 -0.385 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.368 -7.674 -0.788 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -2.001 -7.873 0.053 1.00 0.00 C ATOM 0 H VAL A 67 -2.120 -10.729 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.430 -9.007 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.401 -9.220 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.577 -6.993 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.268 -8.241 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.058 -7.101 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.744 -7.188 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.395 -7.307 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.755 -8.579 0.401 1.00 0.00 H new ATOM 1035 N LYS A 68 0.356 -11.549 -1.413 1.00 0.00 N ATOM 1036 CA LYS A 68 1.483 -12.391 -1.777 1.00 0.00 C ATOM 1037 C LYS A 68 1.252 -12.967 -3.176 1.00 0.00 C ATOM 1038 O LYS A 68 2.121 -12.873 -4.041 1.00 0.00 O ATOM 1039 CB LYS A 68 1.725 -13.456 -0.706 1.00 0.00 C ATOM 1040 CG LYS A 68 2.895 -14.364 -1.089 1.00 0.00 C ATOM 1041 CD LYS A 68 3.617 -14.883 0.156 1.00 0.00 C ATOM 1042 CE LYS A 68 4.926 -15.581 -0.220 1.00 0.00 C ATOM 1043 NZ LYS A 68 4.651 -16.845 -0.938 1.00 0.00 N ATOM 0 H LYS A 68 -0.242 -11.930 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 68 2.400 -11.803 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.931 -12.975 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.824 -14.055 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.530 -15.205 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.596 -13.814 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.824 -14.054 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.971 -15.578 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.529 -14.924 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.507 -15.786 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.549 -17.323 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.066 -17.463 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.145 -16.639 -1.823 1.00 0.00 H new ATOM 1057 N GLU A 69 0.076 -13.551 -3.354 1.00 0.00 N ATOM 1058 CA GLU A 69 -0.279 -14.142 -4.632 1.00 0.00 C ATOM 1059 C GLU A 69 -0.089 -13.125 -5.759 1.00 0.00 C ATOM 1060 O GLU A 69 0.483 -13.446 -6.800 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.714 -14.674 -4.610 1.00 0.00 C ATOM 1062 CG GLU A 69 -2.713 -13.569 -4.962 1.00 0.00 C ATOM 1063 CD GLU A 69 -4.147 -14.102 -4.945 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -4.499 -14.817 -5.908 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -4.860 -13.782 -3.969 1.00 0.00 O ATOM 0 H GLU A 69 -0.643 -13.627 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 69 0.385 -14.987 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.812 -15.497 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.942 -15.075 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.618 -12.748 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.483 -13.166 -5.948 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.578 -11.919 -5.513 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.469 -10.853 -6.494 1.00 0.00 C ATOM 1074 C ALA A 70 0.915 -10.207 -6.387 1.00 0.00 C ATOM 1075 O ALA A 70 1.183 -9.195 -7.032 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.600 -9.845 -6.282 1.00 0.00 C ATOM 0 H ALA A 70 -1.051 -11.656 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.571 -11.250 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.518 -9.046 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.561 -10.347 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.529 -9.424 -5.279 1.00 0.00 H new ATOM 1082 N ASN A 71 1.756 -10.820 -5.568 1.00 0.00 N ATOM 1083 CA ASN A 71 3.105 -10.317 -5.368 1.00 0.00 C ATOM 1084 C ASN A 71 3.074 -8.788 -5.325 1.00 0.00 C ATOM 1085 O ASN A 71 3.567 -8.128 -6.238 1.00 0.00 O ATOM 1086 CB ASN A 71 4.026 -10.739 -6.515 1.00 0.00 C ATOM 1087 CG ASN A 71 5.484 -10.793 -6.056 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.168 -9.678 -6.293 1.00 0.00 O flip ATOM 1089 ND2 ASN A 71 5.957 -11.783 -5.521 1.00 0.00 N flip ATOM 0 H ASN A 71 1.530 -11.660 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 71 3.483 -10.728 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.722 -11.717 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.927 -10.037 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.376 -12.607 -5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.934 -11.786 -5.226 1.00 0.00 H new ATOM 1096 N ILE A 72 2.489 -8.270 -4.255 1.00 0.00 N ATOM 1097 CA ILE A 72 2.388 -6.831 -4.081 1.00 0.00 C ATOM 1098 C ILE A 72 3.256 -6.402 -2.897 1.00 0.00 C ATOM 1099 O ILE A 72 2.986 -6.777 -1.757 1.00 0.00 O ATOM 1100 CB ILE A 72 0.923 -6.409 -3.955 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.095 -6.940 -5.127 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.800 -4.891 -3.809 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.403 -6.809 -4.845 1.00 0.00 C ATOM 0 H ILE A 72 2.080 -8.821 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 72 2.771 -6.313 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 72 0.517 -6.855 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.347 -6.390 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.344 -7.985 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.252 -4.618 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.335 -4.567 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.229 -4.405 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.968 -7.194 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.656 -7.380 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.653 -5.760 -4.688 1.00 0.00 H new ATOM 1115 N ARG A 73 4.281 -5.621 -3.207 1.00 0.00 N ATOM 1116 CA ARG A 73 5.190 -5.137 -2.183 1.00 0.00 C ATOM 1117 C ARG A 73 4.406 -4.486 -1.042 1.00 0.00 C ATOM 1118 O ARG A 73 3.604 -3.582 -1.272 1.00 0.00 O ATOM 1119 CB ARG A 73 6.178 -4.121 -2.759 1.00 0.00 C ATOM 1120 CG ARG A 73 5.510 -2.759 -2.959 1.00 0.00 C ATOM 1121 CD ARG A 73 6.350 -1.866 -3.874 1.00 0.00 C ATOM 1122 NE ARG A 73 5.562 -1.477 -5.065 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.101 -1.139 -6.244 1.00 0.00 C ATOM 1124 NH1 ARG A 73 7.432 -1.139 -6.398 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.308 -0.800 -7.270 1.00 0.00 N ATOM 0 H ARG A 73 4.502 -5.312 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 73 5.747 -5.993 -1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.031 -4.017 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.564 -4.484 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.518 -2.896 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.374 -2.271 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.670 -0.976 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.253 -2.394 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 73 4.545 -1.466 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.036 -1.397 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.841 -0.882 -7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.295 -0.799 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.718 -0.543 -8.168 1.00 0.00 H new ATOM 1139 N VAL A 74 4.665 -4.970 0.164 1.00 0.00 N ATOM 1140 CA VAL A 74 3.993 -4.446 1.341 1.00 0.00 C ATOM 1141 C VAL A 74 4.900 -3.421 2.026 1.00 0.00 C ATOM 1142 O VAL A 74 6.081 -3.683 2.249 1.00 0.00 O ATOM 1143 CB VAL A 74 3.584 -5.595 2.265 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.665 -5.099 3.383 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.925 -6.727 1.474 1.00 0.00 C ATOM 0 H VAL A 74 5.331 -5.719 0.351 1.00 0.00 H new ATOM 0 HA VAL A 74 3.075 -3.931 1.060 1.00 0.00 H new ATOM 0 HB VAL A 74 4.488 -5.992 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.389 -5.935 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.185 -4.344 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.765 -4.663 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.644 -7.531 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.035 -6.349 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.626 -7.108 0.732 1.00 0.00 H new ATOM 1155 N VAL A 75 4.312 -2.276 2.341 1.00 0.00 N ATOM 1156 CA VAL A 75 5.052 -1.211 2.997 1.00 0.00 C ATOM 1157 C VAL A 75 4.320 -0.800 4.276 1.00 0.00 C ATOM 1158 O VAL A 75 3.246 -1.320 4.575 1.00 0.00 O ATOM 1159 CB VAL A 75 5.261 -0.046 2.027 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.108 -0.476 0.828 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.921 0.535 1.571 1.00 0.00 C ATOM 0 H VAL A 75 3.332 -2.063 2.154 1.00 0.00 H new ATOM 0 HA VAL A 75 6.044 -1.557 3.287 1.00 0.00 H new ATOM 0 HB VAL A 75 5.803 0.737 2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.241 0.371 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.082 -0.820 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.605 -1.285 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.098 1.361 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.341 -0.239 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.368 0.897 2.438 1.00 0.00 H new ATOM 1171 N SER A 76 4.931 0.128 4.997 1.00 0.00 N ATOM 1172 CA SER A 76 4.352 0.615 6.237 1.00 0.00 C ATOM 1173 C SER A 76 3.597 1.921 5.985 1.00 0.00 C ATOM 1174 O SER A 76 3.555 2.410 4.857 1.00 0.00 O ATOM 1175 CB SER A 76 5.428 0.822 7.304 1.00 0.00 C ATOM 1176 OG SER A 76 4.879 0.843 8.619 1.00 0.00 O ATOM 0 H SER A 76 5.822 0.556 4.746 1.00 0.00 H new ATOM 0 HA SER A 76 3.653 -0.136 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.167 0.024 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.951 1.759 7.114 1.00 0.00 H new ATOM 0 HG SER A 76 5.182 1.649 9.087 1.00 0.00 H new ATOM 1182 N GLU A 77 3.019 2.449 7.054 1.00 0.00 N ATOM 1183 CA GLU A 77 2.267 3.690 6.962 1.00 0.00 C ATOM 1184 C GLU A 77 3.220 4.879 6.828 1.00 0.00 C ATOM 1185 O GLU A 77 2.821 5.951 6.375 1.00 0.00 O ATOM 1186 CB GLU A 77 1.343 3.861 8.170 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.025 4.396 7.742 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.504 5.498 8.690 1.00 0.00 C ATOM 1189 OE1 GLU A 77 0.368 6.257 9.164 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.732 5.555 8.918 1.00 0.00 O ATOM 0 H GLU A 77 3.056 2.041 7.988 1.00 0.00 H new ATOM 0 HA GLU A 77 1.642 3.649 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.221 2.904 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.798 4.546 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.035 4.786 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.750 3.582 7.729 1.00 0.00 H new ATOM 1197 N ASP A 78 4.462 4.649 7.229 1.00 0.00 N ATOM 1198 CA ASP A 78 5.475 5.689 7.159 1.00 0.00 C ATOM 1199 C ASP A 78 5.727 6.051 5.694 1.00 0.00 C ATOM 1200 O ASP A 78 6.227 7.135 5.396 1.00 0.00 O ATOM 1201 CB ASP A 78 6.797 5.211 7.762 1.00 0.00 C ATOM 1202 CG ASP A 78 6.660 4.340 9.012 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.285 3.160 8.844 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.934 4.874 10.109 1.00 0.00 O ATOM 0 H ASP A 78 4.790 3.758 7.603 1.00 0.00 H new ATOM 0 HA ASP A 78 5.113 6.551 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.343 4.649 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.402 6.083 8.010 1.00 0.00 H new ATOM 1209 N PHE A 79 5.371 5.123 4.818 1.00 0.00 N ATOM 1210 CA PHE A 79 5.552 5.331 3.392 1.00 0.00 C ATOM 1211 C PHE A 79 4.765 6.551 2.911 1.00 0.00 C ATOM 1212 O PHE A 79 5.295 7.390 2.184 1.00 0.00 O ATOM 1213 CB PHE A 79 5.017 4.083 2.686 1.00 0.00 C ATOM 1214 CG PHE A 79 4.677 4.301 1.210 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.674 4.404 0.291 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.378 4.390 0.817 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.359 4.606 -1.079 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.063 4.592 -0.552 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.060 4.696 -1.472 1.00 0.00 C ATOM 0 H PHE A 79 4.958 4.225 5.069 1.00 0.00 H new ATOM 0 HA PHE A 79 6.606 5.503 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.759 3.288 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.124 3.738 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.705 4.332 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.586 4.307 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.151 4.688 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.031 4.663 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.820 4.850 -2.514 1.00 0.00 H new ATOM 1229 N LEU A 80 3.511 6.612 3.336 1.00 0.00 N ATOM 1230 CA LEU A 80 2.645 7.716 2.958 1.00 0.00 C ATOM 1231 C LEU A 80 3.234 9.025 3.488 1.00 0.00 C ATOM 1232 O LEU A 80 3.216 10.042 2.797 1.00 0.00 O ATOM 1233 CB LEU A 80 1.211 7.455 3.421 1.00 0.00 C ATOM 1234 CG LEU A 80 0.437 6.390 2.641 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.821 5.961 3.398 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.117 6.872 1.225 1.00 0.00 C ATOM 0 H LEU A 80 3.074 5.914 3.939 1.00 0.00 H new ATOM 0 HA LEU A 80 2.593 7.805 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.237 7.161 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.656 8.392 3.366 1.00 0.00 H new ATOM 0 HG LEU A 80 1.071 5.509 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.352 5.204 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.540 5.548 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.469 6.825 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.433 6.096 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.489 7.776 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.045 7.087 0.695 1.00 0.00 H new ATOM 1248 N GLN A 81 3.742 8.956 4.710 1.00 0.00 N ATOM 1249 CA GLN A 81 4.335 10.123 5.341 1.00 0.00 C ATOM 1250 C GLN A 81 5.599 10.547 4.590 1.00 0.00 C ATOM 1251 O GLN A 81 6.061 11.678 4.735 1.00 0.00 O ATOM 1252 CB GLN A 81 4.638 9.854 6.816 1.00 0.00 C ATOM 1253 CG GLN A 81 5.666 10.851 7.355 1.00 0.00 C ATOM 1254 CD GLN A 81 5.094 12.270 7.378 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.696 12.823 6.366 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.076 12.827 8.585 1.00 0.00 N ATOM 0 H GLN A 81 3.755 8.110 5.280 1.00 0.00 H new ATOM 0 HA GLN A 81 3.617 10.941 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.719 9.923 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.015 8.838 6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.967 10.560 8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.562 10.826 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.425 12.308 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.714 13.773 8.705 1.00 0.00 H new ATOM 1265 N ASP A 82 6.122 9.618 3.804 1.00 0.00 N ATOM 1266 CA ASP A 82 7.324 9.881 3.031 1.00 0.00 C ATOM 1267 C ASP A 82 6.931 10.269 1.604 1.00 0.00 C ATOM 1268 O ASP A 82 7.380 11.292 1.089 1.00 0.00 O ATOM 1269 CB ASP A 82 8.214 8.639 2.955 1.00 0.00 C ATOM 1270 CG ASP A 82 9.422 8.651 3.894 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.187 8.660 5.121 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.553 8.651 3.362 1.00 0.00 O ATOM 0 H ASP A 82 5.735 8.682 3.686 1.00 0.00 H new ATOM 0 HA ASP A 82 7.871 10.686 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.607 7.761 3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.570 8.528 1.931 1.00 0.00 H new ATOM 1277 N VAL A 83 6.098 9.431 1.005 1.00 0.00 N ATOM 1278 CA VAL A 83 5.640 9.674 -0.353 1.00 0.00 C ATOM 1279 C VAL A 83 5.102 11.102 -0.458 1.00 0.00 C ATOM 1280 O VAL A 83 5.244 11.748 -1.495 1.00 0.00 O ATOM 1281 CB VAL A 83 4.610 8.616 -0.755 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.187 9.163 -0.630 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.878 8.100 -2.170 1.00 0.00 C ATOM 0 H VAL A 83 5.728 8.583 1.435 1.00 0.00 H new ATOM 0 HA VAL A 83 6.468 9.586 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 83 4.707 7.775 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.474 8.392 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.000 9.459 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.072 10.029 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.132 7.349 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.822 8.928 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.872 7.654 -2.213 1.00 0.00 H new ATOM 1293 N SER A 84 4.496 11.554 0.631 1.00 0.00 N ATOM 1294 CA SER A 84 3.937 12.894 0.675 1.00 0.00 C ATOM 1295 C SER A 84 5.014 13.897 1.091 1.00 0.00 C ATOM 1296 O SER A 84 4.912 15.085 0.786 1.00 0.00 O ATOM 1297 CB SER A 84 2.747 12.963 1.635 1.00 0.00 C ATOM 1298 OG SER A 84 1.880 14.052 1.332 1.00 0.00 O ATOM 0 H SER A 84 4.380 11.015 1.489 1.00 0.00 H new ATOM 0 HA SER A 84 3.579 13.148 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.187 12.029 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.111 13.063 2.657 1.00 0.00 H new ATOM 0 HG SER A 84 2.412 14.823 1.042 1.00 0.00 H new ATOM 1304 N ALA A 85 6.021 13.384 1.781 1.00 0.00 N ATOM 1305 CA ALA A 85 7.116 14.220 2.242 1.00 0.00 C ATOM 1306 C ALA A 85 8.445 13.525 1.940 1.00 0.00 C ATOM 1307 O ALA A 85 9.182 13.163 2.856 1.00 0.00 O ATOM 1308 CB ALA A 85 6.939 14.518 3.732 1.00 0.00 C ATOM 0 H ALA A 85 6.102 12.399 2.032 1.00 0.00 H new ATOM 0 HA ALA A 85 7.117 15.175 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.761 15.145 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.994 15.038 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.936 13.583 4.292 1.00 0.00 H new ATOM 1314 N SER A 86 8.711 13.360 0.653 1.00 0.00 N ATOM 1315 CA SER A 86 9.939 12.715 0.219 1.00 0.00 C ATOM 1316 C SER A 86 9.993 12.667 -1.309 1.00 0.00 C ATOM 1317 O SER A 86 9.161 12.021 -1.944 1.00 0.00 O ATOM 1318 CB SER A 86 10.053 11.303 0.799 1.00 0.00 C ATOM 1319 OG SER A 86 11.410 10.926 1.021 1.00 0.00 O ATOM 0 H SER A 86 8.097 13.662 -0.104 1.00 0.00 H new ATOM 0 HA SER A 86 10.782 13.300 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.504 11.252 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.586 10.592 0.118 1.00 0.00 H new ATOM 0 HG SER A 86 11.441 10.020 1.393 1.00 0.00 H new ATOM 1325 N THR A 87 10.982 13.360 -1.856 1.00 0.00 N ATOM 1326 CA THR A 87 11.156 13.405 -3.298 1.00 0.00 C ATOM 1327 C THR A 87 12.064 12.264 -3.761 1.00 0.00 C ATOM 1328 O THR A 87 12.944 12.466 -4.596 1.00 0.00 O ATOM 1329 CB THR A 87 11.686 14.791 -3.667 1.00 0.00 C ATOM 1330 OG1 THR A 87 11.548 14.850 -5.084 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.193 14.923 -3.434 1.00 0.00 C ATOM 0 H THR A 87 11.671 13.895 -1.326 1.00 0.00 H new ATOM 0 HA THR A 87 10.209 13.255 -3.816 1.00 0.00 H new ATOM 0 HB THR A 87 11.161 15.547 -3.084 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.076 14.134 -5.494 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.518 15.926 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.415 14.748 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.721 14.189 -4.043 1.00 0.00 H new ATOM 1339 N LYS A 88 11.818 11.089 -3.199 1.00 0.00 N ATOM 1340 CA LYS A 88 12.602 9.916 -3.544 1.00 0.00 C ATOM 1341 C LYS A 88 11.791 9.025 -4.488 1.00 0.00 C ATOM 1342 O LYS A 88 10.565 9.108 -4.524 1.00 0.00 O ATOM 1343 CB LYS A 88 13.078 9.198 -2.280 1.00 0.00 C ATOM 1344 CG LYS A 88 14.003 10.096 -1.455 1.00 0.00 C ATOM 1345 CD LYS A 88 15.459 9.645 -1.580 1.00 0.00 C ATOM 1346 CE LYS A 88 15.972 9.076 -0.256 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.313 8.476 -0.434 1.00 0.00 N ATOM 0 H LYS A 88 11.087 10.925 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 88 13.507 10.207 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.218 8.905 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.603 8.282 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.908 11.128 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.700 10.073 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.544 8.890 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.080 10.488 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.017 9.867 0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.277 8.323 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.646 8.095 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.260 7.708 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.977 9.203 -0.769 1.00 0.00 H new ATOM 1361 N SER A 89 12.510 8.194 -5.229 1.00 0.00 N ATOM 1362 CA SER A 89 11.872 7.289 -6.170 1.00 0.00 C ATOM 1363 C SER A 89 10.998 6.283 -5.419 1.00 0.00 C ATOM 1364 O SER A 89 11.434 5.692 -4.432 1.00 0.00 O ATOM 1365 CB SER A 89 12.912 6.557 -7.021 1.00 0.00 C ATOM 1366 OG SER A 89 14.040 7.379 -7.309 1.00 0.00 O ATOM 0 H SER A 89 13.527 8.129 -5.197 1.00 0.00 H new ATOM 0 HA SER A 89 11.244 7.878 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.242 5.659 -6.498 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.453 6.232 -7.954 1.00 0.00 H new ATOM 0 HG SER A 89 14.682 6.875 -7.852 1.00 0.00 H new ATOM 1372 N LEU A 90 9.780 6.120 -5.915 1.00 0.00 N ATOM 1373 CA LEU A 90 8.841 5.196 -5.302 1.00 0.00 C ATOM 1374 C LEU A 90 9.585 3.931 -4.869 1.00 0.00 C ATOM 1375 O LEU A 90 9.580 3.576 -3.692 1.00 0.00 O ATOM 1376 CB LEU A 90 7.665 4.925 -6.243 1.00 0.00 C ATOM 1377 CG LEU A 90 6.449 5.839 -6.076 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.955 5.835 -4.628 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.753 7.253 -6.574 1.00 0.00 C ATOM 0 H LEU A 90 9.422 6.612 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 90 8.407 5.635 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.020 5.010 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.342 3.894 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 90 5.640 5.448 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.090 6.492 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.672 4.822 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.750 6.188 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.872 7.882 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.583 7.669 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.020 7.217 -7.630 1.00 0.00 H new ATOM 1391 N GLN A 91 10.207 3.286 -5.845 1.00 0.00 N ATOM 1392 CA GLN A 91 10.954 2.068 -5.580 1.00 0.00 C ATOM 1393 C GLN A 91 11.716 2.190 -4.259 1.00 0.00 C ATOM 1394 O GLN A 91 11.491 1.411 -3.334 1.00 0.00 O ATOM 1395 CB GLN A 91 11.906 1.746 -6.734 1.00 0.00 C ATOM 1396 CG GLN A 91 11.530 0.421 -7.401 1.00 0.00 C ATOM 1397 CD GLN A 91 12.778 -0.336 -7.857 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.560 0.135 -8.667 1.00 0.00 O ATOM 1399 NE2 GLN A 91 12.921 -1.533 -7.295 1.00 0.00 N ATOM 0 H GLN A 91 10.209 3.584 -6.821 1.00 0.00 H new ATOM 0 HA GLN A 91 10.247 1.243 -5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.876 2.549 -7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.929 1.693 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.962 -0.194 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.883 0.611 -8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.229 -1.867 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.722 -2.117 -7.535 1.00 0.00 H new ATOM 1408 N GLU A 92 12.602 3.174 -4.212 1.00 0.00 N ATOM 1409 CA GLU A 92 13.399 3.409 -3.020 1.00 0.00 C ATOM 1410 C GLU A 92 12.492 3.567 -1.798 1.00 0.00 C ATOM 1411 O GLU A 92 12.726 2.947 -0.762 1.00 0.00 O ATOM 1412 CB GLU A 92 14.301 4.632 -3.195 1.00 0.00 C ATOM 1413 CG GLU A 92 15.300 4.418 -4.334 1.00 0.00 C ATOM 1414 CD GLU A 92 16.668 3.999 -3.792 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.704 2.983 -3.064 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.648 4.703 -4.117 1.00 0.00 O ATOM 0 H GLU A 92 12.786 3.818 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 92 14.043 2.544 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.691 5.511 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.838 4.828 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.924 3.653 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.400 5.336 -4.912 1.00 0.00 H new ATOM 1423 N LEU A 93 11.475 4.401 -1.960 1.00 0.00 N ATOM 1424 CA LEU A 93 10.532 4.649 -0.883 1.00 0.00 C ATOM 1425 C LEU A 93 10.000 3.313 -0.359 1.00 0.00 C ATOM 1426 O LEU A 93 10.003 3.071 0.847 1.00 0.00 O ATOM 1427 CB LEU A 93 9.433 5.610 -1.344 1.00 0.00 C ATOM 1428 CG LEU A 93 9.823 7.087 -1.418 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.616 7.954 -1.784 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.485 7.546 -0.117 1.00 0.00 C ATOM 0 H LEU A 93 11.284 4.913 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 93 11.028 5.145 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.092 5.295 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.584 5.512 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 93 10.559 7.207 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.920 9.000 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.228 7.646 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.840 7.835 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.752 8.600 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.791 7.409 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.384 6.956 0.062 1.00 0.00 H new ATOM 1442 N PHE A 94 9.557 2.483 -1.291 1.00 0.00 N ATOM 1443 CA PHE A 94 9.024 1.178 -0.938 1.00 0.00 C ATOM 1444 C PHE A 94 10.043 0.369 -0.133 1.00 0.00 C ATOM 1445 O PHE A 94 9.735 -0.117 0.955 1.00 0.00 O ATOM 1446 CB PHE A 94 8.730 0.445 -2.248 1.00 0.00 C ATOM 1447 CG PHE A 94 7.731 1.168 -3.154 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.785 1.981 -2.612 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.788 0.997 -4.502 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.858 2.651 -3.453 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.861 1.667 -5.343 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.915 2.480 -4.801 1.00 0.00 C ATOM 0 H PHE A 94 9.556 2.688 -2.290 1.00 0.00 H new ATOM 0 HA PHE A 94 8.129 1.295 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.664 0.306 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.344 -0.548 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.739 2.117 -1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.539 0.351 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.107 3.297 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.907 1.531 -6.413 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.210 2.989 -5.441 1.00 0.00 H new ATOM 1462 N LEU A 95 11.235 0.248 -0.698 1.00 0.00 N ATOM 1463 CA LEU A 95 12.301 -0.493 -0.046 1.00 0.00 C ATOM 1464 C LEU A 95 12.602 0.142 1.312 1.00 0.00 C ATOM 1465 O LEU A 95 12.757 -0.560 2.310 1.00 0.00 O ATOM 1466 CB LEU A 95 13.522 -0.593 -0.963 1.00 0.00 C ATOM 1467 CG LEU A 95 13.433 -1.626 -2.088 1.00 0.00 C ATOM 1468 CD1 LEU A 95 12.432 -1.187 -3.158 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.815 -1.913 -2.679 1.00 0.00 C ATOM 0 H LEU A 95 11.486 0.651 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 95 11.989 -1.520 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.698 0.386 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.393 -0.826 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 95 13.063 -2.560 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.388 -1.939 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.445 -1.074 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.748 -0.234 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.724 -2.650 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.236 -0.992 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.471 -2.301 -1.899 1.00 0.00 H new ATOM 1481 N ALA A 96 12.677 1.465 1.307 1.00 0.00 N ATOM 1482 CA ALA A 96 12.957 2.204 2.527 1.00 0.00 C ATOM 1483 C ALA A 96 11.804 2.006 3.514 1.00 0.00 C ATOM 1484 O ALA A 96 11.928 2.335 4.692 1.00 0.00 O ATOM 1485 CB ALA A 96 13.189 3.678 2.190 1.00 0.00 C ATOM 0 H ALA A 96 12.549 2.044 0.477 1.00 0.00 H new ATOM 0 HA ALA A 96 13.865 1.832 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.399 4.232 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.036 3.767 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.298 4.087 1.715 1.00 0.00 H new ATOM 1491 N HIS A 97 10.709 1.471 2.995 1.00 0.00 N ATOM 1492 CA HIS A 97 9.535 1.226 3.816 1.00 0.00 C ATOM 1493 C HIS A 97 8.878 -0.090 3.393 1.00 0.00 C ATOM 1494 O HIS A 97 7.656 -0.170 3.277 1.00 0.00 O ATOM 1495 CB HIS A 97 8.573 2.414 3.756 1.00 0.00 C ATOM 1496 CG HIS A 97 9.206 3.735 4.121 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.394 4.141 5.430 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.692 4.738 3.334 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.967 5.335 5.421 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.151 5.703 4.120 1.00 0.00 N ATOM 0 H HIS A 97 10.610 1.200 2.017 1.00 0.00 H new ATOM 0 HA HIS A 97 9.832 1.125 4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.162 2.485 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.736 2.225 4.429 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.135 3.610 6.262 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.701 4.745 2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.240 5.915 6.290 1.00 0.00 H new ATOM 1508 N ILE A 98 9.720 -1.090 3.174 1.00 0.00 N ATOM 1509 CA ILE A 98 9.237 -2.399 2.766 1.00 0.00 C ATOM 1510 C ILE A 98 9.125 -3.302 3.996 1.00 0.00 C ATOM 1511 O ILE A 98 10.110 -3.525 4.698 1.00 0.00 O ATOM 1512 CB ILE A 98 10.121 -2.975 1.658 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.449 -4.176 0.990 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.513 -3.319 2.191 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.014 -3.837 -0.437 1.00 0.00 C ATOM 0 H ILE A 98 10.733 -1.020 3.271 1.00 0.00 H new ATOM 0 HA ILE A 98 8.239 -2.320 2.336 1.00 0.00 H new ATOM 0 HB ILE A 98 10.250 -2.211 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.138 -5.020 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.582 -4.484 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.121 -3.727 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.986 -2.418 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.425 -4.058 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.539 -4.708 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.306 -3.008 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.886 -3.553 -1.026 1.00 0.00 H new ATOM 1527 N LEU A 99 7.917 -3.798 4.219 1.00 0.00 N ATOM 1528 CA LEU A 99 7.664 -4.672 5.352 1.00 0.00 C ATOM 1529 C LEU A 99 7.712 -6.128 4.887 1.00 0.00 C ATOM 1530 O LEU A 99 7.861 -7.039 5.701 1.00 0.00 O ATOM 1531 CB LEU A 99 6.352 -4.289 6.041 1.00 0.00 C ATOM 1532 CG LEU A 99 6.310 -2.898 6.678 1.00 0.00 C ATOM 1533 CD1 LEU A 99 5.052 -2.724 7.531 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.586 -2.622 7.476 1.00 0.00 C ATOM 0 H LEU A 99 7.102 -3.611 3.634 1.00 0.00 H new ATOM 0 HA LEU A 99 8.441 -4.552 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.547 -4.356 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.142 -5.028 6.815 1.00 0.00 H new ATOM 0 HG LEU A 99 6.263 -2.158 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.047 -1.727 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.168 -2.849 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.044 -3.472 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.531 -1.627 7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.689 -3.365 8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.449 -2.676 6.812 1.00 0.00 H new ATOM 1546 N SER A 100 7.583 -6.304 3.580 1.00 0.00 N ATOM 1547 CA SER A 100 7.610 -7.635 2.997 1.00 0.00 C ATOM 1548 C SER A 100 8.905 -7.834 2.209 1.00 0.00 C ATOM 1549 O SER A 100 9.669 -6.890 2.013 1.00 0.00 O ATOM 1550 CB SER A 100 6.397 -7.865 2.093 1.00 0.00 C ATOM 1551 OG SER A 100 6.392 -6.983 0.973 1.00 0.00 O ATOM 0 H SER A 100 7.459 -5.547 2.908 1.00 0.00 H new ATOM 0 HA SER A 100 7.569 -8.364 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.397 -8.897 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.483 -7.724 2.670 1.00 0.00 H new ATOM 0 HG SER A 100 5.936 -7.413 0.220 1.00 0.00 H new ATOM 1557 N SER A 101 9.114 -9.070 1.777 1.00 0.00 N ATOM 1558 CA SER A 101 10.304 -9.405 1.014 1.00 0.00 C ATOM 1559 C SER A 101 9.942 -9.603 -0.459 1.00 0.00 C ATOM 1560 O SER A 101 10.824 -9.692 -1.312 1.00 0.00 O ATOM 1561 CB SER A 101 10.977 -10.663 1.568 1.00 0.00 C ATOM 1562 OG SER A 101 12.315 -10.410 1.989 1.00 0.00 O ATOM 0 H SER A 101 8.479 -9.851 1.941 1.00 0.00 H new ATOM 0 HA SER A 101 11.010 -8.579 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.398 -11.044 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.978 -11.440 0.804 1.00 0.00 H new ATOM 0 HG SER A 101 12.710 -11.236 2.338 1.00 0.00 H new ATOM 1568 N TRP A 102 8.643 -9.665 -0.714 1.00 0.00 N ATOM 1569 CA TRP A 102 8.154 -9.850 -2.070 1.00 0.00 C ATOM 1570 C TRP A 102 7.719 -8.485 -2.606 1.00 0.00 C ATOM 1571 O TRP A 102 8.041 -7.452 -2.020 1.00 0.00 O ATOM 1572 CB TRP A 102 7.036 -10.893 -2.112 1.00 0.00 C ATOM 1573 CG TRP A 102 5.701 -10.398 -1.551 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.747 -9.704 -2.186 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.209 -10.588 -0.208 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.680 -9.434 -1.354 1.00 0.00 N ATOM 1577 CE2 TRP A 102 3.970 -9.989 -0.113 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.792 -11.244 0.890 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.208 -9.986 1.062 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.018 -11.232 2.057 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.769 -10.634 2.169 1.00 0.00 C ATOM 0 H TRP A 102 7.914 -9.590 -0.004 1.00 0.00 H new ATOM 0 HA TRP A 102 8.941 -10.242 -2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 102 6.889 -11.211 -3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.351 -11.772 -1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.806 -9.395 -3.219 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.834 -8.922 -1.604 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.760 -11.720 0.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.240 -9.510 1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.420 -11.722 2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.233 -10.669 3.106 1.00 0.00 H new ATOM 1592 N GLY A 103 6.993 -8.524 -3.713 1.00 0.00 N ATOM 1593 CA GLY A 103 6.510 -7.302 -4.335 1.00 0.00 C ATOM 1594 C GLY A 103 7.283 -6.998 -5.619 1.00 0.00 C ATOM 1595 O GLY A 103 6.811 -7.290 -6.717 1.00 0.00 O ATOM 0 H GLY A 103 6.727 -9.382 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.448 -7.400 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.613 -6.470 -3.639 1.00 0.00 H new ATOM 1599 N ALA A 104 8.459 -6.414 -5.440 1.00 0.00 N ATOM 1600 CA ALA A 104 9.302 -6.066 -6.571 1.00 0.00 C ATOM 1601 C ALA A 104 8.546 -5.105 -7.489 1.00 0.00 C ATOM 1602 O ALA A 104 7.316 -5.074 -7.484 1.00 0.00 O ATOM 1603 CB ALA A 104 9.738 -7.342 -7.294 1.00 0.00 C ATOM 0 H ALA A 104 8.848 -6.173 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 104 10.205 -5.557 -6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.370 -7.081 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.297 -7.977 -6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.858 -7.878 -7.649 1.00 0.00 H new ATOM 1609 N GLU A 105 9.312 -4.343 -8.256 1.00 0.00 N ATOM 1610 CA GLU A 105 8.729 -3.383 -9.178 1.00 0.00 C ATOM 1611 C GLU A 105 7.553 -4.012 -9.926 1.00 0.00 C ATOM 1612 O GLU A 105 7.679 -5.100 -10.487 1.00 0.00 O ATOM 1613 CB GLU A 105 9.781 -2.854 -10.155 1.00 0.00 C ATOM 1614 CG GLU A 105 10.234 -3.952 -11.120 1.00 0.00 C ATOM 1615 CD GLU A 105 11.461 -3.507 -11.919 1.00 0.00 C ATOM 1616 OE1 GLU A 105 12.529 -3.363 -11.286 1.00 0.00 O ATOM 1617 OE2 GLU A 105 11.303 -3.322 -13.145 1.00 0.00 O ATOM 0 H GLU A 105 10.332 -4.371 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 105 8.356 -2.536 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.370 -2.016 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.640 -2.475 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.468 -4.858 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.421 -4.199 -11.803 1.00 0.00 H new ATOM 1624 N VAL A 106 6.434 -3.302 -9.910 1.00 0.00 N ATOM 1625 CA VAL A 106 5.236 -3.777 -10.580 1.00 0.00 C ATOM 1626 C VAL A 106 4.184 -2.666 -10.584 1.00 0.00 C ATOM 1627 O VAL A 106 3.848 -2.120 -9.534 1.00 0.00 O ATOM 1628 CB VAL A 106 4.742 -5.065 -9.917 1.00 0.00 C ATOM 1629 CG1 VAL A 106 4.364 -4.819 -8.455 1.00 0.00 C ATOM 1630 CG2 VAL A 106 3.569 -5.666 -10.694 1.00 0.00 C ATOM 0 H VAL A 106 6.332 -2.401 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 106 5.452 -4.024 -11.619 1.00 0.00 H new ATOM 0 HB VAL A 106 5.559 -5.786 -9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.016 -5.750 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.236 -4.458 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.570 -4.074 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.237 -6.580 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.747 -4.951 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.886 -5.896 -11.711 1.00 0.00 H new ATOM 1640 N LYS A 107 3.694 -2.363 -11.777 1.00 0.00 N ATOM 1641 CA LYS A 107 2.687 -1.327 -11.931 1.00 0.00 C ATOM 1642 C LYS A 107 1.535 -1.864 -12.782 1.00 0.00 C ATOM 1643 O LYS A 107 1.624 -1.890 -14.009 1.00 0.00 O ATOM 1644 CB LYS A 107 3.316 -0.047 -12.486 1.00 0.00 C ATOM 1645 CG LYS A 107 2.663 1.194 -11.874 1.00 0.00 C ATOM 1646 CD LYS A 107 3.402 1.635 -10.609 1.00 0.00 C ATOM 1647 CE LYS A 107 4.239 2.888 -10.872 1.00 0.00 C ATOM 1648 NZ LYS A 107 5.354 2.582 -11.797 1.00 0.00 N ATOM 0 H LYS A 107 3.976 -2.817 -12.646 1.00 0.00 H new ATOM 0 HA LYS A 107 2.269 -1.056 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.385 -0.042 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.205 -0.023 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.664 2.006 -12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.621 0.981 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.683 1.834 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.047 0.829 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.610 3.670 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.634 3.273 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.951 3.426 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.924 1.804 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.971 2.301 -12.722 1.00 0.00 H new ATOM 1662 N SER A 108 0.479 -2.280 -12.098 1.00 0.00 N ATOM 1663 CA SER A 108 -0.689 -2.815 -12.775 1.00 0.00 C ATOM 1664 C SER A 108 -1.964 -2.344 -12.072 1.00 0.00 C ATOM 1665 O SER A 108 -2.402 -2.956 -11.099 1.00 0.00 O ATOM 1666 CB SER A 108 -0.645 -4.344 -12.826 1.00 0.00 C ATOM 1667 OG SER A 108 -0.613 -4.920 -11.523 1.00 0.00 O ATOM 0 H SER A 108 0.409 -2.257 -11.081 1.00 0.00 H new ATOM 0 HA SER A 108 -0.689 -2.444 -13.800 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.517 -4.714 -13.365 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.234 -4.663 -13.385 1.00 0.00 H new ATOM 0 HG SER A 108 -1.224 -4.430 -10.934 1.00 0.00 H new ATOM 1673 N GLY A 109 -2.522 -1.261 -12.591 1.00 0.00 N ATOM 1674 CA GLY A 109 -3.738 -0.701 -12.025 1.00 0.00 C ATOM 1675 C GLY A 109 -4.296 0.410 -12.916 1.00 0.00 C ATOM 1676 O GLY A 109 -3.991 1.585 -12.714 1.00 0.00 O ATOM 0 H GLY A 109 -2.155 -0.756 -13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.484 -1.487 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.532 -0.305 -11.030 1.00 0.00 H new ATOM 1680 N PRO A 110 -5.127 -0.011 -13.907 1.00 0.00 N ATOM 1681 CA PRO A 110 -5.731 0.936 -14.829 1.00 0.00 C ATOM 1682 C PRO A 110 -6.868 1.707 -14.157 1.00 0.00 C ATOM 1683 O PRO A 110 -7.943 1.156 -13.923 1.00 0.00 O ATOM 1684 CB PRO A 110 -6.198 0.095 -16.006 1.00 0.00 C ATOM 1685 CG PRO A 110 -6.258 -1.337 -15.498 1.00 0.00 C ATOM 1686 CD PRO A 110 -5.511 -1.393 -14.175 1.00 0.00 C ATOM 0 HA PRO A 110 -5.033 1.706 -15.158 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.175 0.425 -16.359 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.509 0.183 -16.846 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.293 -1.652 -15.366 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.807 -2.018 -16.220 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.143 -1.790 -13.380 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.637 -2.041 -14.241 1.00 0.00 H new ATOM 1694 N SER A 111 -6.593 2.970 -13.866 1.00 0.00 N ATOM 1695 CA SER A 111 -7.580 3.822 -13.225 1.00 0.00 C ATOM 1696 C SER A 111 -7.720 5.134 -13.999 1.00 0.00 C ATOM 1697 O SER A 111 -7.113 6.140 -13.638 1.00 0.00 O ATOM 1698 CB SER A 111 -7.203 4.103 -11.769 1.00 0.00 C ATOM 1699 OG SER A 111 -8.351 4.227 -10.934 1.00 0.00 O ATOM 0 H SER A 111 -5.701 3.424 -14.062 1.00 0.00 H new ATOM 0 HA SER A 111 -8.537 3.300 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.569 3.298 -11.397 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.616 5.020 -11.717 1.00 0.00 H new ATOM 0 HG SER A 111 -8.068 4.404 -10.013 1.00 0.00 H new ATOM 1705 N SER A 112 -8.525 5.080 -15.050 1.00 0.00 N ATOM 1706 CA SER A 112 -8.753 6.251 -15.879 1.00 0.00 C ATOM 1707 C SER A 112 -9.982 6.035 -16.764 1.00 0.00 C ATOM 1708 O SER A 112 -10.940 6.804 -16.701 1.00 0.00 O ATOM 1709 CB SER A 112 -7.528 6.564 -16.740 1.00 0.00 C ATOM 1710 OG SER A 112 -7.116 7.922 -16.610 1.00 0.00 O ATOM 0 H SER A 112 -9.027 4.243 -15.346 1.00 0.00 H new ATOM 0 HA SER A 112 -8.930 7.104 -15.224 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.707 5.907 -16.454 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.756 6.353 -17.785 1.00 0.00 H new ATOM 0 HG SER A 112 -6.330 8.081 -17.174 1.00 0.00 H new ATOM 1716 N GLY A 113 -9.916 4.984 -17.569 1.00 0.00 N ATOM 1717 CA GLY A 113 -11.011 4.657 -18.465 1.00 0.00 C ATOM 1718 C GLY A 113 -11.423 5.875 -19.295 1.00 0.00 C ATOM 1719 O GLY A 113 -12.458 6.486 -19.035 1.00 0.00 O ATOM 0 H GLY A 113 -9.120 4.348 -17.619 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.713 3.845 -19.128 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.864 4.301 -17.888 1.00 0.00 H new TER 1723 GLY A 113