USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 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 13 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0 X(o=0.98,f=0.93) USER MOD Set 1.3: A 86 THR OG1 : rot -50:sc= 0.983 USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= -0.286 F(o=-1.2,f=-0.29) USER MOD Set 2.2: A 32 ASN : amide:sc=0.000715 X(o=-0.29,f=-0.29) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -21:sc= 0.00157 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot -19:sc= 0.863 USER MOD Single : A 66 THR OG1 : rot -165:sc= -1.81! USER MOD Single : A 68 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.026) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.24 K(o=1.2,f=-0.031) USER MOD Single : A 83 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.33) USER MOD Single : A 84 MET CE :methyl 161:sc= -3.7! (180deg=-4.78!) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.15) USER MOD Single : A 87 MET CE :methyl 160:sc= -0.115 (180deg=-0.615) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.773 -6.194 3.088 1.00 0.00 N ATOM 55 CA ASN A 11 13.751 -7.236 2.918 1.00 0.00 C ATOM 56 C ASN A 11 12.695 -7.073 3.952 1.00 0.00 C ATOM 57 O ASN A 11 12.428 -7.965 4.744 1.00 0.00 O ATOM 58 CB ASN A 11 14.288 -8.691 2.891 1.00 0.00 C ATOM 59 CG ASN A 11 15.099 -9.059 1.661 1.00 0.00 C ATOM 60 OD1 ASN A 11 16.316 -8.875 1.621 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.453 -9.628 0.671 1.00 0.00 N ATOM 0 HA ASN A 11 13.335 -7.086 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.906 -8.849 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 11 13.442 -9.375 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.959 -9.931 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.444 -9.767 0.733 1.00 0.00 H new ATOM 68 N VAL A 12 12.099 -5.927 3.928 1.00 0.00 N ATOM 69 CA VAL A 12 11.147 -5.535 4.876 1.00 0.00 C ATOM 70 C VAL A 12 10.072 -4.777 4.188 1.00 0.00 C ATOM 71 O VAL A 12 10.317 -3.814 3.452 1.00 0.00 O ATOM 72 CB VAL A 12 11.771 -4.665 6.002 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.697 -3.970 6.835 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.634 -5.492 6.926 1.00 0.00 C ATOM 0 H VAL A 12 12.279 -5.221 3.214 1.00 0.00 H new ATOM 0 HA VAL A 12 10.742 -6.430 5.347 1.00 0.00 H new ATOM 0 HB VAL A 12 12.385 -3.915 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.171 -3.371 7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.099 -3.324 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.053 -4.719 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.054 -4.852 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.029 -6.272 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.442 -5.950 6.356 1.00 0.00 H new ATOM 84 N THR A 13 8.933 -5.226 4.405 1.00 0.00 N ATOM 85 CA THR A 13 7.767 -4.661 3.941 1.00 0.00 C ATOM 86 C THR A 13 7.062 -4.128 5.159 1.00 0.00 C ATOM 87 O THR A 13 6.687 -4.893 6.064 1.00 0.00 O ATOM 88 CB THR A 13 6.941 -5.759 3.306 1.00 0.00 C ATOM 89 OG1 THR A 13 7.666 -6.388 2.236 1.00 0.00 O ATOM 90 CG2 THR A 13 5.599 -5.274 2.839 1.00 0.00 C ATOM 0 H THR A 13 8.774 -6.069 4.958 1.00 0.00 H new ATOM 0 HA THR A 13 7.935 -3.872 3.208 1.00 0.00 H new ATOM 0 HB THR A 13 6.751 -6.503 4.080 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.038 -6.853 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.048 -6.102 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.038 -4.882 3.687 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.735 -4.486 2.098 1.00 0.00 H new ATOM 98 N THR A 14 6.951 -2.864 5.233 1.00 0.00 N ATOM 99 CA THR A 14 6.312 -2.263 6.321 1.00 0.00 C ATOM 100 C THR A 14 4.819 -2.232 6.048 1.00 0.00 C ATOM 101 O THR A 14 4.378 -1.966 4.928 1.00 0.00 O ATOM 102 CB THR A 14 6.839 -0.853 6.530 1.00 0.00 C ATOM 103 OG1 THR A 14 8.290 -0.885 6.658 1.00 0.00 O ATOM 104 CG2 THR A 14 6.231 -0.217 7.773 1.00 0.00 C ATOM 0 H THR A 14 7.305 -2.213 4.532 1.00 0.00 H new ATOM 0 HA THR A 14 6.510 -2.835 7.227 1.00 0.00 H new ATOM 0 HB THR A 14 6.557 -0.253 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.627 0.026 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.627 0.791 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.147 -0.171 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.483 -0.816 8.648 1.00 0.00 H new ATOM 112 N VAL A 15 4.084 -2.528 7.038 1.00 0.00 N ATOM 113 CA VAL A 15 2.684 -2.582 6.986 1.00 0.00 C ATOM 114 C VAL A 15 2.149 -1.571 7.921 1.00 0.00 C ATOM 115 O VAL A 15 2.698 -1.372 9.013 1.00 0.00 O ATOM 116 CB VAL A 15 2.209 -3.981 7.411 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.728 -4.009 7.746 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.506 -4.979 6.323 1.00 0.00 C ATOM 0 H VAL A 15 4.462 -2.752 7.958 1.00 0.00 H new ATOM 0 HA VAL A 15 2.334 -2.382 5.973 1.00 0.00 H new ATOM 0 HB VAL A 15 2.755 -4.247 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.441 -5.018 8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.528 -3.321 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.151 -3.708 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.166 -5.967 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.988 -4.687 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.580 -5.006 6.138 1.00 0.00 H new ATOM 128 N LEU A 16 1.139 -0.906 7.519 1.00 0.00 N ATOM 129 CA LEU A 16 0.526 -0.018 8.384 1.00 0.00 C ATOM 130 C LEU A 16 -0.897 -0.390 8.567 1.00 0.00 C ATOM 131 O LEU A 16 -1.712 -0.267 7.651 1.00 0.00 O ATOM 132 CB LEU A 16 0.608 1.400 7.932 1.00 0.00 C ATOM 133 CG LEU A 16 -0.046 2.360 8.891 1.00 0.00 C ATOM 134 CD1 LEU A 16 0.810 2.600 10.085 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.419 3.615 8.230 1.00 0.00 C ATOM 0 H LEU A 16 0.726 -0.969 6.588 1.00 0.00 H new ATOM 0 HA LEU A 16 1.067 -0.086 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.655 1.676 7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.135 1.492 6.954 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.969 1.896 9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.310 3.297 10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.984 1.657 10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.764 3.022 9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.888 4.282 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.473 4.091 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.120 3.406 7.422 1.00 0.00 H new ATOM 147 N ILE A 17 -1.190 -0.799 9.727 1.00 0.00 N ATOM 148 CA ILE A 17 -2.506 -1.121 10.097 1.00 0.00 C ATOM 149 C ILE A 17 -3.054 0.059 10.824 1.00 0.00 C ATOM 150 O ILE A 17 -2.430 0.563 11.755 1.00 0.00 O ATOM 151 CB ILE A 17 -2.541 -2.424 10.986 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.006 -3.603 10.164 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.450 -2.284 12.205 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.451 -3.456 9.759 1.00 0.00 C ATOM 0 H ILE A 17 -0.505 -0.925 10.472 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.115 -1.338 9.220 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.523 -2.582 11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.385 -3.695 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.879 -4.521 10.738 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.434 -3.211 12.779 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.097 -1.464 12.830 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.469 -2.077 11.877 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.753 -4.321 9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.074 -3.390 10.651 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.572 -2.551 9.164 1.00 0.00 H new ATOM 166 N ARG A 18 -4.127 0.581 10.341 1.00 0.00 N ATOM 167 CA ARG A 18 -4.768 1.613 11.046 1.00 0.00 C ATOM 168 C ARG A 18 -6.008 1.093 11.649 1.00 0.00 C ATOM 169 O ARG A 18 -7.034 0.891 10.993 1.00 0.00 O ATOM 170 CB ARG A 18 -4.984 2.850 10.210 1.00 0.00 C ATOM 171 CG ARG A 18 -3.683 3.536 9.873 1.00 0.00 C ATOM 172 CD ARG A 18 -3.909 4.891 9.287 1.00 0.00 C ATOM 173 NE ARG A 18 -4.628 5.771 10.202 1.00 0.00 N ATOM 174 CZ ARG A 18 -5.414 6.773 9.843 1.00 0.00 C ATOM 175 NH1 ARG A 18 -5.561 7.079 8.556 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.036 7.483 10.781 1.00 0.00 N ATOM 0 H ARG A 18 -4.571 0.306 9.465 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.111 1.946 11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.501 2.580 9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.631 3.543 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.075 3.626 10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.121 2.924 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.949 5.340 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.473 4.795 8.359 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.515 5.600 11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.067 6.541 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.167 7.852 8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.905 7.253 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.644 8.257 10.515 1.00 0.00 H new ATOM 190 N ARG A 19 -5.883 0.856 12.892 1.00 0.00 N ATOM 191 CA ARG A 19 -6.903 0.295 13.688 1.00 0.00 C ATOM 192 C ARG A 19 -7.540 1.373 14.535 1.00 0.00 C ATOM 193 O ARG A 19 -6.900 1.897 15.425 1.00 0.00 O ATOM 194 CB ARG A 19 -6.287 -0.787 14.565 1.00 0.00 C ATOM 195 CG ARG A 19 -7.255 -1.458 15.499 1.00 0.00 C ATOM 196 CD ARG A 19 -6.605 -2.616 16.218 1.00 0.00 C ATOM 197 NE ARG A 19 -7.588 -3.371 16.962 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.344 -4.412 17.746 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.127 -4.627 18.185 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.349 -5.197 18.139 1.00 0.00 N ATOM 0 H ARG A 19 -5.028 1.056 13.411 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.678 -0.145 13.060 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.836 -1.544 13.923 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.481 -0.346 15.152 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.623 -0.735 16.227 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.119 -1.814 14.938 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.109 -3.266 15.497 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.835 -2.245 16.895 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.560 -3.075 16.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.371 -3.994 17.923 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.936 -5.427 18.788 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.302 -4.995 17.836 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.164 -5.999 18.742 1.00 0.00 H new ATOM 214 N PRO A 20 -8.784 1.758 14.244 1.00 0.00 N ATOM 215 CA PRO A 20 -9.500 2.779 15.023 1.00 0.00 C ATOM 216 C PRO A 20 -9.533 2.440 16.527 1.00 0.00 C ATOM 217 O PRO A 20 -9.134 3.260 17.371 1.00 0.00 O ATOM 218 CB PRO A 20 -10.904 2.752 14.426 1.00 0.00 C ATOM 219 CG PRO A 20 -10.698 2.285 13.028 1.00 0.00 C ATOM 220 CD PRO A 20 -9.591 1.278 13.104 1.00 0.00 C ATOM 0 HA PRO A 20 -9.023 3.757 14.966 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.559 2.078 14.979 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.367 3.739 14.452 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.607 1.840 12.625 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.431 3.114 12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.972 0.271 13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.010 1.247 12.183 1.00 0.00 H new ATOM 228 N ASP A 21 -9.948 1.216 16.843 1.00 0.00 N ATOM 229 CA ASP A 21 -10.027 0.727 18.216 1.00 0.00 C ATOM 230 C ASP A 21 -10.169 -0.778 18.190 1.00 0.00 C ATOM 231 O ASP A 21 -10.090 -1.386 17.116 1.00 0.00 O ATOM 232 CB ASP A 21 -11.174 1.376 19.027 1.00 0.00 C ATOM 233 CG ASP A 21 -12.557 1.004 18.561 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.090 -0.010 19.033 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.143 1.743 17.747 1.00 0.00 O ATOM 0 H ASP A 21 -10.241 0.530 16.147 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.107 1.011 18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.068 1.091 20.074 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.068 2.460 18.979 1.00 0.00 H new ATOM 240 N LEU A 22 -10.406 -1.374 19.344 1.00 0.00 N ATOM 241 CA LEU A 22 -10.425 -2.821 19.502 1.00 0.00 C ATOM 242 C LEU A 22 -11.599 -3.497 18.818 1.00 0.00 C ATOM 243 O LEU A 22 -11.556 -4.704 18.562 1.00 0.00 O ATOM 244 CB LEU A 22 -10.338 -3.200 20.969 1.00 0.00 C ATOM 245 CG LEU A 22 -9.090 -2.685 21.683 1.00 0.00 C ATOM 246 CD1 LEU A 22 -9.025 -3.230 23.078 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.847 -3.054 20.898 1.00 0.00 C ATOM 0 H LEU A 22 -10.593 -0.865 20.208 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.540 -3.197 18.989 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.219 -2.817 21.483 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.367 -4.286 21.053 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.143 -1.598 21.746 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.130 -2.854 23.574 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.908 -2.914 23.634 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.990 -4.319 23.042 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.964 -2.681 21.418 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.783 -4.138 20.806 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.898 -2.608 19.905 1.00 0.00 H new ATOM 259 N ARG A 23 -12.625 -2.718 18.482 1.00 0.00 N ATOM 260 CA ARG A 23 -13.793 -3.237 17.738 1.00 0.00 C ATOM 261 C ARG A 23 -13.385 -3.694 16.354 1.00 0.00 C ATOM 262 O ARG A 23 -14.052 -4.529 15.730 1.00 0.00 O ATOM 263 CB ARG A 23 -14.894 -2.185 17.585 1.00 0.00 C ATOM 264 CG ARG A 23 -15.670 -1.856 18.840 1.00 0.00 C ATOM 265 CD ARG A 23 -16.366 -3.080 19.389 1.00 0.00 C ATOM 266 NE ARG A 23 -17.353 -2.730 20.407 1.00 0.00 N ATOM 267 CZ ARG A 23 -17.389 -3.238 21.641 1.00 0.00 C ATOM 268 NH1 ARG A 23 -16.342 -3.878 22.129 1.00 0.00 N ATOM 269 NH2 ARG A 23 -18.443 -3.052 22.400 1.00 0.00 N ATOM 0 H ARG A 23 -12.680 -1.725 18.708 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.179 -4.074 18.319 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.443 -1.267 17.208 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.597 -2.530 16.826 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.994 -1.450 19.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.406 -1.082 18.623 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.856 -3.615 18.576 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.627 -3.758 19.817 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.068 -2.047 20.157 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.501 -3.986 21.562 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.375 -4.264 23.072 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.237 -2.518 22.048 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.468 -3.441 23.342 1.00 0.00 H new ATOM 283 N TYR A 24 -12.293 -3.155 15.892 1.00 0.00 N ATOM 284 CA TYR A 24 -11.776 -3.451 14.601 1.00 0.00 C ATOM 285 C TYR A 24 -10.596 -4.323 14.805 1.00 0.00 C ATOM 286 O TYR A 24 -9.634 -3.894 15.388 1.00 0.00 O ATOM 287 CB TYR A 24 -11.361 -2.161 13.876 1.00 0.00 C ATOM 288 CG TYR A 24 -12.510 -1.242 13.523 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.117 -0.442 14.486 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.985 -1.174 12.223 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.163 0.396 14.158 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.026 -0.340 11.888 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.614 0.444 12.860 1.00 0.00 C ATOM 294 OH TYR A 24 -15.667 1.279 12.530 1.00 0.00 O ATOM 0 H TYR A 24 -11.732 -2.485 16.418 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.529 -3.943 13.986 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.657 -1.616 14.505 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.831 -2.428 12.961 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.764 -0.477 15.506 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.530 -1.787 11.459 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.625 1.011 14.916 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.382 -0.299 10.869 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.863 1.196 11.573 1.00 0.00 H new ATOM 304 N GLN A 25 -10.681 -5.539 14.388 1.00 0.00 N ATOM 305 CA GLN A 25 -9.587 -6.458 14.572 1.00 0.00 C ATOM 306 C GLN A 25 -8.696 -6.422 13.358 1.00 0.00 C ATOM 307 O GLN A 25 -9.129 -5.978 12.304 1.00 0.00 O ATOM 308 CB GLN A 25 -10.086 -7.864 14.866 1.00 0.00 C ATOM 309 CG GLN A 25 -11.032 -8.396 13.822 1.00 0.00 C ATOM 310 CD GLN A 25 -11.550 -9.782 14.137 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.750 -10.594 14.787 1.00 0.00 O flip ATOM 312 NE2 GLN A 25 -12.672 -10.126 13.780 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.495 -5.931 13.915 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.005 -6.150 15.441 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.231 -8.535 14.946 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.586 -7.868 15.834 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.876 -7.713 13.724 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.525 -8.415 12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.270 -9.471 13.276 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.007 -11.067 13.987 1.00 0.00 H new ATOM 321 N LEU A 26 -7.486 -6.910 13.517 1.00 0.00 N ATOM 322 CA LEU A 26 -6.424 -6.846 12.504 1.00 0.00 C ATOM 323 C LEU A 26 -6.919 -7.406 11.165 1.00 0.00 C ATOM 324 O LEU A 26 -6.919 -6.711 10.151 1.00 0.00 O ATOM 325 CB LEU A 26 -5.171 -7.656 12.953 1.00 0.00 C ATOM 326 CG LEU A 26 -4.675 -7.563 14.434 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.663 -6.149 14.987 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.407 -8.546 15.364 1.00 0.00 C ATOM 0 H LEU A 26 -7.192 -7.378 14.374 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.151 -5.797 12.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.370 -8.707 12.742 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.342 -7.354 12.313 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.630 -7.873 14.405 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.308 -6.164 16.017 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.000 -5.528 14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.672 -5.738 14.957 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.025 -8.440 16.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.475 -8.329 15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.241 -9.566 15.018 1.00 0.00 H new ATOM 340 N GLY A 27 -7.371 -8.635 11.182 1.00 0.00 N ATOM 341 CA GLY A 27 -7.852 -9.247 9.978 1.00 0.00 C ATOM 342 C GLY A 27 -6.835 -10.158 9.337 1.00 0.00 C ATOM 343 O GLY A 27 -6.881 -10.395 8.129 1.00 0.00 O ATOM 0 H GLY A 27 -7.414 -9.225 12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.754 -9.817 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.134 -8.469 9.268 1.00 0.00 H new ATOM 347 N PHE A 28 -5.906 -10.661 10.119 1.00 0.00 N ATOM 348 CA PHE A 28 -4.933 -11.599 9.605 1.00 0.00 C ATOM 349 C PHE A 28 -4.586 -12.598 10.687 1.00 0.00 C ATOM 350 O PHE A 28 -4.746 -12.312 11.879 1.00 0.00 O ATOM 351 CB PHE A 28 -3.648 -10.903 9.045 1.00 0.00 C ATOM 352 CG PHE A 28 -2.757 -10.228 10.071 1.00 0.00 C ATOM 353 CD1 PHE A 28 -1.751 -10.940 10.718 1.00 0.00 C ATOM 354 CD2 PHE A 28 -2.913 -8.889 10.371 1.00 0.00 C ATOM 355 CE1 PHE A 28 -0.932 -10.327 11.643 1.00 0.00 C ATOM 356 CE2 PHE A 28 -2.093 -8.269 11.292 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.103 -8.987 11.930 1.00 0.00 C ATOM 0 H PHE A 28 -5.804 -10.438 11.109 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.382 -12.115 8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.057 -11.649 8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.953 -10.157 8.311 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.610 -11.987 10.493 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.687 -8.319 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.159 -10.893 12.141 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.227 -7.220 11.513 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.463 -8.502 12.652 1.00 0.00 H new ATOM 367 N SER A 29 -4.141 -13.747 10.283 1.00 0.00 N ATOM 368 CA SER A 29 -3.765 -14.797 11.198 1.00 0.00 C ATOM 369 C SER A 29 -2.249 -14.944 11.188 1.00 0.00 C ATOM 370 O SER A 29 -1.626 -14.927 10.106 1.00 0.00 O ATOM 371 CB SER A 29 -4.428 -16.083 10.753 1.00 0.00 C ATOM 372 OG SER A 29 -5.829 -15.876 10.603 1.00 0.00 O ATOM 0 H SER A 29 -4.025 -13.992 9.300 1.00 0.00 H new ATOM 0 HA SER A 29 -4.087 -14.560 12.212 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.997 -16.417 9.809 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.244 -16.870 11.484 1.00 0.00 H new ATOM 0 HG SER A 29 -6.254 -16.710 10.313 1.00 0.00 H new ATOM 378 N VAL A 30 -1.658 -15.099 12.353 1.00 0.00 N ATOM 379 CA VAL A 30 -0.230 -15.147 12.459 1.00 0.00 C ATOM 380 C VAL A 30 0.215 -16.390 13.265 1.00 0.00 C ATOM 381 O VAL A 30 -0.399 -16.760 14.275 1.00 0.00 O ATOM 382 CB VAL A 30 0.320 -13.809 13.090 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.636 -13.895 14.578 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.488 -13.273 12.315 1.00 0.00 C ATOM 0 H VAL A 30 -2.154 -15.194 13.239 1.00 0.00 H new ATOM 0 HA VAL A 30 0.195 -15.239 11.460 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.505 -13.101 13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.008 -12.932 14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.268 -14.156 15.128 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.395 -14.659 14.745 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.840 -12.351 12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.292 -14.009 12.314 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.181 -13.069 11.289 1.00 0.00 H new ATOM 394 N GLN A 31 1.232 -17.044 12.784 1.00 0.00 N ATOM 395 CA GLN A 31 1.810 -18.183 13.445 1.00 0.00 C ATOM 396 C GLN A 31 3.316 -17.973 13.575 1.00 0.00 C ATOM 397 O GLN A 31 3.993 -17.708 12.609 1.00 0.00 O ATOM 398 CB GLN A 31 1.384 -19.518 12.763 1.00 0.00 C ATOM 399 CG GLN A 31 1.525 -19.562 11.238 1.00 0.00 C ATOM 400 CD GLN A 31 2.932 -19.800 10.738 1.00 0.00 C ATOM 401 OE1 GLN A 31 3.655 -20.659 11.396 1.00 0.00 O flip ATOM 402 NE2 GLN A 31 3.318 -19.297 9.690 1.00 0.00 N flip ATOM 0 H GLN A 31 1.692 -16.799 11.907 1.00 0.00 H new ATOM 0 HA GLN A 31 1.421 -18.274 14.459 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.979 -20.327 13.188 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.344 -19.719 13.019 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.879 -20.349 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.163 -18.620 10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.727 -18.627 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.230 -19.549 9.309 1.00 0.00 H new ATOM 411 N ASN A 32 3.798 -17.987 14.812 1.00 0.00 N ATOM 412 CA ASN A 32 5.213 -17.652 15.192 1.00 0.00 C ATOM 413 C ASN A 32 5.563 -16.199 14.871 1.00 0.00 C ATOM 414 O ASN A 32 6.686 -15.762 15.071 1.00 0.00 O ATOM 415 CB ASN A 32 6.274 -18.571 14.543 1.00 0.00 C ATOM 416 CG ASN A 32 6.167 -20.023 14.930 1.00 0.00 C ATOM 417 OD1 ASN A 32 6.673 -20.439 15.970 1.00 0.00 O ATOM 418 ND2 ASN A 32 5.595 -20.811 14.066 1.00 0.00 N ATOM 0 H ASN A 32 3.222 -18.234 15.616 1.00 0.00 H new ATOM 0 HA ASN A 32 5.245 -17.815 16.269 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.191 -18.490 13.459 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.265 -18.208 14.815 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.555 -21.815 14.240 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.187 -20.424 13.215 1.00 0.00 H new ATOM 425 N GLY A 33 4.592 -15.451 14.410 1.00 0.00 N ATOM 426 CA GLY A 33 4.845 -14.104 13.975 1.00 0.00 C ATOM 427 C GLY A 33 4.842 -14.035 12.464 1.00 0.00 C ATOM 428 O GLY A 33 5.045 -12.988 11.883 1.00 0.00 O ATOM 0 H GLY A 33 3.621 -15.753 14.327 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.085 -13.435 14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.806 -13.764 14.360 1.00 0.00 H new ATOM 432 N ILE A 34 4.597 -15.163 11.835 1.00 0.00 N ATOM 433 CA ILE A 34 4.533 -15.245 10.395 1.00 0.00 C ATOM 434 C ILE A 34 3.077 -15.300 9.977 1.00 0.00 C ATOM 435 O ILE A 34 2.305 -16.121 10.472 1.00 0.00 O ATOM 436 CB ILE A 34 5.325 -16.470 9.774 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.855 -16.394 10.027 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.083 -16.558 8.272 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.305 -16.648 11.450 1.00 0.00 C ATOM 0 H ILE A 34 4.436 -16.051 12.310 1.00 0.00 H new ATOM 0 HA ILE A 34 5.026 -14.355 10.005 1.00 0.00 H new ATOM 0 HB ILE A 34 4.944 -17.359 10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.347 -17.117 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.204 -15.406 9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.635 -17.405 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.018 -16.693 8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.423 -15.639 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.391 -16.569 11.508 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.852 -15.910 12.112 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.997 -17.648 11.756 1.00 0.00 H new ATOM 451 N ILE A 35 2.708 -14.382 9.141 1.00 0.00 N ATOM 452 CA ILE A 35 1.367 -14.240 8.635 1.00 0.00 C ATOM 453 C ILE A 35 0.990 -15.441 7.768 1.00 0.00 C ATOM 454 O ILE A 35 1.608 -15.686 6.723 1.00 0.00 O ATOM 455 CB ILE A 35 1.283 -12.938 7.833 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.735 -11.790 8.754 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.139 -12.718 7.301 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.914 -10.472 8.080 1.00 0.00 C ATOM 0 H ILE A 35 3.352 -13.681 8.774 1.00 0.00 H new ATOM 0 HA ILE A 35 0.661 -14.202 9.465 1.00 0.00 H new ATOM 0 HB ILE A 35 1.934 -12.982 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.002 -11.676 9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.677 -12.071 9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.176 -11.788 6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.418 -13.549 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.836 -12.661 8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.233 -9.730 8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.671 -10.562 7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.969 -10.160 7.635 1.00 0.00 H new ATOM 470 N CYS A 36 -0.011 -16.170 8.207 1.00 0.00 N ATOM 471 CA CYS A 36 -0.430 -17.392 7.555 1.00 0.00 C ATOM 472 C CYS A 36 -1.678 -17.180 6.696 1.00 0.00 C ATOM 473 O CYS A 36 -1.878 -17.870 5.696 1.00 0.00 O ATOM 474 CB CYS A 36 -0.686 -18.470 8.616 1.00 0.00 C ATOM 475 SG CYS A 36 -1.123 -20.099 7.973 1.00 0.00 S ATOM 0 H CYS A 36 -0.561 -15.931 9.032 1.00 0.00 H new ATOM 0 HA CYS A 36 0.368 -17.715 6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.208 -18.569 9.232 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.488 -18.129 9.270 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.585 -19.979 6.764 1.00 0.00 H new ATOM 481 N SER A 37 -2.508 -16.225 7.060 1.00 0.00 N ATOM 482 CA SER A 37 -3.724 -15.988 6.318 1.00 0.00 C ATOM 483 C SER A 37 -4.159 -14.545 6.500 1.00 0.00 C ATOM 484 O SER A 37 -3.779 -13.896 7.493 1.00 0.00 O ATOM 485 CB SER A 37 -4.835 -16.957 6.769 1.00 0.00 C ATOM 486 OG SER A 37 -5.963 -16.884 5.907 1.00 0.00 O ATOM 0 H SER A 37 -2.363 -15.606 7.858 1.00 0.00 H new ATOM 0 HA SER A 37 -3.535 -16.168 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.449 -17.976 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.137 -16.718 7.789 1.00 0.00 H new ATOM 0 HG SER A 37 -6.651 -17.510 6.215 1.00 0.00 H new ATOM 492 N LEU A 38 -4.929 -14.054 5.555 1.00 0.00 N ATOM 493 CA LEU A 38 -5.412 -12.695 5.544 1.00 0.00 C ATOM 494 C LEU A 38 -6.903 -12.677 5.202 1.00 0.00 C ATOM 495 O LEU A 38 -7.365 -13.474 4.362 1.00 0.00 O ATOM 496 CB LEU A 38 -4.611 -11.888 4.506 1.00 0.00 C ATOM 497 CG LEU A 38 -5.017 -10.427 4.284 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.927 -9.644 5.565 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.131 -9.792 3.255 1.00 0.00 C ATOM 0 H LEU A 38 -5.243 -14.603 4.755 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.280 -12.246 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.562 -11.905 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.681 -12.406 3.550 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.049 -10.417 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.220 -8.610 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.593 -10.083 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.902 -9.670 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.431 -8.754 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.096 -9.826 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.221 -10.333 2.313 1.00 0.00 H new ATOM 511 N MET A 39 -7.646 -11.822 5.872 1.00 0.00 N ATOM 512 CA MET A 39 -9.060 -11.648 5.617 1.00 0.00 C ATOM 513 C MET A 39 -9.247 -10.532 4.592 1.00 0.00 C ATOM 514 O MET A 39 -8.729 -9.418 4.767 1.00 0.00 O ATOM 515 CB MET A 39 -9.800 -11.298 6.921 1.00 0.00 C ATOM 516 CG MET A 39 -11.302 -11.090 6.757 1.00 0.00 C ATOM 517 SD MET A 39 -12.158 -12.580 6.193 1.00 0.00 S ATOM 518 CE MET A 39 -13.839 -11.967 6.075 1.00 0.00 C ATOM 0 H MET A 39 -7.283 -11.224 6.614 1.00 0.00 H new ATOM 0 HA MET A 39 -9.475 -12.577 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.633 -12.096 7.645 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.364 -10.391 7.340 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.726 -10.771 7.709 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.477 -10.284 6.044 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.496 -12.769 5.738 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.168 -11.616 7.053 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.877 -11.143 5.362 1.00 0.00 H new ATOM 528 N ARG A 40 -9.969 -10.826 3.544 1.00 0.00 N ATOM 529 CA ARG A 40 -10.196 -9.886 2.478 1.00 0.00 C ATOM 530 C ARG A 40 -11.237 -8.854 2.929 1.00 0.00 C ATOM 531 O ARG A 40 -12.263 -9.210 3.541 1.00 0.00 O ATOM 532 CB ARG A 40 -10.708 -10.619 1.248 1.00 0.00 C ATOM 533 CG ARG A 40 -10.708 -9.788 -0.010 1.00 0.00 C ATOM 534 CD ARG A 40 -9.306 -9.623 -0.573 1.00 0.00 C ATOM 535 NE ARG A 40 -9.260 -8.579 -1.591 1.00 0.00 N ATOM 536 CZ ARG A 40 -9.153 -8.762 -2.913 1.00 0.00 C ATOM 537 NH1 ARG A 40 -9.081 -9.983 -3.432 1.00 0.00 N ATOM 538 NH2 ARG A 40 -9.107 -7.709 -3.710 1.00 0.00 N ATOM 0 H ARG A 40 -10.419 -11.730 3.405 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.261 -9.382 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.094 -11.505 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.723 -10.965 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.347 -10.258 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.133 -8.807 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.615 -9.377 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.972 -10.567 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.315 -7.615 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.107 -10.799 -2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.000 -10.104 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.153 -6.769 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.026 -7.836 -4.719 1.00 0.00 H new ATOM 552 N GLY A 41 -10.969 -7.595 2.653 1.00 0.00 N ATOM 553 CA GLY A 41 -11.873 -6.536 3.036 1.00 0.00 C ATOM 554 C GLY A 41 -11.615 -6.055 4.444 1.00 0.00 C ATOM 555 O GLY A 41 -12.302 -5.161 4.942 1.00 0.00 O ATOM 0 H GLY A 41 -10.131 -7.282 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.768 -5.701 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.901 -6.890 2.956 1.00 0.00 H new ATOM 559 N GLY A 42 -10.627 -6.635 5.082 1.00 0.00 N ATOM 560 CA GLY A 42 -10.301 -6.256 6.426 1.00 0.00 C ATOM 561 C GLY A 42 -9.232 -5.207 6.424 1.00 0.00 C ATOM 562 O GLY A 42 -8.598 -4.969 5.373 1.00 0.00 O ATOM 0 H GLY A 42 -10.039 -7.370 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.190 -5.878 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.963 -7.128 6.986 1.00 0.00 H new ATOM 566 N ILE A 43 -9.007 -4.578 7.568 1.00 0.00 N ATOM 567 CA ILE A 43 -7.973 -3.555 7.684 1.00 0.00 C ATOM 568 C ILE A 43 -6.597 -4.050 7.293 1.00 0.00 C ATOM 569 O ILE A 43 -5.847 -3.327 6.676 1.00 0.00 O ATOM 570 CB ILE A 43 -7.920 -2.827 9.060 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.293 -3.746 10.226 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.756 -1.564 9.052 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.163 -3.080 11.591 1.00 0.00 C ATOM 0 H ILE A 43 -9.524 -4.756 8.429 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.286 -2.807 6.956 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.882 -2.534 9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.319 -4.089 10.094 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.656 -4.630 10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.696 -1.082 10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.380 -0.884 8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.794 -1.816 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.443 -3.789 12.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.132 -2.762 11.744 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.821 -2.212 11.637 1.00 0.00 H new ATOM 585 N ALA A 44 -6.288 -5.298 7.610 1.00 0.00 N ATOM 586 CA ALA A 44 -4.987 -5.873 7.304 1.00 0.00 C ATOM 587 C ALA A 44 -4.683 -5.865 5.806 1.00 0.00 C ATOM 588 O ALA A 44 -3.552 -5.581 5.399 1.00 0.00 O ATOM 589 CB ALA A 44 -4.892 -7.257 7.877 1.00 0.00 C ATOM 0 H ALA A 44 -6.927 -5.937 8.083 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.227 -5.246 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.915 -7.681 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.020 -7.213 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.672 -7.884 7.445 1.00 0.00 H new ATOM 595 N GLU A 45 -5.703 -6.112 4.996 1.00 0.00 N ATOM 596 CA GLU A 45 -5.560 -6.109 3.546 1.00 0.00 C ATOM 597 C GLU A 45 -5.120 -4.729 3.101 1.00 0.00 C ATOM 598 O GLU A 45 -4.133 -4.556 2.381 1.00 0.00 O ATOM 599 CB GLU A 45 -6.896 -6.409 2.881 1.00 0.00 C ATOM 600 CG GLU A 45 -6.815 -6.447 1.371 1.00 0.00 C ATOM 601 CD GLU A 45 -8.117 -6.122 0.716 1.00 0.00 C ATOM 602 OE1 GLU A 45 -9.087 -6.857 0.894 1.00 0.00 O ATOM 603 OE2 GLU A 45 -8.186 -5.109 -0.021 1.00 0.00 O ATOM 0 H GLU A 45 -6.647 -6.319 5.322 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.830 -6.867 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.267 -7.368 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.622 -5.653 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.057 -5.740 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.490 -7.438 1.053 1.00 0.00 H new ATOM 610 N ARG A 46 -5.831 -3.755 3.598 1.00 0.00 N ATOM 611 CA ARG A 46 -5.628 -2.359 3.235 1.00 0.00 C ATOM 612 C ARG A 46 -4.402 -1.782 3.930 1.00 0.00 C ATOM 613 O ARG A 46 -3.874 -0.736 3.532 1.00 0.00 O ATOM 614 CB ARG A 46 -6.891 -1.569 3.556 1.00 0.00 C ATOM 615 CG ARG A 46 -8.092 -2.092 2.789 1.00 0.00 C ATOM 616 CD ARG A 46 -9.378 -1.411 3.179 1.00 0.00 C ATOM 617 NE ARG A 46 -10.506 -1.992 2.442 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.764 -2.086 2.882 1.00 0.00 C ATOM 619 NH1 ARG A 46 -12.115 -1.584 4.068 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.673 -2.674 2.120 1.00 0.00 N ATOM 0 H ARG A 46 -6.580 -3.899 4.276 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.437 -2.288 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.091 -1.623 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.734 -0.518 3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.923 -1.954 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.188 -3.164 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.543 -1.516 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.310 -0.343 2.970 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.312 -2.357 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.419 -1.121 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.079 -1.664 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.409 -3.049 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.637 -2.752 2.444 1.00 0.00 H new ATOM 634 N GLY A 47 -3.956 -2.485 4.954 1.00 0.00 N ATOM 635 CA GLY A 47 -2.776 -2.128 5.682 1.00 0.00 C ATOM 636 C GLY A 47 -1.522 -2.556 4.954 1.00 0.00 C ATOM 637 O GLY A 47 -0.422 -2.049 5.222 1.00 0.00 O ATOM 0 H GLY A 47 -4.416 -3.328 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.757 -1.049 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.802 -2.592 6.668 1.00 0.00 H new ATOM 641 N GLY A 48 -1.680 -3.496 4.038 1.00 0.00 N ATOM 642 CA GLY A 48 -0.568 -3.949 3.237 1.00 0.00 C ATOM 643 C GLY A 48 -0.035 -5.273 3.702 1.00 0.00 C ATOM 644 O GLY A 48 1.085 -5.665 3.348 1.00 0.00 O ATOM 0 H GLY A 48 -2.567 -3.956 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.882 -4.031 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.229 -3.206 3.272 1.00 0.00 H new ATOM 648 N VAL A 49 -0.829 -5.970 4.492 1.00 0.00 N ATOM 649 CA VAL A 49 -0.447 -7.246 5.029 1.00 0.00 C ATOM 650 C VAL A 49 -0.394 -8.293 3.930 1.00 0.00 C ATOM 651 O VAL A 49 -1.282 -8.358 3.070 1.00 0.00 O ATOM 652 CB VAL A 49 -1.413 -7.676 6.163 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.211 -9.112 6.560 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.244 -6.792 7.375 1.00 0.00 C ATOM 0 H VAL A 49 -1.758 -5.660 4.776 1.00 0.00 H new ATOM 0 HA VAL A 49 0.551 -7.155 5.457 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.425 -7.569 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.908 -9.371 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.389 -9.756 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.189 -9.252 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.932 -7.112 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.219 -6.866 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.459 -5.758 7.104 1.00 0.00 H new ATOM 664 N ARG A 50 0.669 -9.064 3.933 1.00 0.00 N ATOM 665 CA ARG A 50 0.864 -10.122 2.987 1.00 0.00 C ATOM 666 C ARG A 50 1.278 -11.353 3.705 1.00 0.00 C ATOM 667 O ARG A 50 2.103 -11.316 4.626 1.00 0.00 O ATOM 668 CB ARG A 50 1.887 -9.740 1.920 1.00 0.00 C ATOM 669 CG ARG A 50 1.420 -8.616 1.023 1.00 0.00 C ATOM 670 CD ARG A 50 0.306 -9.056 0.098 1.00 0.00 C ATOM 671 NE ARG A 50 -0.276 -7.934 -0.640 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.842 -8.003 -1.849 1.00 0.00 C ATOM 673 NH1 ARG A 50 -0.855 -9.145 -2.527 1.00 0.00 N ATOM 674 NH2 ARG A 50 -1.421 -6.923 -2.360 1.00 0.00 N ATOM 0 H ARG A 50 1.430 -8.967 4.605 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.078 -10.307 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.817 -9.446 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.110 -10.615 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.075 -7.783 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.260 -8.251 0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.691 -9.792 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.473 -9.549 0.679 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.247 -7.018 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.430 -9.981 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.290 -9.186 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.431 -6.051 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.856 -6.965 -3.282 1.00 0.00 H new ATOM 688 N VAL A 51 0.700 -12.411 3.292 1.00 0.00 N ATOM 689 CA VAL A 51 0.913 -13.719 3.852 1.00 0.00 C ATOM 690 C VAL A 51 2.298 -14.241 3.459 1.00 0.00 C ATOM 691 O VAL A 51 2.819 -13.898 2.388 1.00 0.00 O ATOM 692 CB VAL A 51 -0.215 -14.655 3.369 1.00 0.00 C ATOM 693 CG1 VAL A 51 0.048 -16.119 3.678 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.534 -14.225 3.973 1.00 0.00 C ATOM 0 H VAL A 51 0.032 -12.408 2.521 1.00 0.00 H new ATOM 0 HA VAL A 51 0.884 -13.676 4.941 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.253 -14.568 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.783 -16.723 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.969 -16.434 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.146 -16.251 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.326 -14.890 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.469 -14.272 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.759 -13.203 3.667 1.00 0.00 H new ATOM 704 N GLY A 52 2.905 -15.019 4.337 1.00 0.00 N ATOM 705 CA GLY A 52 4.231 -15.530 4.078 1.00 0.00 C ATOM 706 C GLY A 52 5.263 -14.532 4.518 1.00 0.00 C ATOM 707 O GLY A 52 6.379 -14.494 4.021 1.00 0.00 O ATOM 0 H GLY A 52 2.501 -15.307 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.376 -16.472 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.347 -15.740 3.015 1.00 0.00 H new ATOM 711 N HIS A 53 4.867 -13.690 5.426 1.00 0.00 N ATOM 712 CA HIS A 53 5.724 -12.665 5.941 1.00 0.00 C ATOM 713 C HIS A 53 5.884 -12.782 7.436 1.00 0.00 C ATOM 714 O HIS A 53 4.929 -13.060 8.147 1.00 0.00 O ATOM 715 CB HIS A 53 5.222 -11.267 5.567 1.00 0.00 C ATOM 716 CG HIS A 53 5.512 -10.851 4.155 1.00 0.00 C ATOM 717 ND1 HIS A 53 6.315 -9.777 3.844 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.090 -11.348 2.973 1.00 0.00 C ATOM 719 CE1 HIS A 53 6.374 -9.638 2.537 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.642 -10.576 1.989 1.00 0.00 N ATOM 0 H HIS A 53 3.932 -13.696 5.833 1.00 0.00 H new ATOM 0 HA HIS A 53 6.701 -12.807 5.479 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.145 -11.228 5.728 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.672 -10.541 6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.438 -12.197 2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.931 -8.880 2.006 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.506 -10.709 0.987 1.00 0.00 H new ATOM 729 N ARG A 54 7.095 -12.562 7.893 1.00 0.00 N ATOM 730 CA ARG A 54 7.434 -12.614 9.302 1.00 0.00 C ATOM 731 C ARG A 54 7.347 -11.219 9.848 1.00 0.00 C ATOM 732 O ARG A 54 8.026 -10.326 9.344 1.00 0.00 O ATOM 733 CB ARG A 54 8.883 -13.093 9.502 1.00 0.00 C ATOM 734 CG ARG A 54 9.296 -13.206 10.966 1.00 0.00 C ATOM 735 CD ARG A 54 10.813 -13.144 11.170 1.00 0.00 C ATOM 736 NE ARG A 54 11.597 -14.054 10.311 1.00 0.00 N ATOM 737 CZ ARG A 54 12.434 -15.003 10.768 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.406 -15.367 12.046 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.287 -15.600 9.940 1.00 0.00 N ATOM 0 H ARG A 54 7.886 -12.338 7.290 1.00 0.00 H new ATOM 0 HA ARG A 54 6.752 -13.301 9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.004 -14.065 9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.558 -12.402 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.826 -12.402 11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.919 -14.145 11.372 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.147 -12.122 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.034 -13.373 12.213 1.00 0.00 H new ATOM 0 HE ARG A 54 11.497 -13.956 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.747 -14.926 12.688 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.044 -16.087 12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.308 -15.339 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.920 -16.319 10.291 1.00 0.00 H new ATOM 753 N ILE A 55 6.521 -11.015 10.815 1.00 0.00 N ATOM 754 CA ILE A 55 6.435 -9.735 11.453 1.00 0.00 C ATOM 755 C ILE A 55 7.613 -9.551 12.381 1.00 0.00 C ATOM 756 O ILE A 55 7.847 -10.357 13.279 1.00 0.00 O ATOM 757 CB ILE A 55 5.140 -9.568 12.250 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.937 -9.763 11.341 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.099 -8.193 12.911 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.647 -9.515 12.029 1.00 0.00 C ATOM 0 H ILE A 55 5.887 -11.722 11.188 1.00 0.00 H new ATOM 0 HA ILE A 55 6.443 -8.980 10.667 1.00 0.00 H new ATOM 0 HB ILE A 55 5.108 -10.326 13.033 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.022 -9.092 10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.945 -10.780 10.950 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.172 -8.088 13.475 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.948 -8.088 13.586 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.147 -7.419 12.145 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.826 -9.670 11.329 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.544 -10.203 12.868 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.622 -8.489 12.396 1.00 0.00 H new ATOM 772 N ILE A 56 8.360 -8.518 12.146 1.00 0.00 N ATOM 773 CA ILE A 56 9.485 -8.227 12.941 1.00 0.00 C ATOM 774 C ILE A 56 9.220 -7.115 13.917 1.00 0.00 C ATOM 775 O ILE A 56 9.954 -6.950 14.885 1.00 0.00 O ATOM 776 CB ILE A 56 10.749 -7.926 12.123 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.609 -6.634 11.342 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.047 -9.086 11.174 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.881 -6.223 10.699 1.00 0.00 C ATOM 0 H ILE A 56 8.195 -7.855 11.389 1.00 0.00 H new ATOM 0 HA ILE A 56 9.676 -9.141 13.503 1.00 0.00 H new ATOM 0 HB ILE A 56 11.580 -7.807 12.819 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.841 -6.756 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.271 -5.843 12.011 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.945 -8.863 10.598 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.203 -9.997 11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.206 -9.226 10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.728 -5.293 10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.643 -6.074 11.463 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.207 -7.000 10.008 1.00 0.00 H new ATOM 791 N GLU A 57 8.141 -6.387 13.713 1.00 0.00 N ATOM 792 CA GLU A 57 7.882 -5.233 14.538 1.00 0.00 C ATOM 793 C GLU A 57 6.451 -4.847 14.443 1.00 0.00 C ATOM 794 O GLU A 57 5.859 -4.980 13.394 1.00 0.00 O ATOM 795 CB GLU A 57 8.796 -4.085 14.112 1.00 0.00 C ATOM 796 CG GLU A 57 8.657 -2.819 14.905 1.00 0.00 C ATOM 797 CD GLU A 57 9.777 -1.890 14.625 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.819 -2.005 15.280 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.645 -1.039 13.730 1.00 0.00 O ATOM 0 H GLU A 57 7.441 -6.572 12.994 1.00 0.00 H new ATOM 0 HA GLU A 57 8.094 -5.473 15.580 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.830 -4.423 14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.602 -3.859 13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.710 -2.336 14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.632 -3.053 15.969 1.00 0.00 H new ATOM 806 N ILE A 58 5.901 -4.415 15.543 1.00 0.00 N ATOM 807 CA ILE A 58 4.531 -3.988 15.633 1.00 0.00 C ATOM 808 C ILE A 58 4.492 -2.683 16.374 1.00 0.00 C ATOM 809 O ILE A 58 5.055 -2.580 17.451 1.00 0.00 O ATOM 810 CB ILE A 58 3.678 -5.001 16.422 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.650 -6.345 15.709 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.248 -4.468 16.606 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.187 -7.472 16.581 1.00 0.00 C ATOM 0 H ILE A 58 6.406 -4.348 16.426 1.00 0.00 H new ATOM 0 HA ILE A 58 4.131 -3.897 14.623 1.00 0.00 H new ATOM 0 HB ILE A 58 4.129 -5.139 17.405 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.994 -6.274 14.841 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.649 -6.571 15.336 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.658 -5.194 17.165 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.278 -3.526 17.154 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.792 -4.305 15.629 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.191 -8.400 16.009 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.856 -7.569 17.436 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.176 -7.268 16.933 1.00 0.00 H new ATOM 825 N ASN A 59 3.929 -1.671 15.737 1.00 0.00 N ATOM 826 CA ASN A 59 3.647 -0.344 16.332 1.00 0.00 C ATOM 827 C ASN A 59 4.921 0.500 16.532 1.00 0.00 C ATOM 828 O ASN A 59 4.859 1.720 16.570 1.00 0.00 O ATOM 829 CB ASN A 59 2.859 -0.488 17.661 1.00 0.00 C ATOM 830 CG ASN A 59 2.262 0.815 18.153 1.00 0.00 C ATOM 831 OD1 ASN A 59 1.026 1.046 17.791 1.00 0.00 O flip ATOM 832 ND2 ASN A 59 2.892 1.575 18.875 1.00 0.00 N flip ATOM 0 H ASN A 59 3.641 -1.736 14.761 1.00 0.00 H new ATOM 0 HA ASN A 59 3.025 0.195 15.618 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.059 -1.216 17.523 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.524 -0.886 18.427 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.854 1.354 19.132 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.455 2.430 19.220 1.00 0.00 H new ATOM 839 N GLY A 60 6.051 -0.162 16.578 1.00 0.00 N ATOM 840 CA GLY A 60 7.306 0.485 16.848 1.00 0.00 C ATOM 841 C GLY A 60 8.201 -0.406 17.690 1.00 0.00 C ATOM 842 O GLY A 60 9.376 -0.117 17.879 1.00 0.00 O ATOM 0 H GLY A 60 6.124 -1.168 16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.805 0.727 15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.130 1.427 17.368 1.00 0.00 H new ATOM 846 N GLN A 61 7.650 -1.508 18.170 1.00 0.00 N ATOM 847 CA GLN A 61 8.386 -2.430 19.000 1.00 0.00 C ATOM 848 C GLN A 61 8.684 -3.684 18.216 1.00 0.00 C ATOM 849 O GLN A 61 7.776 -4.291 17.623 1.00 0.00 O ATOM 850 CB GLN A 61 7.628 -2.724 20.317 1.00 0.00 C ATOM 851 CG GLN A 61 6.275 -3.404 20.160 1.00 0.00 C ATOM 852 CD GLN A 61 5.497 -3.487 21.455 1.00 0.00 C ATOM 853 OE1 GLN A 61 4.708 -2.596 21.776 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.726 -4.515 22.216 1.00 0.00 N ATOM 0 H GLN A 61 6.684 -1.783 17.993 1.00 0.00 H new ATOM 0 HA GLN A 61 9.335 -1.978 19.289 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.259 -3.352 20.946 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.482 -1.784 20.849 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.685 -2.859 19.423 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.424 -4.410 19.768 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.386 -5.233 21.918 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.246 -4.604 23.112 1.00 0.00 H new ATOM 863 N SER A 62 9.947 -4.016 18.123 1.00 0.00 N ATOM 864 CA SER A 62 10.364 -5.184 17.412 1.00 0.00 C ATOM 865 C SER A 62 9.934 -6.431 18.175 1.00 0.00 C ATOM 866 O SER A 62 10.440 -6.730 19.255 1.00 0.00 O ATOM 867 CB SER A 62 11.865 -5.158 17.215 1.00 0.00 C ATOM 868 OG SER A 62 12.283 -3.912 16.666 1.00 0.00 O ATOM 0 H SER A 62 10.709 -3.481 18.539 1.00 0.00 H new ATOM 0 HA SER A 62 9.892 -5.202 16.430 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.364 -5.325 18.169 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.163 -5.970 16.552 1.00 0.00 H new ATOM 0 HG SER A 62 11.517 -3.465 16.249 1.00 0.00 H new ATOM 874 N VAL A 63 9.007 -7.154 17.609 1.00 0.00 N ATOM 875 CA VAL A 63 8.435 -8.299 18.234 1.00 0.00 C ATOM 876 C VAL A 63 9.011 -9.542 17.618 1.00 0.00 C ATOM 877 O VAL A 63 8.527 -10.648 17.814 1.00 0.00 O ATOM 878 CB VAL A 63 6.915 -8.258 18.077 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.373 -6.991 18.759 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.541 -8.293 16.599 1.00 0.00 C ATOM 0 H VAL A 63 8.626 -6.955 16.684 1.00 0.00 H new ATOM 0 HA VAL A 63 8.669 -8.303 19.299 1.00 0.00 H new ATOM 0 HB VAL A 63 6.468 -9.130 18.554 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.289 -6.955 18.651 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.632 -7.009 19.818 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.814 -6.110 18.292 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.456 -8.263 16.497 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.976 -7.431 16.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.923 -9.209 16.149 1.00 0.00 H new ATOM 890 N VAL A 64 10.103 -9.350 16.930 1.00 0.00 N ATOM 891 CA VAL A 64 10.787 -10.420 16.256 1.00 0.00 C ATOM 892 C VAL A 64 11.479 -11.343 17.272 1.00 0.00 C ATOM 893 O VAL A 64 11.809 -12.489 16.980 1.00 0.00 O ATOM 894 CB VAL A 64 11.789 -9.854 15.231 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.072 -9.346 15.860 1.00 0.00 C ATOM 896 CG2 VAL A 64 12.022 -10.822 14.111 1.00 0.00 C ATOM 0 H VAL A 64 10.547 -8.438 16.820 1.00 0.00 H new ATOM 0 HA VAL A 64 10.056 -11.018 15.712 1.00 0.00 H new ATOM 0 HB VAL A 64 11.329 -8.967 14.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.732 -8.962 15.082 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.840 -8.548 16.566 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.568 -10.162 16.385 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.733 -10.395 13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.423 -11.753 14.512 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.079 -11.023 13.602 1.00 0.00 H new ATOM 906 N ALA A 65 11.649 -10.827 18.472 1.00 0.00 N ATOM 907 CA ALA A 65 12.242 -11.552 19.567 1.00 0.00 C ATOM 908 C ALA A 65 11.179 -11.822 20.623 1.00 0.00 C ATOM 909 O ALA A 65 11.476 -12.232 21.746 1.00 0.00 O ATOM 910 CB ALA A 65 13.374 -10.734 20.144 1.00 0.00 C ATOM 0 H ALA A 65 11.373 -9.875 18.714 1.00 0.00 H new ATOM 0 HA ALA A 65 12.639 -12.506 19.220 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.828 -11.276 20.974 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.124 -10.556 19.373 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.988 -9.780 20.502 1.00 0.00 H new ATOM 916 N THR A 66 9.950 -11.587 20.248 1.00 0.00 N ATOM 917 CA THR A 66 8.824 -11.761 21.075 1.00 0.00 C ATOM 918 C THR A 66 8.149 -13.092 20.667 1.00 0.00 C ATOM 919 O THR A 66 8.120 -13.427 19.479 1.00 0.00 O ATOM 920 CB THR A 66 7.894 -10.549 20.832 1.00 0.00 C ATOM 921 OG1 THR A 66 8.610 -9.334 21.135 1.00 0.00 O ATOM 922 CG2 THR A 66 6.668 -10.583 21.671 1.00 0.00 C ATOM 0 H THR A 66 9.714 -11.255 19.313 1.00 0.00 H new ATOM 0 HA THR A 66 9.074 -11.810 22.135 1.00 0.00 H new ATOM 0 HB THR A 66 7.588 -10.589 19.787 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.975 -8.592 21.215 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.056 -9.707 21.456 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.100 -11.486 21.449 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.948 -10.580 22.724 1.00 0.00 H new ATOM 930 N PRO A 67 7.703 -13.909 21.632 1.00 0.00 N ATOM 931 CA PRO A 67 7.031 -15.189 21.341 1.00 0.00 C ATOM 932 C PRO A 67 5.566 -14.999 20.882 1.00 0.00 C ATOM 933 O PRO A 67 4.999 -13.902 21.034 1.00 0.00 O ATOM 934 CB PRO A 67 7.078 -15.906 22.691 1.00 0.00 C ATOM 935 CG PRO A 67 7.057 -14.808 23.689 1.00 0.00 C ATOM 936 CD PRO A 67 7.860 -13.694 23.086 1.00 0.00 C ATOM 0 HA PRO A 67 7.510 -15.732 20.526 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.226 -16.574 22.817 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.977 -16.514 22.787 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.036 -14.487 23.896 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.487 -15.132 24.636 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.485 -12.717 23.391 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.906 -13.742 23.389 1.00 0.00 H new ATOM 944 N HIS A 68 4.957 -16.094 20.357 1.00 0.00 N ATOM 945 CA HIS A 68 3.556 -16.130 19.843 1.00 0.00 C ATOM 946 C HIS A 68 2.599 -15.426 20.782 1.00 0.00 C ATOM 947 O HIS A 68 1.889 -14.520 20.378 1.00 0.00 O ATOM 948 CB HIS A 68 3.089 -17.626 19.646 1.00 0.00 C ATOM 949 CG HIS A 68 1.588 -17.852 19.346 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.115 -18.338 18.152 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.477 -17.683 20.122 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.200 -18.443 18.202 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.602 -18.055 19.380 1.00 0.00 N ATOM 0 H HIS A 68 5.431 -16.994 20.276 1.00 0.00 H new ATOM 0 HA HIS A 68 3.544 -15.608 18.886 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.668 -18.058 18.830 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.343 -18.183 20.548 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.458 -17.320 21.139 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.836 -18.792 17.402 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.572 -18.034 19.696 1.00 0.00 H new ATOM 962 N GLU A 69 2.612 -15.860 22.018 1.00 0.00 N ATOM 963 CA GLU A 69 1.686 -15.411 23.048 1.00 0.00 C ATOM 964 C GLU A 69 1.753 -13.903 23.214 1.00 0.00 C ATOM 965 O GLU A 69 0.726 -13.232 23.289 1.00 0.00 O ATOM 966 CB GLU A 69 2.066 -16.078 24.339 1.00 0.00 C ATOM 967 CG GLU A 69 1.042 -15.988 25.453 1.00 0.00 C ATOM 968 CD GLU A 69 1.545 -16.614 26.729 1.00 0.00 C ATOM 969 OE1 GLU A 69 1.598 -17.856 26.828 1.00 0.00 O ATOM 970 OE2 GLU A 69 1.904 -15.870 27.669 1.00 0.00 O ATOM 0 H GLU A 69 3.281 -16.553 22.352 1.00 0.00 H new ATOM 0 HA GLU A 69 0.667 -15.674 22.763 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.265 -17.131 24.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.999 -15.639 24.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.794 -14.942 25.635 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.123 -16.485 25.142 1.00 0.00 H new ATOM 977 N LYS A 70 2.961 -13.374 23.228 1.00 0.00 N ATOM 978 CA LYS A 70 3.140 -11.964 23.372 1.00 0.00 C ATOM 979 C LYS A 70 2.783 -11.205 22.146 1.00 0.00 C ATOM 980 O LYS A 70 2.077 -10.228 22.238 1.00 0.00 O ATOM 981 CB LYS A 70 4.497 -11.588 23.861 1.00 0.00 C ATOM 982 CG LYS A 70 4.556 -11.545 25.355 1.00 0.00 C ATOM 983 CD LYS A 70 5.881 -11.063 25.847 1.00 0.00 C ATOM 984 CE LYS A 70 6.130 -9.609 25.453 1.00 0.00 C ATOM 985 NZ LYS A 70 7.426 -9.126 25.930 1.00 0.00 N ATOM 0 H LYS A 70 3.825 -13.909 23.141 1.00 0.00 H new ATOM 0 HA LYS A 70 2.433 -11.673 24.149 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.229 -12.305 23.489 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.772 -10.613 23.458 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.769 -10.890 25.731 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.361 -12.540 25.755 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.924 -11.159 26.932 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.672 -11.692 25.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.085 -9.515 24.368 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.337 -8.982 25.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.555 -8.135 25.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.460 -9.192 26.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.185 -9.707 25.521 1.00 0.00 H new ATOM 999 N ILE A 71 3.237 -11.669 20.998 1.00 0.00 N ATOM 1000 CA ILE A 71 2.917 -11.019 19.724 1.00 0.00 C ATOM 1001 C ILE A 71 1.400 -10.893 19.575 1.00 0.00 C ATOM 1002 O ILE A 71 0.879 -9.836 19.185 1.00 0.00 O ATOM 1003 CB ILE A 71 3.521 -11.790 18.514 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.040 -11.844 18.649 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.147 -11.121 17.199 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.743 -12.563 17.528 1.00 0.00 C ATOM 0 H ILE A 71 3.830 -12.494 20.912 1.00 0.00 H new ATOM 0 HA ILE A 71 3.364 -10.025 19.730 1.00 0.00 H new ATOM 0 HB ILE A 71 3.114 -12.801 18.512 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.423 -10.825 18.707 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.291 -12.333 19.591 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.582 -11.680 16.370 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.062 -11.103 17.095 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.529 -10.100 17.189 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.818 -12.552 17.707 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.393 -13.594 17.481 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.527 -12.063 16.584 1.00 0.00 H new ATOM 1018 N VAL A 72 0.697 -11.937 19.992 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.753 -11.936 19.957 1.00 0.00 C ATOM 1020 C VAL A 72 -1.318 -10.972 21.021 1.00 0.00 C ATOM 1021 O VAL A 72 -2.271 -10.232 20.762 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.319 -13.381 20.143 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.829 -13.388 20.333 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.956 -14.241 18.941 1.00 0.00 C ATOM 0 H VAL A 72 1.111 -12.794 20.358 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.072 -11.582 18.977 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.868 -13.790 21.047 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.175 -14.414 20.458 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.087 -12.807 21.219 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.308 -12.948 19.458 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.354 -15.246 19.079 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.382 -13.803 18.038 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.128 -14.291 18.843 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.665 -10.928 22.179 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.098 -10.098 23.315 1.00 0.00 C ATOM 1036 C HIS A 73 -1.003 -8.625 22.924 1.00 0.00 C ATOM 1037 O HIS A 73 -1.873 -7.816 23.255 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.188 -10.382 24.541 1.00 0.00 C ATOM 1039 CG HIS A 73 -0.645 -9.803 25.860 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -1.116 -10.591 26.880 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -0.667 -8.529 26.336 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -1.408 -9.843 27.920 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.145 -8.590 27.619 1.00 0.00 N ATOM 0 H HIS A 73 0.182 -11.466 22.363 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.129 -10.336 23.576 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.094 -11.462 24.655 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.808 -9.997 24.325 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.365 -7.639 25.804 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.798 -10.197 28.863 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.276 -7.792 28.241 1.00 0.00 H new ATOM 1052 N ILE A 74 0.045 -8.315 22.216 1.00 0.00 N ATOM 1053 CA ILE A 74 0.334 -6.995 21.762 1.00 0.00 C ATOM 1054 C ILE A 74 -0.638 -6.570 20.657 1.00 0.00 C ATOM 1055 O ILE A 74 -1.314 -5.556 20.797 1.00 0.00 O ATOM 1056 CB ILE A 74 1.802 -6.943 21.310 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.670 -7.195 22.545 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.136 -5.603 20.680 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.995 -7.814 22.247 1.00 0.00 C ATOM 0 H ILE A 74 0.743 -9.002 21.932 1.00 0.00 H new ATOM 0 HA ILE A 74 0.197 -6.280 22.573 1.00 0.00 H new ATOM 0 HB ILE A 74 1.988 -7.701 20.550 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.832 -6.248 23.061 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.125 -7.843 23.232 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.181 -5.597 20.370 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.499 -5.441 19.810 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.968 -4.808 21.406 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.546 -7.958 23.176 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.845 -8.778 21.760 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.563 -7.158 21.587 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.761 -7.388 19.600 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.690 -7.094 18.479 1.00 0.00 C ATOM 1073 C LEU A 75 -3.119 -6.910 18.957 1.00 0.00 C ATOM 1074 O LEU A 75 -3.815 -6.019 18.513 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.672 -8.210 17.431 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.432 -8.304 16.557 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.518 -9.528 15.655 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.274 -7.030 15.720 1.00 0.00 C ATOM 0 H LEU A 75 -0.235 -8.255 19.491 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.339 -6.163 18.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.799 -9.162 17.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.538 -8.081 16.781 1.00 0.00 H new ATOM 0 HG LEU A 75 0.443 -8.406 17.198 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.375 -9.585 15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.592 -10.427 16.267 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.399 -9.449 15.018 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.618 -7.111 15.099 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.149 -6.902 15.083 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.178 -6.169 16.382 1.00 0.00 H new ATOM 1090 N SER A 76 -3.530 -7.752 19.870 1.00 0.00 N ATOM 1091 CA SER A 76 -4.881 -7.757 20.400 1.00 0.00 C ATOM 1092 C SER A 76 -5.212 -6.435 21.139 1.00 0.00 C ATOM 1093 O SER A 76 -6.354 -5.982 21.124 1.00 0.00 O ATOM 1094 CB SER A 76 -5.052 -8.976 21.333 1.00 0.00 C ATOM 1095 OG SER A 76 -6.402 -9.209 21.683 1.00 0.00 O ATOM 0 H SER A 76 -2.929 -8.469 20.277 1.00 0.00 H new ATOM 0 HA SER A 76 -5.584 -7.835 19.571 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.649 -9.863 20.843 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.467 -8.820 22.240 1.00 0.00 H new ATOM 0 HG SER A 76 -6.457 -9.990 22.272 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.209 -5.793 21.714 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.448 -4.577 22.498 1.00 0.00 C ATOM 1103 C ASN A 77 -4.038 -3.320 21.761 1.00 0.00 C ATOM 1104 O ASN A 77 -4.391 -2.203 22.171 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.723 -4.625 23.858 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.338 -5.593 24.849 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.225 -5.220 25.630 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -3.866 -6.817 24.857 1.00 0.00 N ATOM 0 H ASN A 77 -3.232 -6.082 21.659 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.525 -4.541 22.664 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.682 -4.902 23.694 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.723 -3.626 24.294 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.230 -7.499 25.522 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.135 -7.086 24.198 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.303 -3.470 20.693 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.783 -2.317 19.999 1.00 0.00 C ATOM 1117 C ALA A 78 -3.708 -1.831 18.917 1.00 0.00 C ATOM 1118 O ALA A 78 -4.239 -2.621 18.135 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.373 -2.556 19.466 1.00 0.00 C ATOM 0 H ALA A 78 -3.051 -4.370 20.285 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.718 -1.520 20.739 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.022 -1.662 18.951 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.704 -2.783 20.296 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.385 -3.395 18.770 1.00 0.00 H new ATOM 1125 N VAL A 79 -3.907 -0.520 18.897 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.737 0.151 17.917 1.00 0.00 C ATOM 1127 C VAL A 79 -3.991 1.426 17.482 1.00 0.00 C ATOM 1128 O VAL A 79 -2.923 1.740 18.047 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.177 0.520 18.474 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.721 -0.526 19.347 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.278 1.871 19.112 1.00 0.00 C ATOM 0 H VAL A 79 -3.486 0.115 19.576 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.906 -0.523 17.077 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.801 0.578 17.582 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.707 -0.227 19.702 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.804 -1.459 18.789 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.057 -0.671 20.199 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.298 2.033 19.462 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.592 1.927 19.957 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.018 2.638 18.383 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.529 2.146 16.531 1.00 0.00 N ATOM 1142 CA GLY A 80 -3.911 3.344 16.045 1.00 0.00 C ATOM 1143 C GLY A 80 -3.177 3.065 14.776 1.00 0.00 C ATOM 1144 O GLY A 80 -3.456 2.056 14.113 1.00 0.00 O ATOM 0 H GLY A 80 -5.410 1.914 16.073 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.668 4.110 15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.223 3.737 16.793 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.278 3.947 14.413 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.419 3.728 13.287 1.00 0.00 C ATOM 1150 C GLU A 81 -0.348 2.763 13.729 1.00 0.00 C ATOM 1151 O GLU A 81 0.549 3.115 14.506 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.776 5.048 12.802 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.722 6.049 12.126 1.00 0.00 C ATOM 1154 CD GLU A 81 -2.856 6.524 13.003 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -2.637 7.419 13.863 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -3.987 6.021 12.859 1.00 0.00 O ATOM 0 H GLU A 81 -2.125 4.834 14.893 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.994 3.328 12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.311 5.538 13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.023 4.804 12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.144 6.914 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.139 5.589 11.231 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.432 1.566 13.256 1.00 0.00 N ATOM 1164 CA ILE A 82 0.466 0.541 13.691 1.00 0.00 C ATOM 1165 C ILE A 82 1.425 0.249 12.578 1.00 0.00 C ATOM 1166 O ILE A 82 1.029 -0.220 11.513 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.344 -0.746 14.073 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.351 -0.414 15.191 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.580 -1.898 14.501 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.305 -1.535 15.528 1.00 0.00 C ATOM 0 H ILE A 82 -1.118 1.268 12.562 1.00 0.00 H new ATOM 0 HA ILE A 82 1.018 0.869 14.572 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.884 -1.080 13.187 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.799 -0.141 16.090 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.929 0.461 14.894 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.021 -2.770 14.757 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.253 -2.149 13.681 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.164 -1.592 15.369 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.977 -1.214 16.324 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.888 -1.795 14.644 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.740 -2.406 15.859 1.00 0.00 H new ATOM 1182 N HIS A 83 2.688 0.507 12.828 1.00 0.00 N ATOM 1183 CA HIS A 83 3.707 0.272 11.844 1.00 0.00 C ATOM 1184 C HIS A 83 4.293 -1.018 12.168 1.00 0.00 C ATOM 1185 O HIS A 83 4.963 -1.186 13.191 1.00 0.00 O ATOM 1186 CB HIS A 83 4.800 1.359 11.837 1.00 0.00 C ATOM 1187 CG HIS A 83 4.362 2.715 11.356 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.875 3.313 10.226 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.470 3.596 11.865 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.315 4.491 10.061 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.459 4.685 11.038 1.00 0.00 N ATOM 0 H HIS A 83 3.031 0.882 13.712 1.00 0.00 H new ATOM 0 HA HIS A 83 3.264 0.293 10.849 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.193 1.461 12.849 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.623 1.018 11.209 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.877 3.464 12.758 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.524 5.182 9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.879 5.515 11.160 1.00 0.00 H new ATOM 1200 N MET A 84 4.025 -1.913 11.350 1.00 0.00 N ATOM 1201 CA MET A 84 4.401 -3.228 11.531 1.00 0.00 C ATOM 1202 C MET A 84 5.411 -3.513 10.461 1.00 0.00 C ATOM 1203 O MET A 84 5.266 -3.021 9.360 1.00 0.00 O ATOM 1204 CB MET A 84 3.154 -4.035 11.325 1.00 0.00 C ATOM 1205 CG MET A 84 3.076 -5.290 12.108 1.00 0.00 C ATOM 1206 SD MET A 84 1.545 -6.164 11.822 1.00 0.00 S ATOM 1207 CE MET A 84 1.679 -6.341 10.064 1.00 0.00 C ATOM 0 H MET A 84 3.509 -1.747 10.486 1.00 0.00 H new ATOM 0 HA MET A 84 4.829 -3.452 12.508 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.294 -3.415 11.577 1.00 0.00 H new ATOM 0 HB3 MET A 84 3.071 -4.281 10.266 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.915 -5.934 11.845 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.170 -5.061 13.170 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.013 -7.135 9.726 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.400 -5.404 9.582 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.706 -6.593 9.801 1.00 0.00 H new ATOM 1217 N LYS A 85 6.430 -4.250 10.744 1.00 0.00 N ATOM 1218 CA LYS A 85 7.426 -4.471 9.749 1.00 0.00 C ATOM 1219 C LYS A 85 7.521 -5.903 9.528 1.00 0.00 C ATOM 1220 O LYS A 85 7.548 -6.663 10.473 1.00 0.00 O ATOM 1221 CB LYS A 85 8.774 -3.832 10.110 1.00 0.00 C ATOM 1222 CG LYS A 85 8.675 -2.320 10.270 1.00 0.00 C ATOM 1223 CD LYS A 85 9.820 -1.625 9.572 1.00 0.00 C ATOM 1224 CE LYS A 85 11.126 -1.671 10.352 1.00 0.00 C ATOM 1225 NZ LYS A 85 11.093 -0.780 11.533 1.00 0.00 N ATOM 0 H LYS A 85 6.596 -4.705 11.642 1.00 0.00 H new ATOM 0 HA LYS A 85 7.135 -3.978 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.144 -4.269 11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.503 -4.066 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.728 -1.969 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.680 -2.062 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.973 -2.085 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.549 -0.584 9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.321 -2.694 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.949 -1.380 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.032 -0.761 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.832 0.182 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.392 -1.134 12.215 1.00 0.00 H new ATOM 1239 N THR A 86 7.478 -6.290 8.314 1.00 0.00 N ATOM 1240 CA THR A 86 7.456 -7.675 7.995 1.00 0.00 C ATOM 1241 C THR A 86 8.568 -8.000 7.020 1.00 0.00 C ATOM 1242 O THR A 86 9.001 -7.139 6.287 1.00 0.00 O ATOM 1243 CB THR A 86 6.082 -8.093 7.383 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.899 -7.501 6.085 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.920 -7.658 8.271 1.00 0.00 C ATOM 0 H THR A 86 7.457 -5.664 7.509 1.00 0.00 H new ATOM 0 HA THR A 86 7.604 -8.235 8.918 1.00 0.00 H new ATOM 0 HB THR A 86 6.092 -9.180 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.082 -6.540 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.979 -7.965 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.017 -8.124 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.933 -6.574 8.382 1.00 0.00 H new ATOM 1253 N MET A 87 9.030 -9.216 7.036 1.00 0.00 N ATOM 1254 CA MET A 87 10.041 -9.679 6.101 1.00 0.00 C ATOM 1255 C MET A 87 9.436 -10.862 5.368 1.00 0.00 C ATOM 1256 O MET A 87 8.410 -11.348 5.813 1.00 0.00 O ATOM 1257 CB MET A 87 11.304 -10.128 6.852 1.00 0.00 C ATOM 1258 CG MET A 87 11.953 -9.061 7.710 1.00 0.00 C ATOM 1259 SD MET A 87 13.515 -9.599 8.454 1.00 0.00 S ATOM 1260 CE MET A 87 14.538 -9.803 6.986 1.00 0.00 C ATOM 0 H MET A 87 8.721 -9.927 7.698 1.00 0.00 H new ATOM 0 HA MET A 87 10.329 -8.883 5.415 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.049 -10.977 7.486 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.034 -10.482 6.124 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.134 -8.175 7.102 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.262 -8.770 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.590 -9.780 7.270 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.310 -10.759 6.514 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.334 -8.994 6.285 1.00 0.00 H new ATOM 1270 N PRO A 88 10.033 -11.385 4.271 1.00 0.00 N ATOM 1271 CA PRO A 88 9.493 -12.567 3.532 1.00 0.00 C ATOM 1272 C PRO A 88 9.692 -13.892 4.304 1.00 0.00 C ATOM 1273 O PRO A 88 9.712 -14.976 3.724 1.00 0.00 O ATOM 1274 CB PRO A 88 10.322 -12.582 2.236 1.00 0.00 C ATOM 1275 CG PRO A 88 11.002 -11.255 2.187 1.00 0.00 C ATOM 1276 CD PRO A 88 11.234 -10.865 3.609 1.00 0.00 C ATOM 0 HA PRO A 88 8.417 -12.488 3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.047 -13.395 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.685 -12.730 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.943 -11.318 1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.384 -10.517 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.145 -11.309 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.328 -9.785 3.725 1.00 0.00 H new ATOM 1284 N ALA A 89 9.854 -13.754 5.617 1.00 0.00 N ATOM 1285 CA ALA A 89 10.013 -14.842 6.586 1.00 0.00 C ATOM 1286 C ALA A 89 11.373 -15.519 6.525 1.00 0.00 C ATOM 1287 O ALA A 89 11.639 -16.463 7.270 1.00 0.00 O ATOM 1288 CB ALA A 89 8.849 -15.824 6.557 1.00 0.00 C ATOM 0 H ALA A 89 9.880 -12.835 6.059 1.00 0.00 H new ATOM 0 HA ALA A 89 9.983 -14.368 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.017 -16.610 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.924 -15.298 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.772 -16.268 5.564 1.00 0.00 H new ATOM 1294 N ALA A 90 12.228 -15.008 5.687 1.00 0.00 N ATOM 1295 CA ALA A 90 13.570 -15.483 5.591 1.00 0.00 C ATOM 1296 C ALA A 90 14.408 -14.663 6.539 1.00 0.00 C ATOM 1297 O ALA A 90 14.728 -15.140 7.621 1.00 0.00 O ATOM 1298 CB ALA A 90 14.077 -15.362 4.165 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.625 -13.467 6.259 1.00 0.00 O ATOM 0 H ALA A 90 12.008 -14.244 5.048 1.00 0.00 H new ATOM 0 HA ALA A 90 13.626 -16.538 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.102 -15.729 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.445 -15.953 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.049 -14.317 3.856 1.00 0.00 H new