USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 14 ASN : amide:sc= -1.35! C(o=-1.6!,f=-6.8!) USER MOD Set 1.2: A 17 MET CE :methyl -129:sc= -0.223 (180deg=-2.04!) 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 31:sc= 1.12 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-3.2!) USER MOD Single : A 47 MET CE :methyl -142:sc= 0 (180deg=-0.0929) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.96 F(o=-3.1!,f=-2) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 49:sc= 0.655 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 71 HIS : no HD1:sc=-0.00751 X(o=-0.0075,f=-0.35) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 77 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 7:sc= 0.861! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.510 6.192 26.114 1.00 0.00 N ATOM 2 CA GLY A 1 -22.787 6.338 24.865 1.00 0.00 C ATOM 3 C GLY A 1 -23.681 6.780 23.724 1.00 0.00 C ATOM 4 O GLY A 1 -24.396 7.776 23.837 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.854 5.888 26.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.936 7.103 26.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.259 5.479 26.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.985 7.065 24.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.318 5.388 24.608 1.00 0.00 H new ATOM 8 N SER A 2 -23.641 6.039 22.621 1.00 0.00 N ATOM 9 CA SER A 2 -24.451 6.363 21.453 1.00 0.00 C ATOM 10 C SER A 2 -24.512 5.182 20.489 1.00 0.00 C ATOM 11 O SER A 2 -23.521 4.481 20.285 1.00 0.00 O ATOM 12 CB SER A 2 -23.883 7.591 20.737 1.00 0.00 C ATOM 13 OG SER A 2 -22.701 7.266 20.026 1.00 0.00 O ATOM 0 H SER A 2 -23.056 5.210 22.512 1.00 0.00 H new ATOM 0 HA SER A 2 -25.463 6.584 21.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.627 7.991 20.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.670 8.374 21.465 1.00 0.00 H new ATOM 0 HG SER A 2 -22.359 8.067 19.576 1.00 0.00 H new ATOM 19 N SER A 3 -25.684 4.967 19.899 1.00 0.00 N ATOM 20 CA SER A 3 -25.877 3.869 18.960 1.00 0.00 C ATOM 21 C SER A 3 -26.710 4.317 17.763 1.00 0.00 C ATOM 22 O SER A 3 -27.594 5.164 17.890 1.00 0.00 O ATOM 23 CB SER A 3 -26.556 2.688 19.656 1.00 0.00 C ATOM 24 OG SER A 3 -26.957 1.705 18.717 1.00 0.00 O ATOM 0 H SER A 3 -26.514 5.539 20.055 1.00 0.00 H new ATOM 0 HA SER A 3 -24.897 3.555 18.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.872 2.246 20.380 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.425 3.040 20.212 1.00 0.00 H new ATOM 0 HG SER A 3 -27.387 0.960 19.187 1.00 0.00 H new ATOM 30 N GLY A 4 -26.423 3.742 16.599 1.00 0.00 N ATOM 31 CA GLY A 4 -27.153 4.095 15.396 1.00 0.00 C ATOM 32 C GLY A 4 -26.478 3.587 14.138 1.00 0.00 C ATOM 33 O GLY A 4 -25.638 4.272 13.557 1.00 0.00 O ATOM 0 H GLY A 4 -25.697 3.037 16.468 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.162 3.686 15.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.251 5.179 15.339 1.00 0.00 H new ATOM 37 N SER A 5 -26.846 2.381 13.717 1.00 0.00 N ATOM 38 CA SER A 5 -26.265 1.778 12.523 1.00 0.00 C ATOM 39 C SER A 5 -27.106 0.598 12.046 1.00 0.00 C ATOM 40 O SER A 5 -27.391 -0.324 12.810 1.00 0.00 O ATOM 41 CB SER A 5 -24.833 1.319 12.802 1.00 0.00 C ATOM 42 OG SER A 5 -23.911 2.380 12.612 1.00 0.00 O ATOM 0 H SER A 5 -27.544 1.802 14.185 1.00 0.00 H new ATOM 0 HA SER A 5 -26.250 2.532 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.759 0.948 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.579 0.489 12.142 1.00 0.00 H new ATOM 0 HG SER A 5 -24.342 3.232 12.834 1.00 0.00 H new ATOM 48 N SER A 6 -27.501 0.634 10.777 1.00 0.00 N ATOM 49 CA SER A 6 -28.313 -0.429 10.199 1.00 0.00 C ATOM 50 C SER A 6 -27.771 -0.845 8.834 1.00 0.00 C ATOM 51 O SER A 6 -26.816 -0.257 8.328 1.00 0.00 O ATOM 52 CB SER A 6 -29.768 0.025 10.064 1.00 0.00 C ATOM 53 OG SER A 6 -30.369 0.189 11.337 1.00 0.00 O ATOM 0 H SER A 6 -27.271 1.388 10.130 1.00 0.00 H new ATOM 0 HA SER A 6 -28.269 -1.289 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.810 0.965 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.329 -0.708 9.485 1.00 0.00 H new ATOM 0 HG SER A 6 -31.298 0.481 11.225 1.00 0.00 H new ATOM 59 N GLY A 7 -28.389 -1.863 8.243 1.00 0.00 N ATOM 60 CA GLY A 7 -27.956 -2.341 6.943 1.00 0.00 C ATOM 61 C GLY A 7 -27.550 -3.802 6.968 1.00 0.00 C ATOM 62 O GLY A 7 -26.400 -4.144 7.244 1.00 0.00 O ATOM 0 H GLY A 7 -29.182 -2.365 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.762 -2.203 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.115 -1.739 6.600 1.00 0.00 H new ATOM 66 N PRO A 8 -28.510 -4.692 6.677 1.00 0.00 N ATOM 67 CA PRO A 8 -28.271 -6.138 6.661 1.00 0.00 C ATOM 68 C PRO A 8 -27.384 -6.566 5.497 1.00 0.00 C ATOM 69 O PRO A 8 -27.091 -7.751 5.330 1.00 0.00 O ATOM 70 CB PRO A 8 -29.674 -6.728 6.509 1.00 0.00 C ATOM 71 CG PRO A 8 -30.466 -5.656 5.841 1.00 0.00 C ATOM 72 CD PRO A 8 -29.903 -4.354 6.339 1.00 0.00 C ATOM 0 HA PRO A 8 -27.747 -6.474 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -29.658 -7.639 5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -30.100 -6.990 7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -30.383 -5.728 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -31.525 -5.743 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -29.954 -3.576 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -30.449 -3.986 7.207 1.00 0.00 H new ATOM 80 N ARG A 9 -26.958 -5.595 4.695 1.00 0.00 N ATOM 81 CA ARG A 9 -26.105 -5.873 3.546 1.00 0.00 C ATOM 82 C ARG A 9 -24.672 -5.420 3.811 1.00 0.00 C ATOM 83 O ARG A 9 -24.351 -4.240 3.678 1.00 0.00 O ATOM 84 CB ARG A 9 -26.649 -5.174 2.299 1.00 0.00 C ATOM 85 CG ARG A 9 -26.763 -3.666 2.446 1.00 0.00 C ATOM 86 CD ARG A 9 -27.862 -3.100 1.562 1.00 0.00 C ATOM 87 NE ARG A 9 -29.162 -3.110 2.229 1.00 0.00 N ATOM 88 CZ ARG A 9 -29.586 -2.134 3.023 1.00 0.00 C ATOM 89 NH1 ARG A 9 -28.820 -1.075 3.246 1.00 0.00 N ATOM 90 NH2 ARG A 9 -30.781 -2.214 3.595 1.00 0.00 N ATOM 0 H ARG A 9 -27.190 -4.610 4.820 1.00 0.00 H new ATOM 0 HA ARG A 9 -26.103 -6.950 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -25.999 -5.400 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -27.632 -5.583 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -26.967 -3.416 3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -25.811 -3.202 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -27.608 -2.079 1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -27.922 -3.681 0.642 1.00 0.00 H new ATOM 0 HE ARG A 9 -29.777 -3.910 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -27.902 -1.008 2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -29.149 -0.327 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -31.375 -3.026 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.106 -1.464 4.205 1.00 0.00 H new ATOM 104 N GLU A 10 -23.817 -6.366 4.185 1.00 0.00 N ATOM 105 CA GLU A 10 -22.419 -6.063 4.469 1.00 0.00 C ATOM 106 C GLU A 10 -21.604 -5.997 3.181 1.00 0.00 C ATOM 107 O GLU A 10 -21.803 -6.777 2.250 1.00 0.00 O ATOM 108 CB GLU A 10 -21.826 -7.117 5.408 1.00 0.00 C ATOM 109 CG GLU A 10 -22.074 -6.829 6.879 1.00 0.00 C ATOM 110 CD GLU A 10 -21.105 -7.561 7.787 1.00 0.00 C ATOM 111 OE1 GLU A 10 -19.995 -7.037 8.014 1.00 0.00 O ATOM 112 OE2 GLU A 10 -21.456 -8.658 8.270 1.00 0.00 O ATOM 0 H GLU A 10 -24.067 -7.348 4.298 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.377 -5.088 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.249 -8.091 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.752 -7.182 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.991 -5.756 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.094 -7.116 7.135 1.00 0.00 H new ATOM 119 N PRO A 11 -20.663 -5.042 3.125 1.00 0.00 N ATOM 120 CA PRO A 11 -19.799 -4.850 1.957 1.00 0.00 C ATOM 121 C PRO A 11 -18.796 -5.986 1.785 1.00 0.00 C ATOM 122 O PRO A 11 -18.456 -6.678 2.746 1.00 0.00 O ATOM 123 CB PRO A 11 -19.074 -3.538 2.264 1.00 0.00 C ATOM 124 CG PRO A 11 -19.087 -3.437 3.750 1.00 0.00 C ATOM 125 CD PRO A 11 -20.371 -4.076 4.198 1.00 0.00 C ATOM 0 HA PRO A 11 -20.368 -4.831 1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -18.055 -3.549 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -19.581 -2.689 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.226 -3.946 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -19.036 -2.396 4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -20.259 -4.569 5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -21.169 -3.342 4.306 1.00 0.00 H new ATOM 133 N VAL A 12 -18.323 -6.172 0.557 1.00 0.00 N ATOM 134 CA VAL A 12 -17.358 -7.222 0.261 1.00 0.00 C ATOM 135 C VAL A 12 -16.168 -7.160 1.212 1.00 0.00 C ATOM 136 O VAL A 12 -15.732 -6.079 1.608 1.00 0.00 O ATOM 137 CB VAL A 12 -16.847 -7.123 -1.189 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.132 -5.800 -1.414 1.00 0.00 C ATOM 139 CG2 VAL A 12 -15.932 -8.295 -1.513 1.00 0.00 C ATOM 0 H VAL A 12 -18.593 -5.608 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.875 -8.172 0.392 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.704 -7.164 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.778 -5.748 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.821 -4.977 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.283 -5.725 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.580 -8.209 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.078 -8.288 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.481 -9.229 -1.395 1.00 0.00 H new ATOM 149 N VAL A 13 -15.647 -8.328 1.576 1.00 0.00 N ATOM 150 CA VAL A 13 -14.505 -8.406 2.480 1.00 0.00 C ATOM 151 C VAL A 13 -13.224 -8.735 1.721 1.00 0.00 C ATOM 152 O VAL A 13 -13.108 -9.797 1.111 1.00 0.00 O ATOM 153 CB VAL A 13 -14.728 -9.468 3.573 1.00 0.00 C ATOM 154 CG1 VAL A 13 -13.397 -9.945 4.133 1.00 0.00 C ATOM 155 CG2 VAL A 13 -15.613 -8.914 4.680 1.00 0.00 C ATOM 0 H VAL A 13 -15.997 -9.232 1.259 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.404 -7.427 2.949 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.235 -10.324 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.574 -10.695 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.801 -10.382 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.860 -9.100 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.761 -9.677 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.135 -8.042 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.578 -8.626 4.264 1.00 0.00 H new ATOM 165 N ASN A 14 -12.264 -7.818 1.765 1.00 0.00 N ATOM 166 CA ASN A 14 -10.991 -8.009 1.081 1.00 0.00 C ATOM 167 C ASN A 14 -9.850 -8.151 2.085 1.00 0.00 C ATOM 168 O ASN A 14 -9.764 -7.394 3.052 1.00 0.00 O ATOM 169 CB ASN A 14 -10.712 -6.837 0.138 1.00 0.00 C ATOM 170 CG ASN A 14 -11.243 -5.523 0.676 1.00 0.00 C ATOM 171 OD1 ASN A 14 -12.370 -5.449 1.166 1.00 0.00 O ATOM 172 ND2 ASN A 14 -10.430 -4.476 0.589 1.00 0.00 N ATOM 0 H ASN A 14 -12.344 -6.934 2.268 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.056 -8.928 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.637 -6.752 -0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.166 -7.039 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.732 -3.566 0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.504 -4.583 0.175 1.00 0.00 H new ATOM 179 N ASP A 15 -8.977 -9.124 1.847 1.00 0.00 N ATOM 180 CA ASP A 15 -7.841 -9.363 2.729 1.00 0.00 C ATOM 181 C ASP A 15 -6.848 -8.207 2.661 1.00 0.00 C ATOM 182 O ASP A 15 -5.943 -8.106 3.490 1.00 0.00 O ATOM 183 CB ASP A 15 -7.145 -10.673 2.354 1.00 0.00 C ATOM 184 CG ASP A 15 -8.056 -11.876 2.502 1.00 0.00 C ATOM 185 OD1 ASP A 15 -8.877 -12.113 1.591 1.00 0.00 O ATOM 186 OD2 ASP A 15 -7.949 -12.579 3.529 1.00 0.00 O ATOM 0 H ASP A 15 -9.034 -9.759 1.051 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.214 -9.438 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.793 -10.612 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.266 -10.807 2.984 1.00 0.00 H new ATOM 191 N GLU A 16 -7.022 -7.340 1.669 1.00 0.00 N ATOM 192 CA GLU A 16 -6.140 -6.194 1.494 1.00 0.00 C ATOM 193 C GLU A 16 -6.702 -4.961 2.195 1.00 0.00 C ATOM 194 O GLU A 16 -6.870 -3.907 1.583 1.00 0.00 O ATOM 195 CB GLU A 16 -5.939 -5.900 0.006 1.00 0.00 C ATOM 196 CG GLU A 16 -4.956 -6.839 -0.674 1.00 0.00 C ATOM 197 CD GLU A 16 -5.570 -8.185 -1.006 1.00 0.00 C ATOM 198 OE1 GLU A 16 -6.788 -8.231 -1.274 1.00 0.00 O ATOM 199 OE2 GLU A 16 -4.830 -9.191 -0.998 1.00 0.00 O ATOM 0 H GLU A 16 -7.766 -7.410 0.975 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.177 -6.438 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.901 -5.966 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.587 -4.875 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.590 -6.375 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.093 -6.988 -0.025 1.00 0.00 H new ATOM 206 N MET A 17 -6.993 -5.103 3.485 1.00 0.00 N ATOM 207 CA MET A 17 -7.537 -4.001 4.270 1.00 0.00 C ATOM 208 C MET A 17 -6.546 -3.557 5.342 1.00 0.00 C ATOM 209 O MET A 17 -6.164 -4.341 6.212 1.00 0.00 O ATOM 210 CB MET A 17 -8.858 -4.414 4.921 1.00 0.00 C ATOM 211 CG MET A 17 -10.065 -4.229 4.015 1.00 0.00 C ATOM 212 SD MET A 17 -11.627 -4.337 4.909 1.00 0.00 S ATOM 213 CE MET A 17 -12.602 -3.113 4.037 1.00 0.00 C ATOM 0 H MET A 17 -6.861 -5.969 4.008 1.00 0.00 H new ATOM 0 HA MET A 17 -7.718 -3.163 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.795 -5.460 5.220 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.004 -3.831 5.830 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.999 -3.259 3.522 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.046 -4.987 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.051 -2.427 4.755 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.960 -2.556 3.354 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.389 -3.611 3.470 1.00 0.00 H new ATOM 223 N CYS A 18 -6.134 -2.296 5.274 1.00 0.00 N ATOM 224 CA CYS A 18 -5.188 -1.748 6.238 1.00 0.00 C ATOM 225 C CYS A 18 -5.406 -2.355 7.621 1.00 0.00 C ATOM 226 O CYS A 18 -6.542 -2.561 8.047 1.00 0.00 O ATOM 227 CB CYS A 18 -5.324 -0.226 6.309 1.00 0.00 C ATOM 228 SG CYS A 18 -3.997 0.597 7.248 1.00 0.00 S ATOM 0 H CYS A 18 -6.441 -1.634 4.561 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.181 -2.001 5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.339 0.174 5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.283 0.021 6.764 1.00 0.00 H new ATOM 233 N ASP A 19 -4.310 -2.636 8.317 1.00 0.00 N ATOM 234 CA ASP A 19 -4.381 -3.218 9.652 1.00 0.00 C ATOM 235 C ASP A 19 -4.627 -2.140 10.704 1.00 0.00 C ATOM 236 O ASP A 19 -4.789 -2.436 11.887 1.00 0.00 O ATOM 237 CB ASP A 19 -3.090 -3.974 9.973 1.00 0.00 C ATOM 238 CG ASP A 19 -1.858 -3.261 9.451 1.00 0.00 C ATOM 239 OD1 ASP A 19 -1.927 -2.032 9.245 1.00 0.00 O ATOM 240 OD2 ASP A 19 -0.825 -3.933 9.249 1.00 0.00 O ATOM 0 H ASP A 19 -3.362 -2.470 7.979 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.217 -3.917 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.004 -4.099 11.052 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.140 -4.973 9.539 1.00 0.00 H new ATOM 245 N VAL A 20 -4.652 -0.885 10.262 1.00 0.00 N ATOM 246 CA VAL A 20 -4.878 0.238 11.163 1.00 0.00 C ATOM 247 C VAL A 20 -6.141 1.003 10.782 1.00 0.00 C ATOM 248 O VAL A 20 -6.659 1.798 11.567 1.00 0.00 O ATOM 249 CB VAL A 20 -3.682 1.209 11.161 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.035 2.492 11.898 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.459 0.549 11.778 1.00 0.00 C ATOM 0 H VAL A 20 -4.518 -0.622 9.286 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.997 -0.178 12.164 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.446 1.465 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.178 3.166 11.886 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.881 2.973 11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.299 2.258 12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.624 1.249 11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.680 0.262 12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.195 -0.338 11.203 1.00 0.00 H new ATOM 261 N CYS A 21 -6.633 0.755 9.573 1.00 0.00 N ATOM 262 CA CYS A 21 -7.836 1.421 9.087 1.00 0.00 C ATOM 263 C CYS A 21 -8.866 0.400 8.610 1.00 0.00 C ATOM 264 O CYS A 21 -10.068 0.666 8.621 1.00 0.00 O ATOM 265 CB CYS A 21 -7.488 2.381 7.947 1.00 0.00 C ATOM 266 SG CYS A 21 -6.281 3.667 8.402 1.00 0.00 S ATOM 0 H CYS A 21 -6.218 0.098 8.912 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.266 1.989 9.912 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.092 1.806 7.110 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.402 2.862 7.599 1.00 0.00 H new ATOM 271 N GLU A 22 -8.386 -0.767 8.192 1.00 0.00 N ATOM 272 CA GLU A 22 -9.266 -1.826 7.712 1.00 0.00 C ATOM 273 C GLU A 22 -10.111 -1.340 6.538 1.00 0.00 C ATOM 274 O GLU A 22 -11.285 -1.690 6.417 1.00 0.00 O ATOM 275 CB GLU A 22 -10.175 -2.316 8.841 1.00 0.00 C ATOM 276 CG GLU A 22 -9.419 -2.759 10.082 1.00 0.00 C ATOM 277 CD GLU A 22 -9.073 -4.235 10.059 1.00 0.00 C ATOM 278 OE1 GLU A 22 -9.966 -5.050 9.746 1.00 0.00 O ATOM 279 OE2 GLU A 22 -7.908 -4.575 10.355 1.00 0.00 O ATOM 0 H GLU A 22 -7.394 -1.003 8.176 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.644 -2.654 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.866 -1.518 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.777 -3.148 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.502 -2.176 10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.021 -2.545 10.965 1.00 0.00 H new ATOM 286 N VAL A 23 -9.504 -0.531 5.675 1.00 0.00 N ATOM 287 CA VAL A 23 -10.200 0.002 4.509 1.00 0.00 C ATOM 288 C VAL A 23 -9.285 0.033 3.290 1.00 0.00 C ATOM 289 O VAL A 23 -8.073 0.205 3.415 1.00 0.00 O ATOM 290 CB VAL A 23 -10.731 1.424 4.775 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.770 1.407 5.885 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.585 2.363 5.120 1.00 0.00 C ATOM 0 H VAL A 23 -8.533 -0.231 5.761 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.042 -0.662 4.311 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.211 1.790 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.133 2.420 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.603 0.767 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.319 1.021 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.977 3.363 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.075 2.002 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.880 2.398 4.289 1.00 0.00 H new ATOM 302 N TRP A 24 -9.875 -0.135 2.112 1.00 0.00 N ATOM 303 CA TRP A 24 -9.112 -0.126 0.868 1.00 0.00 C ATOM 304 C TRP A 24 -9.573 1.005 -0.044 1.00 0.00 C ATOM 305 O TRP A 24 -10.424 1.812 0.331 1.00 0.00 O ATOM 306 CB TRP A 24 -9.255 -1.469 0.149 1.00 0.00 C ATOM 307 CG TRP A 24 -10.475 -1.552 -0.717 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.755 -1.797 -0.307 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.530 -1.393 -2.138 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.601 -1.800 -1.390 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.875 -1.553 -2.524 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.573 -1.128 -3.123 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -12.284 -1.459 -3.851 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.981 -1.035 -4.439 1.00 0.00 C ATOM 315 CH2 TRP A 24 -11.327 -1.199 -4.794 1.00 0.00 C ATOM 0 H TRP A 24 -10.878 -0.279 1.992 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.063 0.036 1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.370 -1.641 -0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.289 -2.268 0.890 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.057 -1.964 0.716 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.608 -1.960 -1.355 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.534 -0.998 -2.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.320 -1.587 -4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.250 -0.832 -5.208 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.614 -1.119 -5.832 1.00 0.00 H new ATOM 326 N THR A 25 -9.006 1.058 -1.246 1.00 0.00 N ATOM 327 CA THR A 25 -9.358 2.090 -2.212 1.00 0.00 C ATOM 328 C THR A 25 -9.025 1.651 -3.634 1.00 0.00 C ATOM 329 O THR A 25 -8.067 0.911 -3.855 1.00 0.00 O ATOM 330 CB THR A 25 -8.628 3.413 -1.912 1.00 0.00 C ATOM 331 OG1 THR A 25 -8.673 3.690 -0.508 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.257 4.565 -2.681 1.00 0.00 C ATOM 0 H THR A 25 -8.301 0.397 -1.573 1.00 0.00 H new ATOM 0 HA THR A 25 -10.433 2.248 -2.126 1.00 0.00 H new ATOM 0 HB THR A 25 -7.590 3.309 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.205 4.532 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.725 5.488 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.195 4.365 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.303 4.668 -2.391 1.00 0.00 H new ATOM 340 N ALA A 26 -9.822 2.111 -4.592 1.00 0.00 N ATOM 341 CA ALA A 26 -9.610 1.766 -5.992 1.00 0.00 C ATOM 342 C ALA A 26 -8.124 1.759 -6.337 1.00 0.00 C ATOM 343 O ALA A 26 -7.577 0.732 -6.737 1.00 0.00 O ATOM 344 CB ALA A 26 -10.357 2.738 -6.895 1.00 0.00 C ATOM 0 H ALA A 26 -10.620 2.723 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.000 0.761 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.189 2.468 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.424 2.692 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.993 3.750 -6.719 1.00 0.00 H new ATOM 350 N GLU A 27 -7.479 2.910 -6.178 1.00 0.00 N ATOM 351 CA GLU A 27 -6.056 3.034 -6.474 1.00 0.00 C ATOM 352 C GLU A 27 -5.250 1.981 -5.721 1.00 0.00 C ATOM 353 O GLU A 27 -5.798 1.213 -4.930 1.00 0.00 O ATOM 354 CB GLU A 27 -5.557 4.433 -6.108 1.00 0.00 C ATOM 355 CG GLU A 27 -5.623 4.733 -4.619 1.00 0.00 C ATOM 356 CD GLU A 27 -5.587 6.220 -4.321 1.00 0.00 C ATOM 357 OE1 GLU A 27 -6.667 6.844 -4.281 1.00 0.00 O ATOM 358 OE2 GLU A 27 -4.477 6.759 -4.128 1.00 0.00 O ATOM 0 H GLU A 27 -7.918 3.769 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.918 2.875 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.527 4.542 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.150 5.173 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.537 4.306 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.788 4.245 -4.117 1.00 0.00 H new ATOM 365 N SER A 28 -3.945 1.952 -5.972 1.00 0.00 N ATOM 366 CA SER A 28 -3.062 0.990 -5.321 1.00 0.00 C ATOM 367 C SER A 28 -2.946 1.282 -3.828 1.00 0.00 C ATOM 368 O SER A 28 -2.847 2.439 -3.416 1.00 0.00 O ATOM 369 CB SER A 28 -1.676 1.020 -5.967 1.00 0.00 C ATOM 370 OG SER A 28 -1.609 0.137 -7.073 1.00 0.00 O ATOM 0 H SER A 28 -3.475 2.583 -6.621 1.00 0.00 H new ATOM 0 HA SER A 28 -3.492 -0.004 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.445 2.034 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.922 0.743 -5.230 1.00 0.00 H new ATOM 0 HG SER A 28 -0.713 0.176 -7.469 1.00 0.00 H new ATOM 376 N LEU A 29 -2.960 0.227 -3.022 1.00 0.00 N ATOM 377 CA LEU A 29 -2.856 0.368 -1.574 1.00 0.00 C ATOM 378 C LEU A 29 -1.409 0.223 -1.115 1.00 0.00 C ATOM 379 O LEU A 29 -0.649 -0.572 -1.668 1.00 0.00 O ATOM 380 CB LEU A 29 -3.733 -0.674 -0.876 1.00 0.00 C ATOM 381 CG LEU A 29 -3.762 -0.612 0.651 1.00 0.00 C ATOM 382 CD1 LEU A 29 -4.055 0.804 1.123 1.00 0.00 C ATOM 383 CD2 LEU A 29 -4.793 -1.584 1.204 1.00 0.00 C ATOM 0 H LEU A 29 -3.042 -0.736 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.204 1.365 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.753 -0.566 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.391 -1.665 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.780 -0.902 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.072 0.828 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.280 1.477 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.024 1.123 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.800 -1.527 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.780 -1.325 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.539 -2.598 0.896 1.00 0.00 H new ATOM 395 N PHE A 30 -1.037 0.992 -0.097 1.00 0.00 N ATOM 396 CA PHE A 30 0.319 0.948 0.437 1.00 0.00 C ATOM 397 C PHE A 30 0.423 -0.068 1.571 1.00 0.00 C ATOM 398 O PHE A 30 -0.555 -0.378 2.253 1.00 0.00 O ATOM 399 CB PHE A 30 0.739 2.332 0.937 1.00 0.00 C ATOM 400 CG PHE A 30 1.103 3.283 -0.167 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.283 3.426 -1.275 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.266 4.033 -0.097 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.617 4.300 -2.292 1.00 0.00 C ATOM 404 CE2 PHE A 30 2.605 4.908 -1.111 1.00 0.00 C ATOM 405 CZ PHE A 30 1.779 5.043 -2.210 1.00 0.00 C ATOM 0 H PHE A 30 -1.655 1.653 0.374 1.00 0.00 H new ATOM 0 HA PHE A 30 0.989 0.641 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.075 2.761 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.591 2.224 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.627 2.848 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.915 3.932 0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.030 4.402 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.515 5.486 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.041 5.728 -3.003 1.00 0.00 H new ATOM 415 N PRO A 31 1.637 -0.600 1.779 1.00 0.00 N ATOM 416 CA PRO A 31 2.808 -0.239 0.974 1.00 0.00 C ATOM 417 C PRO A 31 2.713 -0.766 -0.454 1.00 0.00 C ATOM 418 O PRO A 31 2.932 -0.026 -1.415 1.00 0.00 O ATOM 419 CB PRO A 31 3.967 -0.909 1.716 1.00 0.00 C ATOM 420 CG PRO A 31 3.344 -2.049 2.444 1.00 0.00 C ATOM 421 CD PRO A 31 1.959 -1.595 2.816 1.00 0.00 C ATOM 0 HA PRO A 31 2.917 0.841 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.734 -1.254 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.449 -0.216 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.307 -2.940 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.922 -2.308 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.250 -2.423 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.934 -1.158 3.814 1.00 0.00 H new ATOM 429 N CYS A 32 2.387 -2.047 -0.587 1.00 0.00 N ATOM 430 CA CYS A 32 2.264 -2.673 -1.898 1.00 0.00 C ATOM 431 C CYS A 32 0.849 -3.200 -2.119 1.00 0.00 C ATOM 432 O CYS A 32 0.005 -3.135 -1.225 1.00 0.00 O ATOM 433 CB CYS A 32 3.272 -3.814 -2.039 1.00 0.00 C ATOM 434 SG CYS A 32 4.846 -3.526 -1.168 1.00 0.00 S ATOM 0 H CYS A 32 2.203 -2.672 0.198 1.00 0.00 H new ATOM 0 HA CYS A 32 2.474 -1.917 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.822 -4.731 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.478 -3.974 -3.097 1.00 0.00 H new ATOM 439 N ARG A 33 0.596 -3.722 -3.314 1.00 0.00 N ATOM 440 CA ARG A 33 -0.716 -4.258 -3.653 1.00 0.00 C ATOM 441 C ARG A 33 -0.764 -5.766 -3.415 1.00 0.00 C ATOM 442 O ARG A 33 -1.654 -6.268 -2.729 1.00 0.00 O ATOM 443 CB ARG A 33 -1.056 -3.951 -5.113 1.00 0.00 C ATOM 444 CG ARG A 33 -2.242 -4.741 -5.641 1.00 0.00 C ATOM 445 CD ARG A 33 -3.540 -4.305 -4.981 1.00 0.00 C ATOM 446 NE ARG A 33 -4.040 -3.048 -5.532 1.00 0.00 N ATOM 447 CZ ARG A 33 -5.303 -2.650 -5.428 1.00 0.00 C ATOM 448 NH1 ARG A 33 -6.190 -3.406 -4.796 1.00 0.00 N ATOM 449 NH2 ARG A 33 -5.681 -1.493 -5.956 1.00 0.00 N ATOM 0 H ARG A 33 1.284 -3.785 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.453 -3.780 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.266 -2.886 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.184 -4.163 -5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.318 -4.607 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.081 -5.804 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.292 -5.083 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.381 -4.193 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.383 -2.442 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.903 -4.296 -4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.159 -3.098 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.001 -0.908 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.651 -1.188 -5.876 1.00 0.00 H new ATOM 463 N VAL A 34 0.199 -6.481 -3.987 1.00 0.00 N ATOM 464 CA VAL A 34 0.267 -7.930 -3.837 1.00 0.00 C ATOM 465 C VAL A 34 0.439 -8.323 -2.375 1.00 0.00 C ATOM 466 O VAL A 34 -0.314 -9.143 -1.847 1.00 0.00 O ATOM 467 CB VAL A 34 1.427 -8.525 -4.658 1.00 0.00 C ATOM 468 CG1 VAL A 34 1.500 -10.032 -4.462 1.00 0.00 C ATOM 469 CG2 VAL A 34 1.270 -8.177 -6.130 1.00 0.00 C ATOM 0 H VAL A 34 0.943 -6.081 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.675 -8.332 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 34 2.362 -8.091 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.325 -10.436 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.662 -10.254 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.565 -10.487 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.098 -8.605 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.329 -8.583 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.271 -7.094 -6.250 1.00 0.00 H new ATOM 479 N CYS A 35 1.435 -7.734 -1.722 1.00 0.00 N ATOM 480 CA CYS A 35 1.709 -8.021 -0.320 1.00 0.00 C ATOM 481 C CYS A 35 0.422 -8.002 0.500 1.00 0.00 C ATOM 482 O CYS A 35 -0.026 -6.948 0.951 1.00 0.00 O ATOM 483 CB CYS A 35 2.702 -7.005 0.248 1.00 0.00 C ATOM 484 SG CYS A 35 4.436 -7.324 -0.212 1.00 0.00 S ATOM 0 H CYS A 35 2.067 -7.053 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 35 2.145 -9.018 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.423 -6.009 -0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.620 -7.001 1.335 1.00 0.00 H new ATOM 489 N THR A 36 -0.168 -9.178 0.691 1.00 0.00 N ATOM 490 CA THR A 36 -1.404 -9.298 1.455 1.00 0.00 C ATOM 491 C THR A 36 -1.459 -8.267 2.577 1.00 0.00 C ATOM 492 O THR A 36 -2.385 -7.460 2.647 1.00 0.00 O ATOM 493 CB THR A 36 -1.556 -10.706 2.060 1.00 0.00 C ATOM 494 OG1 THR A 36 -1.482 -11.694 1.026 1.00 0.00 O ATOM 495 CG2 THR A 36 -2.880 -10.838 2.799 1.00 0.00 C ATOM 0 H THR A 36 0.190 -10.061 0.327 1.00 0.00 H new ATOM 0 HA THR A 36 -2.224 -9.119 0.760 1.00 0.00 H new ATOM 0 HB THR A 36 -0.744 -10.861 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.578 -12.587 1.419 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.965 -11.841 3.218 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.922 -10.104 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.703 -10.664 2.106 1.00 0.00 H new ATOM 503 N ARG A 37 -0.460 -8.300 3.454 1.00 0.00 N ATOM 504 CA ARG A 37 -0.395 -7.369 4.573 1.00 0.00 C ATOM 505 C ARG A 37 -0.261 -5.932 4.078 1.00 0.00 C ATOM 506 O ARG A 37 0.814 -5.510 3.649 1.00 0.00 O ATOM 507 CB ARG A 37 0.781 -7.717 5.486 1.00 0.00 C ATOM 508 CG ARG A 37 0.689 -7.086 6.867 1.00 0.00 C ATOM 509 CD ARG A 37 -0.267 -7.852 7.767 1.00 0.00 C ATOM 510 NE ARG A 37 -0.196 -7.399 9.153 1.00 0.00 N ATOM 511 CZ ARG A 37 -1.166 -7.591 10.040 1.00 0.00 C ATOM 512 NH1 ARG A 37 -2.274 -8.227 9.687 1.00 0.00 N ATOM 513 NH2 ARG A 37 -1.027 -7.148 11.283 1.00 0.00 N ATOM 0 H ARG A 37 0.315 -8.962 3.410 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.323 -7.455 5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.838 -8.800 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.707 -7.395 5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.679 -7.061 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.354 -6.053 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.286 -7.733 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.034 -8.916 7.721 1.00 0.00 H new ATOM 0 HE ARG A 37 0.645 -6.908 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.383 -8.570 8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.018 -8.373 10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.175 -6.660 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.772 -7.296 11.963 1.00 0.00 H new ATOM 527 N VAL A 38 -1.358 -5.184 4.140 1.00 0.00 N ATOM 528 CA VAL A 38 -1.363 -3.796 3.698 1.00 0.00 C ATOM 529 C VAL A 38 -1.456 -2.842 4.884 1.00 0.00 C ATOM 530 O VAL A 38 -2.266 -3.039 5.790 1.00 0.00 O ATOM 531 CB VAL A 38 -2.534 -3.516 2.736 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.425 -4.388 1.495 1.00 0.00 C ATOM 533 CG2 VAL A 38 -3.865 -3.739 3.439 1.00 0.00 C ATOM 0 H VAL A 38 -2.255 -5.517 4.493 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.423 -3.629 3.172 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.484 -2.473 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.260 -4.177 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.487 -4.175 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.449 -5.438 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.681 -3.537 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.927 -4.772 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.941 -3.068 4.295 1.00 0.00 H new ATOM 543 N PHE A 39 -0.622 -1.808 4.871 1.00 0.00 N ATOM 544 CA PHE A 39 -0.609 -0.823 5.947 1.00 0.00 C ATOM 545 C PHE A 39 -0.162 0.541 5.429 1.00 0.00 C ATOM 546 O PHE A 39 0.906 0.671 4.831 1.00 0.00 O ATOM 547 CB PHE A 39 0.317 -1.281 7.075 1.00 0.00 C ATOM 548 CG PHE A 39 1.465 -2.127 6.604 1.00 0.00 C ATOM 549 CD1 PHE A 39 2.650 -1.540 6.190 1.00 0.00 C ATOM 550 CD2 PHE A 39 1.360 -3.507 6.575 1.00 0.00 C ATOM 551 CE1 PHE A 39 3.707 -2.315 5.754 1.00 0.00 C ATOM 552 CE2 PHE A 39 2.415 -4.289 6.141 1.00 0.00 C ATOM 553 CZ PHE A 39 3.590 -3.691 5.731 1.00 0.00 C ATOM 0 H PHE A 39 0.054 -1.630 4.128 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.624 -0.731 6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.710 -0.404 7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.264 -1.845 7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.748 -0.465 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.443 -3.979 6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.624 -1.845 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.320 -5.365 6.123 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.416 -4.298 5.393 1.00 0.00 H new ATOM 563 N HIS A 40 -0.987 1.557 5.665 1.00 0.00 N ATOM 564 CA HIS A 40 -0.678 2.912 5.222 1.00 0.00 C ATOM 565 C HIS A 40 0.607 3.415 5.875 1.00 0.00 C ATOM 566 O HIS A 40 0.762 3.350 7.094 1.00 0.00 O ATOM 567 CB HIS A 40 -1.835 3.855 5.552 1.00 0.00 C ATOM 568 CG HIS A 40 -3.169 3.346 5.104 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.359 3.967 5.422 1.00 0.00 N ATOM 570 CD2 HIS A 40 -3.500 2.266 4.357 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.361 3.292 4.891 1.00 0.00 C ATOM 572 NE2 HIS A 40 -4.868 2.255 4.239 1.00 0.00 N ATOM 0 H HIS A 40 -1.874 1.467 6.160 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.533 2.892 4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.862 4.021 6.629 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.649 4.822 5.085 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -4.450 4.816 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.815 1.547 3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.408 3.545 4.975 1.00 0.00 H new ATOM 580 N ASP A 41 1.525 3.916 5.054 1.00 0.00 N ATOM 581 CA ASP A 41 2.795 4.430 5.551 1.00 0.00 C ATOM 582 C ASP A 41 2.574 5.390 6.716 1.00 0.00 C ATOM 583 O ASP A 41 3.328 5.386 7.688 1.00 0.00 O ATOM 584 CB ASP A 41 3.557 5.138 4.429 1.00 0.00 C ATOM 585 CG ASP A 41 2.936 6.470 4.057 1.00 0.00 C ATOM 586 OD1 ASP A 41 1.691 6.546 3.986 1.00 0.00 O ATOM 587 OD2 ASP A 41 3.695 7.437 3.839 1.00 0.00 O ATOM 0 H ASP A 41 1.412 3.977 4.042 1.00 0.00 H new ATOM 0 HA ASP A 41 3.387 3.586 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.590 5.296 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.583 4.495 3.550 1.00 0.00 H new ATOM 592 N GLY A 42 1.535 6.214 6.609 1.00 0.00 N ATOM 593 CA GLY A 42 1.235 7.169 7.660 1.00 0.00 C ATOM 594 C GLY A 42 0.747 6.500 8.929 1.00 0.00 C ATOM 595 O GLY A 42 1.069 6.939 10.034 1.00 0.00 O ATOM 0 H GLY A 42 0.897 6.237 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.128 7.753 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.477 7.867 7.306 1.00 0.00 H new ATOM 599 N CYS A 43 -0.032 5.435 8.774 1.00 0.00 N ATOM 600 CA CYS A 43 -0.567 4.703 9.916 1.00 0.00 C ATOM 601 C CYS A 43 0.559 4.179 10.802 1.00 0.00 C ATOM 602 O CYS A 43 0.381 3.993 12.007 1.00 0.00 O ATOM 603 CB CYS A 43 -1.441 3.542 9.441 1.00 0.00 C ATOM 604 SG CYS A 43 -3.203 3.965 9.252 1.00 0.00 S ATOM 0 H CYS A 43 -0.307 5.059 7.867 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.177 5.390 10.503 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.060 3.182 8.485 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.350 2.719 10.150 1.00 0.00 H new ATOM 609 N LEU A 44 1.718 3.942 10.197 1.00 0.00 N ATOM 610 CA LEU A 44 2.874 3.438 10.930 1.00 0.00 C ATOM 611 C LEU A 44 3.571 4.564 11.687 1.00 0.00 C ATOM 612 O LEU A 44 3.693 4.520 12.912 1.00 0.00 O ATOM 613 CB LEU A 44 3.858 2.766 9.971 1.00 0.00 C ATOM 614 CG LEU A 44 3.298 1.621 9.127 1.00 0.00 C ATOM 615 CD1 LEU A 44 4.200 1.346 7.934 1.00 0.00 C ATOM 616 CD2 LEU A 44 3.131 0.367 9.973 1.00 0.00 C ATOM 0 H LEU A 44 1.882 4.091 9.201 1.00 0.00 H new ATOM 0 HA LEU A 44 2.523 2.702 11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.255 3.526 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.698 2.385 10.552 1.00 0.00 H new ATOM 0 HG LEU A 44 2.317 1.916 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.785 0.528 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.268 2.241 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.195 1.072 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.731 -0.438 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.099 0.069 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.443 0.571 10.794 1.00 0.00 H new ATOM 628 N ARG A 45 4.027 5.572 10.950 1.00 0.00 N ATOM 629 CA ARG A 45 4.711 6.710 11.551 1.00 0.00 C ATOM 630 C ARG A 45 3.848 7.355 12.632 1.00 0.00 C ATOM 631 O ARG A 45 4.341 7.720 13.699 1.00 0.00 O ATOM 632 CB ARG A 45 5.063 7.744 10.481 1.00 0.00 C ATOM 633 CG ARG A 45 3.902 8.652 10.105 1.00 0.00 C ATOM 634 CD ARG A 45 4.252 9.542 8.923 1.00 0.00 C ATOM 635 NE ARG A 45 3.113 10.349 8.490 1.00 0.00 N ATOM 636 CZ ARG A 45 3.223 11.409 7.698 1.00 0.00 C ATOM 637 NH1 ARG A 45 4.413 11.788 7.253 1.00 0.00 N ATOM 638 NH2 ARG A 45 2.141 12.092 7.349 1.00 0.00 N ATOM 0 H ARG A 45 3.935 5.623 9.935 1.00 0.00 H new ATOM 0 HA ARG A 45 5.630 6.347 12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.891 8.356 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.412 7.226 9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.029 8.046 9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.631 9.271 10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.079 10.198 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.595 8.924 8.093 1.00 0.00 H new ATOM 0 HE ARG A 45 2.183 10.083 8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.247 11.265 7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.494 12.603 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.224 11.803 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.226 12.906 6.741 1.00 0.00 H new ATOM 652 N ARG A 46 2.557 7.490 12.348 1.00 0.00 N ATOM 653 CA ARG A 46 1.625 8.092 13.295 1.00 0.00 C ATOM 654 C ARG A 46 1.518 7.249 14.562 1.00 0.00 C ATOM 655 O ARG A 46 2.001 7.642 15.623 1.00 0.00 O ATOM 656 CB ARG A 46 0.244 8.248 12.655 1.00 0.00 C ATOM 657 CG ARG A 46 -0.690 9.159 13.436 1.00 0.00 C ATOM 658 CD ARG A 46 -1.328 8.431 14.608 1.00 0.00 C ATOM 659 NE ARG A 46 -2.589 9.045 15.013 1.00 0.00 N ATOM 660 CZ ARG A 46 -3.722 8.916 14.331 1.00 0.00 C ATOM 661 NH1 ARG A 46 -3.751 8.198 13.217 1.00 0.00 N ATOM 662 NH2 ARG A 46 -4.829 9.506 14.764 1.00 0.00 N ATOM 0 H ARG A 46 2.132 7.191 11.470 1.00 0.00 H new ATOM 0 HA ARG A 46 2.006 9.077 13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.363 8.643 11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.216 7.265 12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.135 10.023 13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.469 9.537 12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.503 7.390 14.336 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.638 8.429 15.452 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.601 9.604 15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.902 7.743 12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.622 8.101 12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.810 10.059 15.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.698 9.407 14.240 1.00 0.00 H new ATOM 676 N MET A 47 0.882 6.089 14.443 1.00 0.00 N ATOM 677 CA MET A 47 0.711 5.190 15.579 1.00 0.00 C ATOM 678 C MET A 47 1.983 5.131 16.420 1.00 0.00 C ATOM 679 O MET A 47 1.954 5.380 17.624 1.00 0.00 O ATOM 680 CB MET A 47 0.340 3.787 15.096 1.00 0.00 C ATOM 681 CG MET A 47 -1.087 3.680 14.582 1.00 0.00 C ATOM 682 SD MET A 47 -2.262 3.251 15.880 1.00 0.00 S ATOM 683 CE MET A 47 -1.924 1.503 16.080 1.00 0.00 C ATOM 0 H MET A 47 0.476 5.749 13.571 1.00 0.00 H new ATOM 0 HA MET A 47 -0.097 5.578 16.199 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.027 3.491 14.303 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.476 3.081 15.915 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.379 4.629 14.132 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.130 2.927 13.795 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.858 0.970 16.258 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.453 1.118 15.176 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.255 1.356 16.928 1.00 0.00 H new ATOM 693 N GLY A 48 3.098 4.799 15.776 1.00 0.00 N ATOM 694 CA GLY A 48 4.364 4.713 16.481 1.00 0.00 C ATOM 695 C GLY A 48 5.159 3.481 16.097 1.00 0.00 C ATOM 696 O GLY A 48 5.679 2.774 16.960 1.00 0.00 O ATOM 0 H GLY A 48 3.147 4.588 14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.955 5.604 16.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.178 4.702 17.555 1.00 0.00 H new ATOM 700 N TYR A 49 5.252 3.222 14.797 1.00 0.00 N ATOM 701 CA TYR A 49 5.987 2.065 14.300 1.00 0.00 C ATOM 702 C TYR A 49 7.315 2.487 13.678 1.00 0.00 C ATOM 703 O TYR A 49 8.329 1.807 13.832 1.00 0.00 O ATOM 704 CB TYR A 49 5.148 1.307 13.270 1.00 0.00 C ATOM 705 CG TYR A 49 4.177 0.323 13.886 1.00 0.00 C ATOM 706 CD1 TYR A 49 4.625 -0.867 14.444 1.00 0.00 C ATOM 707 CD2 TYR A 49 2.813 0.585 13.907 1.00 0.00 C ATOM 708 CE1 TYR A 49 3.741 -1.769 15.007 1.00 0.00 C ATOM 709 CE2 TYR A 49 1.923 -0.309 14.469 1.00 0.00 C ATOM 710 CZ TYR A 49 2.392 -1.485 15.017 1.00 0.00 C ATOM 711 OH TYR A 49 1.509 -2.379 15.577 1.00 0.00 O ATOM 0 H TYR A 49 4.828 3.797 14.069 1.00 0.00 H new ATOM 0 HA TYR A 49 6.195 1.409 15.145 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.592 2.025 12.668 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.815 0.772 12.594 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.681 -1.092 14.438 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.442 1.503 13.476 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.105 -2.691 15.436 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.866 -0.089 14.479 1.00 0.00 H new ATOM 0 HH TYR A 49 0.597 -2.028 15.503 1.00 0.00 H new ATOM 721 N ILE A 50 7.299 3.616 12.977 1.00 0.00 N ATOM 722 CA ILE A 50 8.501 4.131 12.334 1.00 0.00 C ATOM 723 C ILE A 50 9.132 5.248 13.159 1.00 0.00 C ATOM 724 O ILE A 50 10.198 5.069 13.748 1.00 0.00 O ATOM 725 CB ILE A 50 8.199 4.663 10.919 1.00 0.00 C ATOM 726 CG1 ILE A 50 7.024 3.900 10.304 1.00 0.00 C ATOM 727 CG2 ILE A 50 9.433 4.549 10.036 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.755 4.266 8.861 1.00 0.00 C ATOM 0 H ILE A 50 6.468 4.191 12.840 1.00 0.00 H new ATOM 0 HA ILE A 50 9.200 3.298 12.260 1.00 0.00 H new ATOM 0 HB ILE A 50 7.925 5.715 10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.223 2.830 10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.127 4.094 10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.204 4.928 9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.245 5.133 10.469 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.735 3.504 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.909 3.687 8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.525 5.329 8.792 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.637 4.046 8.259 1.00 0.00 H new ATOM 740 N GLN A 51 8.464 6.396 13.200 1.00 0.00 N ATOM 741 CA GLN A 51 8.959 7.540 13.956 1.00 0.00 C ATOM 742 C GLN A 51 10.475 7.663 13.828 1.00 0.00 C ATOM 743 O GLN A 51 11.172 7.917 14.809 1.00 0.00 O ATOM 744 CB GLN A 51 8.569 7.412 15.429 1.00 0.00 C ATOM 745 CG GLN A 51 8.385 8.750 16.128 1.00 0.00 C ATOM 746 CD GLN A 51 7.871 8.601 17.547 1.00 0.00 C ATOM 747 OE1 GLN A 51 8.586 8.877 18.511 1.00 0.00 O ATOM 748 NE2 GLN A 51 6.624 8.165 17.682 1.00 0.00 N ATOM 0 H GLN A 51 7.579 6.559 12.719 1.00 0.00 H new ATOM 0 HA GLN A 51 8.503 8.440 13.544 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.643 6.842 15.503 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.337 6.841 15.951 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.337 9.281 16.144 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.688 9.362 15.555 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.067 7.948 16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.223 8.047 18.612 1.00 0.00 H new ATOM 757 N GLY A 52 10.977 7.479 12.611 1.00 0.00 N ATOM 758 CA GLY A 52 12.406 7.573 12.377 1.00 0.00 C ATOM 759 C GLY A 52 12.760 8.644 11.363 1.00 0.00 C ATOM 760 O GLY A 52 12.061 8.815 10.363 1.00 0.00 O ATOM 0 H GLY A 52 10.420 7.267 11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.912 7.788 13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 52 12.778 6.610 12.028 1.00 0.00 H new ATOM 764 N ASP A 53 13.843 9.366 11.621 1.00 0.00 N ATOM 765 CA ASP A 53 14.287 10.425 10.723 1.00 0.00 C ATOM 766 C ASP A 53 14.824 9.843 9.419 1.00 0.00 C ATOM 767 O ASP A 53 16.014 9.549 9.302 1.00 0.00 O ATOM 768 CB ASP A 53 15.365 11.277 11.397 1.00 0.00 C ATOM 769 CG ASP A 53 15.790 12.455 10.543 1.00 0.00 C ATOM 770 OD1 ASP A 53 14.979 12.909 9.709 1.00 0.00 O ATOM 771 OD2 ASP A 53 16.937 12.922 10.708 1.00 0.00 O ATOM 0 H ASP A 53 14.430 9.238 12.445 1.00 0.00 H new ATOM 0 HA ASP A 53 13.428 11.055 10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.990 11.642 12.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.234 10.655 11.611 1.00 0.00 H new ATOM 776 N SER A 54 13.939 9.680 8.441 1.00 0.00 N ATOM 777 CA SER A 54 14.322 9.128 7.147 1.00 0.00 C ATOM 778 C SER A 54 14.134 10.160 6.039 1.00 0.00 C ATOM 779 O SER A 54 13.666 9.838 4.948 1.00 0.00 O ATOM 780 CB SER A 54 13.499 7.876 6.839 1.00 0.00 C ATOM 781 OG SER A 54 12.130 8.196 6.663 1.00 0.00 O ATOM 0 H SER A 54 12.951 9.922 8.520 1.00 0.00 H new ATOM 0 HA SER A 54 15.377 8.858 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.883 7.398 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.606 7.158 7.652 1.00 0.00 H new ATOM 0 HG SER A 54 11.626 7.379 6.466 1.00 0.00 H new ATOM 787 N ALA A 55 14.504 11.404 6.329 1.00 0.00 N ATOM 788 CA ALA A 55 14.379 12.483 5.358 1.00 0.00 C ATOM 789 C ALA A 55 14.827 12.030 3.972 1.00 0.00 C ATOM 790 O ALA A 55 15.979 11.645 3.777 1.00 0.00 O ATOM 791 CB ALA A 55 15.186 13.693 5.806 1.00 0.00 C ATOM 0 H ALA A 55 14.892 11.688 7.228 1.00 0.00 H new ATOM 0 HA ALA A 55 13.327 12.763 5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.083 14.491 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.817 14.039 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 55 16.236 13.416 5.897 1.00 0.00 H new ATOM 797 N ALA A 56 13.907 12.079 3.013 1.00 0.00 N ATOM 798 CA ALA A 56 14.208 11.675 1.646 1.00 0.00 C ATOM 799 C ALA A 56 13.585 12.637 0.640 1.00 0.00 C ATOM 800 O ALA A 56 12.686 13.405 0.978 1.00 0.00 O ATOM 801 CB ALA A 56 13.720 10.256 1.395 1.00 0.00 C ATOM 0 H ALA A 56 12.948 12.394 3.158 1.00 0.00 H new ATOM 0 HA ALA A 56 15.290 11.703 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.952 9.968 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.216 9.573 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.642 10.209 1.550 1.00 0.00 H new ATOM 807 N GLU A 57 14.068 12.587 -0.598 1.00 0.00 N ATOM 808 CA GLU A 57 13.559 13.456 -1.652 1.00 0.00 C ATOM 809 C GLU A 57 12.468 12.753 -2.456 1.00 0.00 C ATOM 810 O GLU A 57 12.397 12.888 -3.678 1.00 0.00 O ATOM 811 CB GLU A 57 14.694 13.888 -2.582 1.00 0.00 C ATOM 812 CG GLU A 57 15.830 14.598 -1.864 1.00 0.00 C ATOM 813 CD GLU A 57 15.369 15.840 -1.126 1.00 0.00 C ATOM 814 OE1 GLU A 57 14.615 15.698 -0.140 1.00 0.00 O ATOM 815 OE2 GLU A 57 15.761 16.952 -1.533 1.00 0.00 O ATOM 0 H GLU A 57 14.811 11.954 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 57 13.129 14.340 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.090 13.009 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.292 14.548 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.293 13.911 -1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.596 14.874 -2.588 1.00 0.00 H new ATOM 822 N VAL A 58 11.620 12.001 -1.761 1.00 0.00 N ATOM 823 CA VAL A 58 10.533 11.277 -2.409 1.00 0.00 C ATOM 824 C VAL A 58 9.288 11.253 -1.530 1.00 0.00 C ATOM 825 O VAL A 58 9.369 11.016 -0.324 1.00 0.00 O ATOM 826 CB VAL A 58 10.942 9.829 -2.740 1.00 0.00 C ATOM 827 CG1 VAL A 58 11.330 9.081 -1.473 1.00 0.00 C ATOM 828 CG2 VAL A 58 9.816 9.111 -3.468 1.00 0.00 C ATOM 0 H VAL A 58 11.665 11.877 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 58 10.310 11.805 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 58 11.811 9.856 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.616 8.060 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.170 9.585 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.482 9.061 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.122 8.090 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.928 9.092 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.590 9.636 -4.396 1.00 0.00 H new ATOM 838 N THR A 59 8.133 11.501 -2.142 1.00 0.00 N ATOM 839 CA THR A 59 6.870 11.509 -1.415 1.00 0.00 C ATOM 840 C THR A 59 6.266 10.110 -1.346 1.00 0.00 C ATOM 841 O THR A 59 6.279 9.472 -0.295 1.00 0.00 O ATOM 842 CB THR A 59 5.853 12.462 -2.070 1.00 0.00 C ATOM 843 OG1 THR A 59 6.416 13.773 -2.189 1.00 0.00 O ATOM 844 CG2 THR A 59 4.570 12.529 -1.254 1.00 0.00 C ATOM 0 H THR A 59 8.047 11.699 -3.139 1.00 0.00 H new ATOM 0 HA THR A 59 7.088 11.858 -0.406 1.00 0.00 H new ATOM 0 HB THR A 59 5.615 12.077 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.764 14.372 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.867 13.208 -1.736 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.128 11.535 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.795 12.892 -0.251 1.00 0.00 H new ATOM 852 N GLU A 60 5.739 9.641 -2.473 1.00 0.00 N ATOM 853 CA GLU A 60 5.131 8.318 -2.538 1.00 0.00 C ATOM 854 C GLU A 60 5.386 7.667 -3.895 1.00 0.00 C ATOM 855 O GLU A 60 4.860 8.109 -4.915 1.00 0.00 O ATOM 856 CB GLU A 60 3.626 8.411 -2.280 1.00 0.00 C ATOM 857 CG GLU A 60 3.265 8.495 -0.807 1.00 0.00 C ATOM 858 CD GLU A 60 1.771 8.390 -0.566 1.00 0.00 C ATOM 859 OE1 GLU A 60 1.112 7.596 -1.269 1.00 0.00 O ATOM 860 OE2 GLU A 60 1.263 9.101 0.327 1.00 0.00 O ATOM 0 H GLU A 60 5.721 10.158 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 60 5.588 7.699 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.232 9.288 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.137 7.540 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.774 7.697 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.630 9.438 -0.401 1.00 0.00 H new ATOM 867 N MET A 61 6.199 6.616 -3.896 1.00 0.00 N ATOM 868 CA MET A 61 6.525 5.904 -5.127 1.00 0.00 C ATOM 869 C MET A 61 6.300 4.405 -4.963 1.00 0.00 C ATOM 870 O MET A 61 7.138 3.595 -5.360 1.00 0.00 O ATOM 871 CB MET A 61 7.977 6.173 -5.528 1.00 0.00 C ATOM 872 CG MET A 61 8.191 7.542 -6.154 1.00 0.00 C ATOM 873 SD MET A 61 7.879 7.548 -7.931 1.00 0.00 S ATOM 874 CE MET A 61 6.557 8.752 -8.038 1.00 0.00 C ATOM 0 H MET A 61 6.644 6.238 -3.059 1.00 0.00 H new ATOM 0 HA MET A 61 5.865 6.269 -5.914 1.00 0.00 H new ATOM 0 HB2 MET A 61 8.612 6.082 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 61 8.299 5.406 -6.232 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.534 8.265 -5.671 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.215 7.867 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.253 8.867 -9.078 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.706 8.412 -7.447 1.00 0.00 H new ATOM 0 HE3 MET A 61 6.906 9.710 -7.654 1.00 0.00 H new ATOM 884 N ALA A 62 5.164 4.041 -4.376 1.00 0.00 N ATOM 885 CA ALA A 62 4.829 2.640 -4.162 1.00 0.00 C ATOM 886 C ALA A 62 3.849 2.142 -5.219 1.00 0.00 C ATOM 887 O ALA A 62 4.049 1.084 -5.817 1.00 0.00 O ATOM 888 CB ALA A 62 4.250 2.442 -2.769 1.00 0.00 C ATOM 0 H ALA A 62 4.460 4.699 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 62 5.745 2.056 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.004 1.390 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.983 2.750 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.348 3.044 -2.661 1.00 0.00 H new ATOM 894 N HIS A 63 2.788 2.910 -5.445 1.00 0.00 N ATOM 895 CA HIS A 63 1.776 2.546 -6.430 1.00 0.00 C ATOM 896 C HIS A 63 2.416 1.887 -7.649 1.00 0.00 C ATOM 897 O HIS A 63 2.059 0.770 -8.025 1.00 0.00 O ATOM 898 CB HIS A 63 0.985 3.782 -6.860 1.00 0.00 C ATOM 899 CG HIS A 63 0.218 3.589 -8.133 1.00 0.00 C ATOM 900 ND1 HIS A 63 0.643 3.329 -9.391 1.00 0.00 N flip ATOM 901 CD2 HIS A 63 -1.157 3.660 -8.200 1.00 0.00 C flip ATOM 902 CE1 HIS A 63 -0.473 3.246 -10.187 1.00 0.00 C flip ATOM 903 NE2 HIS A 63 -1.546 3.450 -9.445 1.00 0.00 N flip ATOM 0 H HIS A 63 2.607 3.788 -4.959 1.00 0.00 H new ATOM 0 HA HIS A 63 1.095 1.831 -5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.291 4.054 -6.065 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.673 4.619 -6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.814 3.857 -7.365 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.473 3.046 -11.248 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.511 3.446 -9.776 1.00 0.00 H new ATOM 911 N THR A 64 3.366 2.587 -8.263 1.00 0.00 N ATOM 912 CA THR A 64 4.054 2.072 -9.439 1.00 0.00 C ATOM 913 C THR A 64 4.416 0.601 -9.265 1.00 0.00 C ATOM 914 O THR A 64 4.640 0.137 -8.147 1.00 0.00 O ATOM 915 CB THR A 64 5.336 2.872 -9.736 1.00 0.00 C ATOM 916 OG1 THR A 64 6.203 2.849 -8.597 1.00 0.00 O ATOM 917 CG2 THR A 64 5.003 4.313 -10.096 1.00 0.00 C ATOM 0 H THR A 64 3.676 3.512 -7.964 1.00 0.00 H new ATOM 0 HA THR A 64 3.366 2.178 -10.278 1.00 0.00 H new ATOM 0 HB THR A 64 5.839 2.408 -10.585 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.016 3.358 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.924 4.859 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.366 4.329 -10.981 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.480 4.784 -9.264 1.00 0.00 H new ATOM 925 N GLU A 65 4.473 -0.126 -10.376 1.00 0.00 N ATOM 926 CA GLU A 65 4.808 -1.544 -10.343 1.00 0.00 C ATOM 927 C GLU A 65 6.159 -1.770 -9.670 1.00 0.00 C ATOM 928 O GLU A 65 6.272 -2.546 -8.721 1.00 0.00 O ATOM 929 CB GLU A 65 4.832 -2.119 -11.762 1.00 0.00 C ATOM 930 CG GLU A 65 5.165 -3.600 -11.814 1.00 0.00 C ATOM 931 CD GLU A 65 5.797 -4.010 -13.129 1.00 0.00 C ATOM 932 OE1 GLU A 65 5.049 -4.208 -14.110 1.00 0.00 O ATOM 933 OE2 GLU A 65 7.038 -4.134 -13.179 1.00 0.00 O ATOM 0 H GLU A 65 4.292 0.243 -11.309 1.00 0.00 H new ATOM 0 HA GLU A 65 4.042 -2.057 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.859 -1.958 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.563 -1.570 -12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.844 -3.845 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.255 -4.179 -11.657 1.00 0.00 H new ATOM 940 N THR A 66 7.183 -1.084 -10.168 1.00 0.00 N ATOM 941 CA THR A 66 8.527 -1.208 -9.617 1.00 0.00 C ATOM 942 C THR A 66 8.910 0.030 -8.816 1.00 0.00 C ATOM 943 O THR A 66 9.558 0.940 -9.332 1.00 0.00 O ATOM 944 CB THR A 66 9.572 -1.430 -10.728 1.00 0.00 C ATOM 945 OG1 THR A 66 9.493 -0.374 -11.692 1.00 0.00 O ATOM 946 CG2 THR A 66 9.353 -2.770 -11.416 1.00 0.00 C ATOM 0 H THR A 66 7.107 -0.436 -10.952 1.00 0.00 H new ATOM 0 HA THR A 66 8.518 -2.076 -8.957 1.00 0.00 H new ATOM 0 HB THR A 66 10.562 -1.431 -10.272 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.484 0.490 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.102 -2.905 -12.196 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.442 -3.573 -10.685 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.358 -2.793 -11.860 1.00 0.00 H new ATOM 954 N GLY A 67 8.505 0.058 -7.549 1.00 0.00 N ATOM 955 CA GLY A 67 8.816 1.191 -6.696 1.00 0.00 C ATOM 956 C GLY A 67 9.432 0.770 -5.376 1.00 0.00 C ATOM 957 O GLY A 67 10.540 0.234 -5.343 1.00 0.00 O ATOM 0 H GLY A 67 7.968 -0.683 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.503 1.857 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.905 1.758 -6.504 1.00 0.00 H new ATOM 961 N TRP A 68 8.713 1.014 -4.287 1.00 0.00 N ATOM 962 CA TRP A 68 9.196 0.659 -2.957 1.00 0.00 C ATOM 963 C TRP A 68 8.615 -0.676 -2.505 1.00 0.00 C ATOM 964 O TRP A 68 7.418 -0.923 -2.653 1.00 0.00 O ATOM 965 CB TRP A 68 8.836 1.753 -1.951 1.00 0.00 C ATOM 966 CG TRP A 68 9.614 3.019 -2.146 1.00 0.00 C ATOM 967 CD1 TRP A 68 9.309 4.046 -2.992 1.00 0.00 C ATOM 968 CD2 TRP A 68 10.827 3.390 -1.481 1.00 0.00 C ATOM 969 NE1 TRP A 68 10.259 5.033 -2.894 1.00 0.00 N ATOM 970 CE2 TRP A 68 11.201 4.656 -1.973 1.00 0.00 C ATOM 971 CE3 TRP A 68 11.632 2.778 -0.517 1.00 0.00 C ATOM 972 CZ2 TRP A 68 12.345 5.316 -1.533 1.00 0.00 C ATOM 973 CZ3 TRP A 68 12.767 3.434 -0.082 1.00 0.00 C ATOM 974 CH2 TRP A 68 13.115 4.693 -0.590 1.00 0.00 C ATOM 0 H TRP A 68 7.794 1.456 -4.298 1.00 0.00 H new ATOM 0 HA TRP A 68 10.281 0.564 -3.006 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.771 1.973 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 68 9.010 1.380 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 68 8.448 4.078 -3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 68 10.263 5.906 -3.422 1.00 0.00 H new ATOM 0 HE3 TRP A 68 11.371 1.809 -0.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 12.615 6.286 -1.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 13.397 2.969 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.009 5.181 -0.230 1.00 0.00 H new ATOM 985 N SER A 69 9.469 -1.534 -1.955 1.00 0.00 N ATOM 986 CA SER A 69 9.040 -2.845 -1.485 1.00 0.00 C ATOM 987 C SER A 69 9.037 -2.902 0.039 1.00 0.00 C ATOM 988 O SER A 69 10.075 -2.735 0.680 1.00 0.00 O ATOM 989 CB SER A 69 9.954 -3.936 -2.047 1.00 0.00 C ATOM 990 OG SER A 69 11.260 -3.437 -2.281 1.00 0.00 O ATOM 0 H SER A 69 10.463 -1.344 -1.824 1.00 0.00 H new ATOM 0 HA SER A 69 8.023 -3.016 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.000 -4.771 -1.348 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.536 -4.321 -2.977 1.00 0.00 H new ATOM 0 HG SER A 69 11.825 -4.154 -2.638 1.00 0.00 H new ATOM 996 N CYS A 70 7.863 -3.140 0.614 1.00 0.00 N ATOM 997 CA CYS A 70 7.722 -3.218 2.063 1.00 0.00 C ATOM 998 C CYS A 70 8.753 -4.173 2.659 1.00 0.00 C ATOM 999 O CYS A 70 9.484 -4.847 1.931 1.00 0.00 O ATOM 1000 CB CYS A 70 6.311 -3.679 2.435 1.00 0.00 C ATOM 1001 SG CYS A 70 5.993 -5.441 2.106 1.00 0.00 S ATOM 0 H CYS A 70 6.995 -3.282 0.098 1.00 0.00 H new ATOM 0 HA CYS A 70 7.893 -2.223 2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.144 -3.482 3.494 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.587 -3.081 1.881 1.00 0.00 H new ATOM 1006 N HIS A 71 8.807 -4.225 3.986 1.00 0.00 N ATOM 1007 CA HIS A 71 9.748 -5.097 4.680 1.00 0.00 C ATOM 1008 C HIS A 71 9.414 -6.565 4.430 1.00 0.00 C ATOM 1009 O HIS A 71 10.284 -7.358 4.070 1.00 0.00 O ATOM 1010 CB HIS A 71 9.734 -4.806 6.181 1.00 0.00 C ATOM 1011 CG HIS A 71 10.439 -5.844 6.999 1.00 0.00 C ATOM 1012 ND1 HIS A 71 11.809 -6.004 6.992 1.00 0.00 N ATOM 1013 CD2 HIS A 71 9.956 -6.777 7.852 1.00 0.00 C ATOM 1014 CE1 HIS A 71 12.138 -6.991 7.806 1.00 0.00 C ATOM 1015 NE2 HIS A 71 11.032 -7.478 8.340 1.00 0.00 N ATOM 0 H HIS A 71 8.210 -3.673 4.602 1.00 0.00 H new ATOM 0 HA HIS A 71 10.746 -4.898 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.200 -3.837 6.359 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.700 -4.730 6.518 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.918 -6.940 8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.141 -7.341 8.002 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.985 -8.249 9.006 1.00 0.00 H new ATOM 1023 N TYR A 72 8.148 -6.920 4.624 1.00 0.00 N ATOM 1024 CA TYR A 72 7.699 -8.292 4.424 1.00 0.00 C ATOM 1025 C TYR A 72 8.307 -8.883 3.155 1.00 0.00 C ATOM 1026 O TYR A 72 9.004 -9.897 3.200 1.00 0.00 O ATOM 1027 CB TYR A 72 6.173 -8.345 4.346 1.00 0.00 C ATOM 1028 CG TYR A 72 5.500 -8.429 5.696 1.00 0.00 C ATOM 1029 CD1 TYR A 72 5.610 -9.570 6.481 1.00 0.00 C ATOM 1030 CD2 TYR A 72 4.753 -7.365 6.190 1.00 0.00 C ATOM 1031 CE1 TYR A 72 4.996 -9.650 7.716 1.00 0.00 C ATOM 1032 CE2 TYR A 72 4.137 -7.436 7.424 1.00 0.00 C ATOM 1033 CZ TYR A 72 4.261 -8.581 8.183 1.00 0.00 C ATOM 1034 OH TYR A 72 3.649 -8.657 9.413 1.00 0.00 O ATOM 0 H TYR A 72 7.415 -6.276 4.920 1.00 0.00 H new ATOM 0 HA TYR A 72 8.032 -8.885 5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.813 -7.458 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.878 -9.207 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.186 -10.409 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.653 -6.467 5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.091 -10.545 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.561 -6.600 7.793 1.00 0.00 H new ATOM 0 HH TYR A 72 3.172 -7.820 9.593 1.00 0.00 H new ATOM 1044 N CYS A 73 8.036 -8.243 2.023 1.00 0.00 N ATOM 1045 CA CYS A 73 8.554 -8.702 0.740 1.00 0.00 C ATOM 1046 C CYS A 73 10.075 -8.594 0.697 1.00 0.00 C ATOM 1047 O CYS A 73 10.767 -9.549 0.344 1.00 0.00 O ATOM 1048 CB CYS A 73 7.941 -7.889 -0.402 1.00 0.00 C ATOM 1049 SG CYS A 73 8.095 -6.086 -0.198 1.00 0.00 S ATOM 0 H CYS A 73 7.459 -7.403 1.968 1.00 0.00 H new ATOM 0 HA CYS A 73 8.279 -9.750 0.619 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.418 -8.180 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.885 -8.145 -0.490 1.00 0.00 H new ATOM 1054 N ASP A 74 10.590 -7.424 1.061 1.00 0.00 N ATOM 1055 CA ASP A 74 12.029 -7.190 1.066 1.00 0.00 C ATOM 1056 C ASP A 74 12.671 -7.726 -0.210 1.00 0.00 C ATOM 1057 O ASP A 74 13.737 -8.340 -0.169 1.00 0.00 O ATOM 1058 CB ASP A 74 12.670 -7.847 2.289 1.00 0.00 C ATOM 1059 CG ASP A 74 12.735 -6.912 3.481 1.00 0.00 C ATOM 1060 OD1 ASP A 74 12.723 -5.680 3.271 1.00 0.00 O ATOM 1061 OD2 ASP A 74 12.795 -7.411 4.624 1.00 0.00 O ATOM 0 H ASP A 74 10.032 -6.623 1.356 1.00 0.00 H new ATOM 0 HA ASP A 74 12.197 -6.114 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.102 -8.737 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.677 -8.177 2.034 1.00 0.00 H new ATOM 1066 N ASN A 75 12.014 -7.492 -1.341 1.00 0.00 N ATOM 1067 CA ASN A 75 12.520 -7.953 -2.628 1.00 0.00 C ATOM 1068 C ASN A 75 13.622 -7.032 -3.142 1.00 0.00 C ATOM 1069 O ASN A 75 13.584 -5.820 -2.922 1.00 0.00 O ATOM 1070 CB ASN A 75 11.384 -8.025 -3.650 1.00 0.00 C ATOM 1071 CG ASN A 75 10.589 -9.313 -3.541 1.00 0.00 C ATOM 1072 OD1 ASN A 75 10.238 -9.748 -2.444 1.00 0.00 O ATOM 1073 ND2 ASN A 75 10.300 -9.928 -4.682 1.00 0.00 N ATOM 0 H ASN A 75 11.130 -6.986 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 75 12.939 -8.949 -2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.716 -7.176 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.797 -7.940 -4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.767 -10.797 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.611 -9.531 -5.568 1.00 0.00 H new ATOM 1080 N ILE A 76 14.602 -7.614 -3.826 1.00 0.00 N ATOM 1081 CA ILE A 76 15.713 -6.844 -4.372 1.00 0.00 C ATOM 1082 C ILE A 76 15.433 -6.417 -5.809 1.00 0.00 C ATOM 1083 O ILE A 76 16.319 -6.451 -6.661 1.00 0.00 O ATOM 1084 CB ILE A 76 17.026 -7.648 -4.334 1.00 0.00 C ATOM 1085 CG1 ILE A 76 16.909 -8.898 -5.208 1.00 0.00 C ATOM 1086 CG2 ILE A 76 17.375 -8.028 -2.902 1.00 0.00 C ATOM 1087 CD1 ILE A 76 18.244 -9.445 -5.663 1.00 0.00 C ATOM 0 H ILE A 76 14.649 -8.615 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 76 15.820 -5.957 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 76 17.828 -7.024 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.379 -9.672 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.304 -8.664 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 76 18.305 -8.596 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 76 17.495 -7.124 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 76 16.574 -8.637 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 76 18.084 -10.331 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 76 18.768 -8.688 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 76 18.844 -9.711 -4.793 1.00 0.00 H new ATOM 1099 N ASN A 77 14.193 -6.012 -6.068 1.00 0.00 N ATOM 1100 CA ASN A 77 13.796 -5.576 -7.402 1.00 0.00 C ATOM 1101 C ASN A 77 14.564 -4.323 -7.815 1.00 0.00 C ATOM 1102 O ASN A 77 15.306 -4.333 -8.798 1.00 0.00 O ATOM 1103 CB ASN A 77 12.291 -5.303 -7.445 1.00 0.00 C ATOM 1104 CG ASN A 77 11.914 -4.311 -8.527 1.00 0.00 C ATOM 1105 OD1 ASN A 77 12.653 -4.119 -9.494 1.00 0.00 O ATOM 1106 ND2 ASN A 77 10.759 -3.675 -8.370 1.00 0.00 N ATOM 0 H ASN A 77 13.447 -5.977 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 77 14.034 -6.375 -8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.759 -6.240 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.966 -4.922 -6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.452 -2.996 -9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.179 -3.866 -7.553 1.00 0.00 H new ATOM 1113 N LEU A 78 14.380 -3.246 -7.059 1.00 0.00 N ATOM 1114 CA LEU A 78 15.054 -1.986 -7.346 1.00 0.00 C ATOM 1115 C LEU A 78 16.476 -2.229 -7.840 1.00 0.00 C ATOM 1116 O LEU A 78 17.191 -3.083 -7.313 1.00 0.00 O ATOM 1117 CB LEU A 78 15.081 -1.103 -6.097 1.00 0.00 C ATOM 1118 CG LEU A 78 15.361 0.382 -6.330 1.00 0.00 C ATOM 1119 CD1 LEU A 78 14.140 1.070 -6.920 1.00 0.00 C ATOM 1120 CD2 LEU A 78 15.781 1.056 -5.032 1.00 0.00 C ATOM 0 H LEU A 78 13.769 -3.221 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 78 14.497 -1.476 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.120 -1.196 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 78 15.839 -1.493 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 78 16.181 0.470 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.359 2.126 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.885 0.605 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.300 0.973 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.976 2.112 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.983 0.958 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.685 0.581 -4.652 1.00 0.00 H new ATOM 1132 N LEU A 79 16.882 -1.472 -8.854 1.00 0.00 N ATOM 1133 CA LEU A 79 18.222 -1.604 -9.419 1.00 0.00 C ATOM 1134 C LEU A 79 19.217 -0.725 -8.669 1.00 0.00 C ATOM 1135 O LEU A 79 19.381 0.454 -8.985 1.00 0.00 O ATOM 1136 CB LEU A 79 18.210 -1.231 -10.902 1.00 0.00 C ATOM 1137 CG LEU A 79 19.578 -1.026 -11.553 1.00 0.00 C ATOM 1138 CD1 LEU A 79 20.299 -2.355 -11.709 1.00 0.00 C ATOM 1139 CD2 LEU A 79 19.428 -0.338 -12.902 1.00 0.00 C ATOM 0 H LEU A 79 16.304 -0.761 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 79 18.534 -2.643 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.683 -2.013 -11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 79 17.632 -0.314 -11.021 1.00 0.00 H new ATOM 0 HG LEU A 79 20.176 -0.385 -10.904 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.271 -2.189 -12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.439 -2.810 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.705 -3.020 -12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.411 -0.200 -13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.812 -0.954 -13.558 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.952 0.633 -12.764 1.00 0.00 H new ATOM 1151 N LEU A 80 19.881 -1.306 -7.677 1.00 0.00 N ATOM 1152 CA LEU A 80 20.864 -0.576 -6.883 1.00 0.00 C ATOM 1153 C LEU A 80 21.645 -1.524 -5.978 1.00 0.00 C ATOM 1154 O LEU A 80 21.162 -2.598 -5.619 1.00 0.00 O ATOM 1155 CB LEU A 80 20.172 0.496 -6.040 1.00 0.00 C ATOM 1156 CG LEU A 80 20.995 1.750 -5.742 1.00 0.00 C ATOM 1157 CD1 LEU A 80 20.791 2.793 -6.831 1.00 0.00 C ATOM 1158 CD2 LEU A 80 20.627 2.320 -4.380 1.00 0.00 C ATOM 0 H LEU A 80 19.757 -2.281 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 80 21.564 -0.097 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.258 0.798 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.873 0.048 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 80 22.049 1.473 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.384 3.678 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.106 2.383 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.737 3.065 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.223 3.212 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.569 2.581 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.825 1.576 -3.609 1.00 0.00 H new ATOM 1170 N THR A 81 22.858 -1.119 -5.612 1.00 0.00 N ATOM 1171 CA THR A 81 23.707 -1.930 -4.750 1.00 0.00 C ATOM 1172 C THR A 81 23.024 -2.214 -3.416 1.00 0.00 C ATOM 1173 O THR A 81 22.695 -1.293 -2.670 1.00 0.00 O ATOM 1174 CB THR A 81 25.060 -1.243 -4.485 1.00 0.00 C ATOM 1175 OG1 THR A 81 25.901 -2.099 -3.704 1.00 0.00 O ATOM 1176 CG2 THR A 81 24.862 0.080 -3.761 1.00 0.00 C ATOM 0 H THR A 81 23.274 -0.233 -5.900 1.00 0.00 H new ATOM 0 HA THR A 81 23.882 -2.870 -5.273 1.00 0.00 H new ATOM 0 HB THR A 81 25.536 -1.046 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 81 26.759 -1.655 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 81 25.831 0.547 -3.585 1.00 0.00 H new ATOM 0 HG22 THR A 81 24.247 0.741 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.366 -0.098 -2.807 1.00 0.00 H new ATOM 1184 N GLU A 82 22.817 -3.494 -3.123 1.00 0.00 N ATOM 1185 CA GLU A 82 22.174 -3.897 -1.879 1.00 0.00 C ATOM 1186 C GLU A 82 23.092 -4.799 -1.058 1.00 0.00 C ATOM 1187 O GLU A 82 22.651 -5.796 -0.488 1.00 0.00 O ATOM 1188 CB GLU A 82 20.858 -4.622 -2.171 1.00 0.00 C ATOM 1189 CG GLU A 82 19.908 -4.659 -0.985 1.00 0.00 C ATOM 1190 CD GLU A 82 19.690 -3.292 -0.368 1.00 0.00 C ATOM 1191 OE1 GLU A 82 20.536 -2.866 0.446 1.00 0.00 O ATOM 1192 OE2 GLU A 82 18.674 -2.647 -0.700 1.00 0.00 O ATOM 0 H GLU A 82 23.085 -4.269 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 82 21.965 -2.997 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.361 -4.133 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.077 -5.643 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.949 -5.066 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.304 -5.336 -0.228 1.00 0.00 H new ATOM 1199 N GLU A 83 24.371 -4.440 -1.006 1.00 0.00 N ATOM 1200 CA GLU A 83 25.351 -5.217 -0.257 1.00 0.00 C ATOM 1201 C GLU A 83 24.738 -5.781 1.021 1.00 0.00 C ATOM 1202 O GLU A 83 24.380 -5.035 1.933 1.00 0.00 O ATOM 1203 CB GLU A 83 26.566 -4.352 0.086 1.00 0.00 C ATOM 1204 CG GLU A 83 27.809 -5.157 0.428 1.00 0.00 C ATOM 1205 CD GLU A 83 29.043 -4.288 0.576 1.00 0.00 C ATOM 1206 OE1 GLU A 83 28.892 -3.093 0.905 1.00 0.00 O ATOM 1207 OE2 GLU A 83 30.161 -4.804 0.362 1.00 0.00 O ATOM 0 H GLU A 83 24.752 -3.617 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 83 25.671 -6.050 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 83 26.787 -3.699 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 83 26.317 -3.708 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 83 27.640 -5.703 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 83 27.983 -5.899 -0.351 1.00 0.00 H new ATOM 1214 N SER A 84 24.617 -7.104 1.079 1.00 0.00 N ATOM 1215 CA SER A 84 24.043 -7.768 2.243 1.00 0.00 C ATOM 1216 C SER A 84 25.137 -8.365 3.124 1.00 0.00 C ATOM 1217 O SER A 84 26.284 -8.501 2.700 1.00 0.00 O ATOM 1218 CB SER A 84 23.072 -8.865 1.802 1.00 0.00 C ATOM 1219 OG SER A 84 23.749 -9.893 1.099 1.00 0.00 O ATOM 0 H SER A 84 24.909 -7.736 0.334 1.00 0.00 H new ATOM 0 HA SER A 84 23.500 -7.023 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.572 -9.285 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.297 -8.435 1.167 1.00 0.00 H new ATOM 0 HG SER A 84 23.107 -10.583 0.830 1.00 0.00 H new ATOM 1225 N GLY A 85 24.772 -8.719 4.353 1.00 0.00 N ATOM 1226 CA GLY A 85 25.733 -9.297 5.273 1.00 0.00 C ATOM 1227 C GLY A 85 25.173 -10.488 6.024 1.00 0.00 C ATOM 1228 O GLY A 85 24.895 -10.421 7.221 1.00 0.00 O ATOM 0 H GLY A 85 23.829 -8.616 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.621 -9.605 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 85 26.050 -8.537 5.987 1.00 0.00 H new ATOM 1232 N PRO A 86 24.996 -11.611 5.311 1.00 0.00 N ATOM 1233 CA PRO A 86 24.462 -12.844 5.897 1.00 0.00 C ATOM 1234 C PRO A 86 25.441 -13.497 6.867 1.00 0.00 C ATOM 1235 O PRO A 86 26.648 -13.264 6.796 1.00 0.00 O ATOM 1236 CB PRO A 86 24.234 -13.745 4.681 1.00 0.00 C ATOM 1237 CG PRO A 86 25.192 -13.246 3.655 1.00 0.00 C ATOM 1238 CD PRO A 86 25.304 -11.763 3.880 1.00 0.00 C ATOM 0 HA PRO A 86 23.562 -12.659 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 86 24.422 -14.791 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 86 23.205 -13.680 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 86 26.163 -13.731 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.834 -13.462 2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 86 26.302 -11.395 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.603 -11.208 3.257 1.00 0.00 H new ATOM 1246 N SER A 87 24.913 -14.316 7.772 1.00 0.00 N ATOM 1247 CA SER A 87 25.742 -14.999 8.759 1.00 0.00 C ATOM 1248 C SER A 87 26.842 -15.809 8.077 1.00 0.00 C ATOM 1249 O SER A 87 26.564 -16.753 7.339 1.00 0.00 O ATOM 1250 CB SER A 87 24.881 -15.917 9.629 1.00 0.00 C ATOM 1251 OG SER A 87 24.509 -17.088 8.922 1.00 0.00 O ATOM 0 H SER A 87 23.917 -14.522 7.842 1.00 0.00 H new ATOM 0 HA SER A 87 26.210 -14.244 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 87 25.431 -16.191 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.987 -15.384 9.952 1.00 0.00 H new ATOM 0 HG SER A 87 24.974 -17.111 8.059 1.00 0.00 H new ATOM 1257 N SER A 88 28.090 -15.429 8.332 1.00 0.00 N ATOM 1258 CA SER A 88 29.232 -16.117 7.741 1.00 0.00 C ATOM 1259 C SER A 88 29.016 -17.628 7.740 1.00 0.00 C ATOM 1260 O SER A 88 28.865 -18.246 8.792 1.00 0.00 O ATOM 1261 CB SER A 88 30.512 -15.775 8.507 1.00 0.00 C ATOM 1262 OG SER A 88 31.108 -14.593 8.002 1.00 0.00 O ATOM 0 H SER A 88 28.336 -14.650 8.943 1.00 0.00 H new ATOM 0 HA SER A 88 29.333 -15.781 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 88 30.283 -15.647 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 88 31.217 -16.603 8.431 1.00 0.00 H new ATOM 0 HG SER A 88 31.923 -14.395 8.509 1.00 0.00 H new ATOM 1268 N GLY A 89 29.002 -18.216 6.547 1.00 0.00 N ATOM 1269 CA GLY A 89 28.803 -19.648 6.428 1.00 0.00 C ATOM 1270 C GLY A 89 29.116 -20.164 5.038 1.00 0.00 C ATOM 1271 O GLY A 89 29.442 -21.342 4.894 1.00 0.00 O ATOM 0 H GLY A 89 29.125 -17.726 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 89 29.435 -20.161 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 89 27.770 -19.890 6.678 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.282 2.893 7.486 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.810 -5.445 -0.246 1.00 0.00 ZN