USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.12 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 136:sc= -0.0864 (180deg=-0.343) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 150:sc= -2.45! USER MOD Single : A 29 THR OG1 : rot 174:sc= 0.336 USER MOD Single : A 31 GLN : amide:sc= -2.4! K(o=-2.4!,f=-1.7) USER MOD Single : A 39 TYR OH : rot -70:sc= -5.8! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.66) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.0204 USER MOD Single : A 56 THR OG1 : rot -39:sc= 0.459 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 43:sc= 0.0269 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 84:sc= 0.0554 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.72) USER MOD Single : A 71 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.16) USER MOD Single : A 72 MET CE :methyl 139:sc= 0 (180deg=-0.428) USER MOD Single : A 74 GLN : amide:sc= -5.34! C(o=-5.3!,f=-3.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.617 K(o=-0.62,f=-2.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.838 -7.310 19.501 1.00 0.00 N ATOM 2 CA GLY A 1 -9.949 -6.357 18.411 1.00 0.00 C ATOM 3 C GLY A 1 -9.079 -5.124 18.668 1.00 0.00 C ATOM 4 O GLY A 1 -8.365 -5.063 19.668 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.605 -8.249 19.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.087 -7.006 20.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.742 -7.359 20.013 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.647 -6.831 17.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.989 -6.054 18.293 1.00 0.00 H new ATOM 8 N SER A 2 -9.168 -4.174 17.750 1.00 0.00 N ATOM 9 CA SER A 2 -8.398 -2.948 17.864 1.00 0.00 C ATOM 10 C SER A 2 -6.982 -3.263 18.353 1.00 0.00 C ATOM 11 O SER A 2 -6.727 -3.278 19.557 1.00 0.00 O ATOM 12 CB SER A 2 -9.078 -1.956 18.811 1.00 0.00 C ATOM 13 OG SER A 2 -9.412 -0.736 18.155 1.00 0.00 O ATOM 0 H SER A 2 -9.762 -4.229 16.923 1.00 0.00 H new ATOM 0 HA SER A 2 -8.341 -2.487 16.878 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.982 -2.407 19.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.417 -1.746 19.652 1.00 0.00 H new ATOM 0 HG SER A 2 -9.845 -0.130 18.792 1.00 0.00 H new ATOM 19 N SER A 3 -6.099 -3.507 17.396 1.00 0.00 N ATOM 20 CA SER A 3 -4.717 -3.820 17.713 1.00 0.00 C ATOM 21 C SER A 3 -3.808 -2.667 17.286 1.00 0.00 C ATOM 22 O SER A 3 -3.919 -2.165 16.169 1.00 0.00 O ATOM 23 CB SER A 3 -4.278 -5.121 17.039 1.00 0.00 C ATOM 24 OG SER A 3 -4.435 -5.068 15.624 1.00 0.00 O ATOM 0 H SER A 3 -6.315 -3.494 16.399 1.00 0.00 H new ATOM 0 HA SER A 3 -4.636 -3.957 18.791 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.234 -5.320 17.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.862 -5.951 17.438 1.00 0.00 H new ATOM 0 HG SER A 3 -4.142 -5.916 15.230 1.00 0.00 H new ATOM 30 N GLY A 4 -2.927 -2.280 18.198 1.00 0.00 N ATOM 31 CA GLY A 4 -1.999 -1.195 17.928 1.00 0.00 C ATOM 32 C GLY A 4 -2.671 0.164 18.129 1.00 0.00 C ATOM 33 O GLY A 4 -3.897 0.261 18.123 1.00 0.00 O ATOM 0 H GLY A 4 -2.837 -2.698 19.124 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.135 -1.278 18.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.629 -1.274 16.906 1.00 0.00 H new ATOM 37 N SER A 5 -1.839 1.180 18.301 1.00 0.00 N ATOM 38 CA SER A 5 -2.337 2.530 18.503 1.00 0.00 C ATOM 39 C SER A 5 -2.834 3.108 17.176 1.00 0.00 C ATOM 40 O SER A 5 -2.239 2.865 16.127 1.00 0.00 O ATOM 41 CB SER A 5 -1.257 3.432 19.103 1.00 0.00 C ATOM 42 OG SER A 5 -1.734 4.157 20.234 1.00 0.00 O ATOM 0 H SER A 5 -0.823 1.096 18.305 1.00 0.00 H new ATOM 0 HA SER A 5 -3.168 2.486 19.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.400 2.826 19.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.907 4.132 18.345 1.00 0.00 H new ATOM 0 HG SER A 5 -1.014 4.720 20.589 1.00 0.00 H new ATOM 48 N SER A 6 -3.920 3.862 17.265 1.00 0.00 N ATOM 49 CA SER A 6 -4.504 4.477 16.085 1.00 0.00 C ATOM 50 C SER A 6 -5.555 5.509 16.498 1.00 0.00 C ATOM 51 O SER A 6 -6.650 5.148 16.926 1.00 0.00 O ATOM 52 CB SER A 6 -5.126 3.423 15.167 1.00 0.00 C ATOM 53 OG SER A 6 -5.415 3.947 13.873 1.00 0.00 O ATOM 0 H SER A 6 -4.411 4.061 18.137 1.00 0.00 H new ATOM 0 HA SER A 6 -3.710 4.979 15.532 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.445 2.577 15.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.043 3.045 15.618 1.00 0.00 H new ATOM 0 HG SER A 6 -5.809 3.244 13.316 1.00 0.00 H new ATOM 59 N GLY A 7 -5.184 6.773 16.355 1.00 0.00 N ATOM 60 CA GLY A 7 -6.082 7.860 16.708 1.00 0.00 C ATOM 61 C GLY A 7 -7.280 7.912 15.758 1.00 0.00 C ATOM 62 O GLY A 7 -7.617 6.914 15.123 1.00 0.00 O ATOM 0 H GLY A 7 -4.275 7.069 16.000 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.431 7.730 17.732 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.544 8.807 16.672 1.00 0.00 H new ATOM 66 N SER A 8 -7.890 9.087 15.690 1.00 0.00 N ATOM 67 CA SER A 8 -9.043 9.282 14.828 1.00 0.00 C ATOM 68 C SER A 8 -8.618 9.208 13.359 1.00 0.00 C ATOM 69 O SER A 8 -9.106 8.362 12.611 1.00 0.00 O ATOM 70 CB SER A 8 -9.725 10.621 15.115 1.00 0.00 C ATOM 71 OG SER A 8 -10.252 10.678 16.437 1.00 0.00 O ATOM 0 H SER A 8 -7.607 9.913 16.218 1.00 0.00 H new ATOM 0 HA SER A 8 -9.760 8.487 15.033 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.008 11.430 14.975 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.529 10.780 14.397 1.00 0.00 H new ATOM 0 HG SER A 8 -10.678 11.549 16.582 1.00 0.00 H new ATOM 77 N GLU A 9 -7.714 10.103 12.992 1.00 0.00 N ATOM 78 CA GLU A 9 -7.218 10.150 11.628 1.00 0.00 C ATOM 79 C GLU A 9 -6.189 11.271 11.475 1.00 0.00 C ATOM 80 O GLU A 9 -6.492 12.325 10.916 1.00 0.00 O ATOM 81 CB GLU A 9 -8.366 10.320 10.632 1.00 0.00 C ATOM 82 CG GLU A 9 -8.260 9.304 9.493 1.00 0.00 C ATOM 83 CD GLU A 9 -9.051 8.035 9.813 1.00 0.00 C ATOM 84 OE1 GLU A 9 -8.485 7.178 10.525 1.00 0.00 O ATOM 85 OE2 GLU A 9 -10.204 7.951 9.339 1.00 0.00 O ATOM 0 H GLU A 9 -7.312 10.802 13.616 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.728 9.201 11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.319 10.197 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.352 11.331 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.635 9.747 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.213 9.051 9.323 1.00 0.00 H new ATOM 92 N GLU A 10 -4.992 11.007 11.980 1.00 0.00 N ATOM 93 CA GLU A 10 -3.917 11.982 11.907 1.00 0.00 C ATOM 94 C GLU A 10 -3.101 11.776 10.630 1.00 0.00 C ATOM 95 O GLU A 10 -2.056 11.127 10.654 1.00 0.00 O ATOM 96 CB GLU A 10 -3.024 11.907 13.147 1.00 0.00 C ATOM 97 CG GLU A 10 -3.646 12.669 14.318 1.00 0.00 C ATOM 98 CD GLU A 10 -2.708 13.771 14.815 1.00 0.00 C ATOM 99 OE1 GLU A 10 -2.110 14.442 13.946 1.00 0.00 O ATOM 100 OE2 GLU A 10 -2.610 13.917 16.052 1.00 0.00 O ATOM 0 H GLU A 10 -4.743 10.132 12.441 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.357 12.979 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.871 10.865 13.427 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.043 12.323 12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.595 13.107 14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.864 11.977 15.132 1.00 0.00 H new ATOM 107 N ASP A 11 -3.608 12.340 9.543 1.00 0.00 N ATOM 108 CA ASP A 11 -2.939 12.226 8.258 1.00 0.00 C ATOM 109 C ASP A 11 -2.074 13.466 8.028 1.00 0.00 C ATOM 110 O ASP A 11 -2.376 14.543 8.541 1.00 0.00 O ATOM 111 CB ASP A 11 -3.952 12.138 7.115 1.00 0.00 C ATOM 112 CG ASP A 11 -5.205 12.998 7.294 1.00 0.00 C ATOM 113 OD1 ASP A 11 -5.052 14.122 7.819 1.00 0.00 O ATOM 114 OD2 ASP A 11 -6.288 12.511 6.902 1.00 0.00 O ATOM 0 H ASP A 11 -4.475 12.877 9.526 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.333 11.320 8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.458 12.431 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.257 11.098 6.999 1.00 0.00 H new ATOM 119 N ASP A 12 -1.014 13.274 7.256 1.00 0.00 N ATOM 120 CA ASP A 12 -0.102 14.364 6.951 1.00 0.00 C ATOM 121 C ASP A 12 -0.133 14.643 5.446 1.00 0.00 C ATOM 122 O ASP A 12 -0.822 13.953 4.698 1.00 0.00 O ATOM 123 CB ASP A 12 1.334 14.005 7.335 1.00 0.00 C ATOM 124 CG ASP A 12 1.826 14.621 8.647 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.008 14.675 9.591 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.009 15.024 8.676 1.00 0.00 O ATOM 0 H ASP A 12 -0.766 12.380 6.833 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.419 15.238 7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.414 12.920 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.999 14.321 6.531 1.00 0.00 H new ATOM 131 N GLU A 13 0.621 15.657 5.050 1.00 0.00 N ATOM 132 CA GLU A 13 0.690 16.036 3.648 1.00 0.00 C ATOM 133 C GLU A 13 1.299 14.903 2.822 1.00 0.00 C ATOM 134 O GLU A 13 0.983 14.751 1.643 1.00 0.00 O ATOM 135 CB GLU A 13 1.481 17.334 3.470 1.00 0.00 C ATOM 136 CG GLU A 13 0.754 18.513 4.118 1.00 0.00 C ATOM 137 CD GLU A 13 1.750 19.550 4.643 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.607 19.151 5.460 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.633 20.718 4.213 1.00 0.00 O ATOM 0 H GLU A 13 1.190 16.228 5.675 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.323 16.215 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.471 17.224 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.628 17.532 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.088 18.978 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.131 18.155 4.937 1.00 0.00 H new ATOM 146 N VAL A 14 2.162 14.137 3.472 1.00 0.00 N ATOM 147 CA VAL A 14 2.819 13.023 2.810 1.00 0.00 C ATOM 148 C VAL A 14 1.795 11.916 2.547 1.00 0.00 C ATOM 149 O VAL A 14 1.765 11.340 1.461 1.00 0.00 O ATOM 150 CB VAL A 14 4.011 12.547 3.645 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.543 11.910 4.955 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.888 11.580 2.848 1.00 0.00 C ATOM 0 H VAL A 14 2.422 14.266 4.450 1.00 0.00 H new ATOM 0 HA VAL A 14 3.218 13.334 1.845 1.00 0.00 H new ATOM 0 HB VAL A 14 4.615 13.419 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.409 11.581 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.980 12.642 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.906 11.053 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.727 11.257 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.298 10.712 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.264 12.081 1.956 1.00 0.00 H new ATOM 162 N VAL A 15 0.981 11.654 3.559 1.00 0.00 N ATOM 163 CA VAL A 15 -0.041 10.627 3.450 1.00 0.00 C ATOM 164 C VAL A 15 -0.958 10.951 2.269 1.00 0.00 C ATOM 165 O VAL A 15 -1.072 10.161 1.333 1.00 0.00 O ATOM 166 CB VAL A 15 -0.795 10.496 4.775 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.063 9.657 4.604 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.107 9.914 5.865 1.00 0.00 C ATOM 0 H VAL A 15 1.008 12.135 4.458 1.00 0.00 H new ATOM 0 HA VAL A 15 0.412 9.656 3.253 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.096 11.495 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.580 9.580 5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.719 10.133 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.795 8.660 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.454 9.832 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.453 8.926 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.965 10.569 6.015 1.00 0.00 H new ATOM 178 N ALA A 16 -1.589 12.112 2.351 1.00 0.00 N ATOM 179 CA ALA A 16 -2.493 12.551 1.301 1.00 0.00 C ATOM 180 C ALA A 16 -1.855 12.275 -0.062 1.00 0.00 C ATOM 181 O ALA A 16 -2.558 12.045 -1.045 1.00 0.00 O ATOM 182 CB ALA A 16 -2.828 14.030 1.500 1.00 0.00 C ATOM 0 H ALA A 16 -1.492 12.764 3.130 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.431 11.997 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.506 14.359 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.305 14.168 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.912 14.619 1.459 1.00 0.00 H new ATOM 188 N MET A 17 -0.531 12.307 -0.077 1.00 0.00 N ATOM 189 CA MET A 17 0.210 12.064 -1.303 1.00 0.00 C ATOM 190 C MET A 17 0.171 10.581 -1.682 1.00 0.00 C ATOM 191 O MET A 17 -0.240 10.230 -2.787 1.00 0.00 O ATOM 192 CB MET A 17 1.662 12.506 -1.120 1.00 0.00 C ATOM 193 CG MET A 17 2.117 13.395 -2.280 1.00 0.00 C ATOM 194 SD MET A 17 3.287 14.609 -1.696 1.00 0.00 S ATOM 195 CE MET A 17 4.568 13.534 -1.074 1.00 0.00 C ATOM 0 H MET A 17 0.048 12.498 0.741 1.00 0.00 H new ATOM 0 HA MET A 17 -0.254 12.638 -2.105 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.765 13.048 -0.180 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.307 11.630 -1.055 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.572 12.785 -3.060 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.256 13.893 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.542 13.909 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.523 13.507 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.422 12.528 -1.468 1.00 0.00 H new ATOM 205 N ILE A 18 0.606 9.752 -0.745 1.00 0.00 N ATOM 206 CA ILE A 18 0.626 8.317 -0.966 1.00 0.00 C ATOM 207 C ILE A 18 -0.789 7.836 -1.292 1.00 0.00 C ATOM 208 O ILE A 18 -0.982 7.046 -2.215 1.00 0.00 O ATOM 209 CB ILE A 18 1.262 7.600 0.227 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.747 7.946 0.349 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.029 6.090 0.146 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.119 8.265 1.798 1.00 0.00 C ATOM 0 H ILE A 18 0.948 10.047 0.170 1.00 0.00 H new ATOM 0 HA ILE A 18 1.251 8.072 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 18 0.775 7.953 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.349 7.111 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.978 8.801 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.491 5.604 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.042 5.887 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.472 5.702 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.180 8.507 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.533 9.116 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.910 7.399 2.426 1.00 0.00 H new ATOM 224 N LYS A 19 -1.740 8.331 -0.516 1.00 0.00 N ATOM 225 CA LYS A 19 -3.132 7.960 -0.710 1.00 0.00 C ATOM 226 C LYS A 19 -3.451 7.960 -2.207 1.00 0.00 C ATOM 227 O LYS A 19 -3.975 6.980 -2.733 1.00 0.00 O ATOM 228 CB LYS A 19 -4.049 8.868 0.114 1.00 0.00 C ATOM 229 CG LYS A 19 -4.300 8.277 1.502 1.00 0.00 C ATOM 230 CD LYS A 19 -5.650 7.561 1.557 1.00 0.00 C ATOM 231 CE LYS A 19 -5.801 6.772 2.859 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.221 6.723 3.275 1.00 0.00 N ATOM 0 H LYS A 19 -1.575 8.986 0.249 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.311 6.949 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.598 9.855 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.998 9.001 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.503 7.577 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.274 9.070 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.456 8.290 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.742 6.886 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.421 5.760 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.202 7.235 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.305 6.184 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.573 7.690 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.784 6.260 2.533 1.00 0.00 H new ATOM 246 N GLU A 20 -3.121 9.071 -2.849 1.00 0.00 N ATOM 247 CA GLU A 20 -3.366 9.212 -4.274 1.00 0.00 C ATOM 248 C GLU A 20 -2.678 8.083 -5.045 1.00 0.00 C ATOM 249 O GLU A 20 -3.333 7.325 -5.760 1.00 0.00 O ATOM 250 CB GLU A 20 -2.904 10.580 -4.779 1.00 0.00 C ATOM 251 CG GLU A 20 -3.923 11.181 -5.749 1.00 0.00 C ATOM 252 CD GLU A 20 -3.228 12.012 -6.829 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.812 13.143 -6.495 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.129 11.500 -7.964 1.00 0.00 O ATOM 0 H GLU A 20 -2.686 9.882 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.440 9.142 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.760 11.254 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.939 10.481 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.501 10.383 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.627 11.807 -5.201 1.00 0.00 H new ATOM 261 N LEU A 21 -1.367 8.006 -4.873 1.00 0.00 N ATOM 262 CA LEU A 21 -0.583 6.982 -5.543 1.00 0.00 C ATOM 263 C LEU A 21 -1.254 5.621 -5.346 1.00 0.00 C ATOM 264 O LEU A 21 -1.039 4.699 -6.130 1.00 0.00 O ATOM 265 CB LEU A 21 0.871 7.025 -5.070 1.00 0.00 C ATOM 266 CG LEU A 21 1.933 7.079 -6.170 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.342 7.055 -5.574 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.724 5.958 -7.190 1.00 0.00 C ATOM 0 H LEU A 21 -0.827 8.636 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.550 7.169 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.998 7.896 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.058 6.145 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 21 1.824 8.024 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.078 7.094 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.474 7.916 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.479 6.138 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.492 6.020 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.790 4.993 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.741 6.062 -7.649 1.00 0.00 H new ATOM 280 N LEU A 22 -2.054 5.539 -4.292 1.00 0.00 N ATOM 281 CA LEU A 22 -2.757 4.306 -3.981 1.00 0.00 C ATOM 282 C LEU A 22 -4.102 4.293 -4.713 1.00 0.00 C ATOM 283 O LEU A 22 -4.544 3.249 -5.187 1.00 0.00 O ATOM 284 CB LEU A 22 -2.878 4.126 -2.467 1.00 0.00 C ATOM 285 CG LEU A 22 -1.643 3.568 -1.758 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.761 2.056 -1.557 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.363 3.949 -2.504 1.00 0.00 C ATOM 0 H LEU A 22 -2.231 6.306 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.192 3.444 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.121 5.092 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.719 3.462 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.585 4.020 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.870 1.686 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.640 1.837 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.858 1.567 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.500 3.540 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.397 3.544 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.278 5.035 -2.550 1.00 0.00 H new ATOM 299 N ASP A 23 -4.714 5.466 -4.779 1.00 0.00 N ATOM 300 CA ASP A 23 -5.999 5.603 -5.443 1.00 0.00 C ATOM 301 C ASP A 23 -5.787 5.598 -6.959 1.00 0.00 C ATOM 302 O ASP A 23 -6.613 5.071 -7.703 1.00 0.00 O ATOM 303 CB ASP A 23 -6.677 6.921 -5.065 1.00 0.00 C ATOM 304 CG ASP A 23 -7.845 6.789 -4.087 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.068 5.652 -3.618 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.490 7.829 -3.828 1.00 0.00 O ATOM 0 H ASP A 23 -4.344 6.330 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.630 4.771 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.930 7.584 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.037 7.401 -5.975 1.00 0.00 H new ATOM 311 N THR A 24 -4.677 6.193 -7.371 1.00 0.00 N ATOM 312 CA THR A 24 -4.347 6.264 -8.784 1.00 0.00 C ATOM 313 C THR A 24 -4.777 4.980 -9.498 1.00 0.00 C ATOM 314 O THR A 24 -5.905 4.881 -9.978 1.00 0.00 O ATOM 315 CB THR A 24 -2.849 6.553 -8.906 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.260 5.777 -7.867 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.501 7.997 -8.537 1.00 0.00 C ATOM 0 H THR A 24 -3.995 6.630 -6.751 1.00 0.00 H new ATOM 0 HA THR A 24 -4.890 7.071 -9.276 1.00 0.00 H new ATOM 0 HB THR A 24 -2.521 6.349 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.356 5.508 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.427 8.150 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.030 8.680 -9.201 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.798 8.191 -7.506 1.00 0.00 H new ATOM 325 N ARG A 25 -3.855 4.030 -9.546 1.00 0.00 N ATOM 326 CA ARG A 25 -4.125 2.757 -10.193 1.00 0.00 C ATOM 327 C ARG A 25 -3.486 1.614 -9.401 1.00 0.00 C ATOM 328 O ARG A 25 -2.879 0.716 -9.981 1.00 0.00 O ATOM 329 CB ARG A 25 -3.584 2.741 -11.623 1.00 0.00 C ATOM 330 CG ARG A 25 -4.554 3.434 -12.584 1.00 0.00 C ATOM 331 CD ARG A 25 -4.655 2.670 -13.906 1.00 0.00 C ATOM 332 NE ARG A 25 -6.038 2.746 -14.430 1.00 0.00 N ATOM 333 CZ ARG A 25 -6.555 1.881 -15.312 1.00 0.00 C ATOM 334 NH1 ARG A 25 -5.808 0.868 -15.775 1.00 0.00 N ATOM 335 NH2 ARG A 25 -7.819 2.027 -15.731 1.00 0.00 N ATOM 0 H ARG A 25 -2.920 4.116 -9.147 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.206 2.623 -10.224 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.616 3.240 -11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.422 1.712 -11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.540 3.504 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.218 4.453 -12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.959 3.089 -14.632 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.371 1.628 -13.756 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.634 3.504 -14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.846 0.756 -15.455 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.202 0.209 -16.447 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.387 2.797 -15.378 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.213 1.368 -16.403 1.00 0.00 H new ATOM 349 N ILE A 26 -3.646 1.685 -8.087 1.00 0.00 N ATOM 350 CA ILE A 26 -3.093 0.667 -7.210 1.00 0.00 C ATOM 351 C ILE A 26 -4.231 -0.012 -6.445 1.00 0.00 C ATOM 352 O ILE A 26 -4.402 -1.227 -6.530 1.00 0.00 O ATOM 353 CB ILE A 26 -2.015 1.266 -6.306 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.848 1.812 -7.133 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.552 0.253 -5.258 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.257 2.359 -6.226 1.00 0.00 C ATOM 0 H ILE A 26 -4.151 2.432 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.593 -0.107 -7.792 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.450 2.108 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.446 1.022 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.204 2.601 -7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.785 0.705 -4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.399 -0.045 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.141 -0.625 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.074 2.741 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.143 3.165 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.628 1.561 -5.582 1.00 0.00 H new ATOM 368 N ARG A 27 -4.978 0.802 -5.713 1.00 0.00 N ATOM 369 CA ARG A 27 -6.093 0.296 -4.932 1.00 0.00 C ATOM 370 C ARG A 27 -7.171 -0.276 -5.856 1.00 0.00 C ATOM 371 O ARG A 27 -7.641 -1.394 -5.651 1.00 0.00 O ATOM 372 CB ARG A 27 -6.706 1.397 -4.066 1.00 0.00 C ATOM 373 CG ARG A 27 -8.232 1.293 -4.042 1.00 0.00 C ATOM 374 CD ARG A 27 -8.841 2.372 -3.145 1.00 0.00 C ATOM 375 NE ARG A 27 -10.056 1.850 -2.480 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.832 2.572 -1.660 1.00 0.00 C ATOM 377 NH1 ARG A 27 -10.526 3.850 -1.400 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.915 2.015 -1.101 1.00 0.00 N ATOM 0 H ARG A 27 -4.832 1.809 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.711 -0.490 -4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.317 1.324 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.411 2.373 -4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.623 1.394 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.527 0.307 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.114 2.688 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.090 3.252 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.319 0.880 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.702 4.274 -1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.117 4.399 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.148 1.042 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.506 2.564 -0.477 1.00 0.00 H new ATOM 392 N PRO A 28 -7.541 0.539 -6.880 1.00 0.00 N ATOM 393 CA PRO A 28 -8.555 0.126 -7.836 1.00 0.00 C ATOM 394 C PRO A 28 -7.997 -0.908 -8.815 1.00 0.00 C ATOM 395 O PRO A 28 -8.741 -1.477 -9.613 1.00 0.00 O ATOM 396 CB PRO A 28 -8.999 1.411 -8.518 1.00 0.00 C ATOM 397 CG PRO A 28 -7.897 2.425 -8.253 1.00 0.00 C ATOM 398 CD PRO A 28 -7.006 1.869 -7.154 1.00 0.00 C ATOM 0 HA PRO A 28 -9.402 -0.372 -7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.139 1.257 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.952 1.756 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.318 2.605 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.323 3.382 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.966 1.819 -7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.035 2.498 -6.265 1.00 0.00 H new ATOM 406 N THR A 29 -6.693 -1.121 -8.721 1.00 0.00 N ATOM 407 CA THR A 29 -6.027 -2.078 -9.589 1.00 0.00 C ATOM 408 C THR A 29 -5.922 -3.440 -8.900 1.00 0.00 C ATOM 409 O THR A 29 -5.788 -4.466 -9.564 1.00 0.00 O ATOM 410 CB THR A 29 -4.671 -1.491 -9.985 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.997 -0.453 -10.906 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.828 -2.468 -10.809 1.00 0.00 C ATOM 0 H THR A 29 -6.080 -0.648 -8.058 1.00 0.00 H new ATOM 0 HA THR A 29 -6.600 -2.253 -10.499 1.00 0.00 H new ATOM 0 HB THR A 29 -4.123 -1.206 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.186 0.045 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.876 -2.002 -11.064 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.645 -3.371 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.361 -2.727 -11.724 1.00 0.00 H new ATOM 420 N VAL A 30 -5.985 -3.405 -7.577 1.00 0.00 N ATOM 421 CA VAL A 30 -5.900 -4.623 -6.791 1.00 0.00 C ATOM 422 C VAL A 30 -7.304 -5.192 -6.584 1.00 0.00 C ATOM 423 O VAL A 30 -7.535 -6.381 -6.801 1.00 0.00 O ATOM 424 CB VAL A 30 -5.166 -4.347 -5.476 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.163 -5.586 -4.580 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.741 -3.855 -5.736 1.00 0.00 C ATOM 0 H VAL A 30 -6.094 -2.551 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.319 -5.379 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.703 -3.556 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.635 -5.363 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.190 -5.874 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.662 -6.406 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.242 -3.666 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.190 -4.614 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.775 -2.933 -6.317 1.00 0.00 H new ATOM 436 N GLN A 31 -8.207 -4.317 -6.167 1.00 0.00 N ATOM 437 CA GLN A 31 -9.583 -4.717 -5.928 1.00 0.00 C ATOM 438 C GLN A 31 -10.164 -5.390 -7.173 1.00 0.00 C ATOM 439 O GLN A 31 -11.155 -6.113 -7.087 1.00 0.00 O ATOM 440 CB GLN A 31 -10.436 -3.520 -5.503 1.00 0.00 C ATOM 441 CG GLN A 31 -10.924 -2.734 -6.722 1.00 0.00 C ATOM 442 CD GLN A 31 -11.653 -1.458 -6.296 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.225 -1.369 -5.221 1.00 0.00 O ATOM 444 NE2 GLN A 31 -11.602 -0.479 -7.195 1.00 0.00 N ATOM 0 H GLN A 31 -8.012 -3.332 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.595 -5.438 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.291 -3.866 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.854 -2.866 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.076 -2.478 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.592 -3.357 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.106 -0.620 -8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.059 0.413 -7.004 1.00 0.00 H new ATOM 453 N GLU A 32 -9.522 -5.127 -8.302 1.00 0.00 N ATOM 454 CA GLU A 32 -9.963 -5.698 -9.563 1.00 0.00 C ATOM 455 C GLU A 32 -9.560 -7.172 -9.648 1.00 0.00 C ATOM 456 O GLU A 32 -9.861 -7.845 -10.633 1.00 0.00 O ATOM 457 CB GLU A 32 -9.403 -4.908 -10.748 1.00 0.00 C ATOM 458 CG GLU A 32 -10.522 -4.186 -11.503 1.00 0.00 C ATOM 459 CD GLU A 32 -9.982 -2.957 -12.238 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.957 -3.117 -12.934 1.00 0.00 O ATOM 461 OE2 GLU A 32 -10.607 -1.885 -12.086 1.00 0.00 O ATOM 0 H GLU A 32 -8.700 -4.526 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.050 -5.635 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.672 -4.182 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.879 -5.583 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.983 -4.868 -12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.301 -3.883 -10.803 1.00 0.00 H new ATOM 468 N ASP A 33 -8.887 -7.630 -8.603 1.00 0.00 N ATOM 469 CA ASP A 33 -8.440 -9.011 -8.547 1.00 0.00 C ATOM 470 C ASP A 33 -9.249 -9.761 -7.486 1.00 0.00 C ATOM 471 O ASP A 33 -9.892 -10.765 -7.786 1.00 0.00 O ATOM 472 CB ASP A 33 -6.962 -9.097 -8.162 1.00 0.00 C ATOM 473 CG ASP A 33 -6.394 -10.515 -8.090 1.00 0.00 C ATOM 474 OD1 ASP A 33 -7.203 -11.458 -8.230 1.00 0.00 O ATOM 475 OD2 ASP A 33 -5.164 -10.625 -7.898 1.00 0.00 O ATOM 0 H ASP A 33 -8.640 -7.069 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.581 -9.451 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.380 -8.525 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.826 -8.618 -7.192 1.00 0.00 H new ATOM 480 N GLY A 34 -9.190 -9.244 -6.268 1.00 0.00 N ATOM 481 CA GLY A 34 -9.908 -9.851 -5.160 1.00 0.00 C ATOM 482 C GLY A 34 -9.747 -9.026 -3.882 1.00 0.00 C ATOM 483 O GLY A 34 -10.683 -8.356 -3.450 1.00 0.00 O ATOM 0 H GLY A 34 -8.655 -8.410 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.965 -9.936 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.537 -10.862 -4.993 1.00 0.00 H new ATOM 487 N GLY A 35 -8.553 -9.103 -3.314 1.00 0.00 N ATOM 488 CA GLY A 35 -8.257 -8.371 -2.094 1.00 0.00 C ATOM 489 C GLY A 35 -8.409 -6.864 -2.308 1.00 0.00 C ATOM 490 O GLY A 35 -9.162 -6.429 -3.179 1.00 0.00 O ATOM 0 H GLY A 35 -7.779 -9.661 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.926 -8.698 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.241 -8.595 -1.769 1.00 0.00 H new ATOM 494 N ASP A 36 -7.682 -6.107 -1.499 1.00 0.00 N ATOM 495 CA ASP A 36 -7.728 -4.657 -1.588 1.00 0.00 C ATOM 496 C ASP A 36 -6.573 -4.064 -0.779 1.00 0.00 C ATOM 497 O ASP A 36 -6.253 -4.553 0.303 1.00 0.00 O ATOM 498 CB ASP A 36 -9.036 -4.110 -1.016 1.00 0.00 C ATOM 499 CG ASP A 36 -9.530 -2.811 -1.656 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.719 -1.861 -1.708 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.706 -2.797 -2.078 1.00 0.00 O ATOM 0 H ASP A 36 -7.058 -6.470 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.653 -4.382 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.810 -4.870 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.906 -3.944 0.053 1.00 0.00 H new ATOM 506 N VAL A 37 -5.979 -3.018 -1.334 1.00 0.00 N ATOM 507 CA VAL A 37 -4.867 -2.353 -0.677 1.00 0.00 C ATOM 508 C VAL A 37 -5.402 -1.223 0.203 1.00 0.00 C ATOM 509 O VAL A 37 -6.115 -0.342 -0.277 1.00 0.00 O ATOM 510 CB VAL A 37 -3.855 -1.872 -1.720 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.222 -0.479 -2.236 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.434 -1.890 -1.154 1.00 0.00 C ATOM 0 H VAL A 37 -6.247 -2.615 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.337 -3.048 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.888 -2.562 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.488 -0.160 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.210 -0.510 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.230 0.226 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.735 -1.544 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.380 -1.233 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.173 -2.906 -0.857 1.00 0.00 H new ATOM 522 N ILE A 38 -5.038 -1.283 1.476 1.00 0.00 N ATOM 523 CA ILE A 38 -5.473 -0.275 2.427 1.00 0.00 C ATOM 524 C ILE A 38 -4.269 0.208 3.238 1.00 0.00 C ATOM 525 O ILE A 38 -3.763 -0.513 4.095 1.00 0.00 O ATOM 526 CB ILE A 38 -6.620 -0.810 3.289 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.544 -1.712 2.470 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.381 0.335 3.960 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.053 -3.162 2.488 1.00 0.00 C ATOM 0 H ILE A 38 -4.447 -2.014 1.870 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.875 0.593 1.904 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.195 -1.422 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.556 -1.662 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.591 -1.353 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.190 -0.072 4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.700 0.901 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.795 0.993 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.728 -3.782 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.050 -3.212 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.031 -3.526 3.515 1.00 0.00 H new ATOM 541 N TYR A 39 -3.845 1.428 2.938 1.00 0.00 N ATOM 542 CA TYR A 39 -2.710 2.015 3.628 1.00 0.00 C ATOM 543 C TYR A 39 -3.097 2.462 5.040 1.00 0.00 C ATOM 544 O TYR A 39 -3.756 3.486 5.212 1.00 0.00 O ATOM 545 CB TYR A 39 -2.309 3.245 2.810 1.00 0.00 C ATOM 546 CG TYR A 39 -1.564 4.312 3.613 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.812 3.949 4.712 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.644 5.639 3.240 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.111 4.953 5.469 1.00 0.00 C ATOM 550 CE2 TYR A 39 -0.942 6.642 3.997 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.210 6.250 5.074 1.00 0.00 C ATOM 552 OH TYR A 39 0.452 7.199 5.789 1.00 0.00 O ATOM 0 H TYR A 39 -4.267 2.025 2.227 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.901 1.291 3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.680 2.926 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.206 3.690 2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.749 2.911 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.233 5.924 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.480 4.682 6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.995 7.683 3.716 1.00 0.00 H new ATOM 0 HH TYR A 39 0.025 7.307 6.664 1.00 0.00 H new ATOM 562 N ARG A 40 -2.671 1.670 6.013 1.00 0.00 N ATOM 563 CA ARG A 40 -2.965 1.970 7.403 1.00 0.00 C ATOM 564 C ARG A 40 -1.680 1.947 8.235 1.00 0.00 C ATOM 565 O ARG A 40 -1.277 0.897 8.732 1.00 0.00 O ATOM 566 CB ARG A 40 -3.959 0.963 7.986 1.00 0.00 C ATOM 567 CG ARG A 40 -4.982 0.532 6.935 1.00 0.00 C ATOM 568 CD ARG A 40 -6.010 1.637 6.684 1.00 0.00 C ATOM 569 NE ARG A 40 -7.334 1.225 7.201 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.338 2.074 7.458 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.177 3.387 7.246 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.505 1.609 7.925 1.00 0.00 N ATOM 0 H ARG A 40 -2.125 0.821 5.866 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.409 2.965 7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.422 0.089 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.473 1.406 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.471 0.288 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.490 -0.374 7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.691 2.559 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.077 1.847 5.617 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.492 0.232 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.290 3.741 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.942 4.033 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.628 0.609 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.270 2.255 8.121 1.00 0.00 H new ATOM 586 N GLY A 41 -1.073 3.118 8.359 1.00 0.00 N ATOM 587 CA GLY A 41 0.158 3.245 9.121 1.00 0.00 C ATOM 588 C GLY A 41 1.354 3.476 8.196 1.00 0.00 C ATOM 589 O GLY A 41 1.479 2.822 7.161 1.00 0.00 O ATOM 0 H GLY A 41 -1.410 3.987 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.071 4.074 9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.319 2.343 9.711 1.00 0.00 H new ATOM 593 N PHE A 42 2.204 4.409 8.600 1.00 0.00 N ATOM 594 CA PHE A 42 3.386 4.734 7.821 1.00 0.00 C ATOM 595 C PHE A 42 4.576 5.043 8.732 1.00 0.00 C ATOM 596 O PHE A 42 4.603 6.080 9.392 1.00 0.00 O ATOM 597 CB PHE A 42 3.051 5.979 6.999 1.00 0.00 C ATOM 598 CG PHE A 42 4.133 6.369 5.989 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.350 6.789 6.426 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.877 6.295 4.656 1.00 0.00 C ATOM 601 CE1 PHE A 42 6.355 7.151 5.489 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.881 6.656 3.719 1.00 0.00 C ATOM 603 CZ PHE A 42 6.099 7.076 4.156 1.00 0.00 C ATOM 0 H PHE A 42 2.097 4.950 9.458 1.00 0.00 H new ATOM 0 HA PHE A 42 3.658 3.889 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.116 5.809 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.884 6.815 7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.553 6.847 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.910 5.962 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.322 7.486 5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.678 6.597 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.863 7.350 3.443 1.00 0.00 H new ATOM 613 N GLU A 43 5.530 4.124 8.738 1.00 0.00 N ATOM 614 CA GLU A 43 6.720 4.285 9.556 1.00 0.00 C ATOM 615 C GLU A 43 7.966 3.883 8.767 1.00 0.00 C ATOM 616 O GLU A 43 7.893 3.044 7.869 1.00 0.00 O ATOM 617 CB GLU A 43 6.607 3.479 10.851 1.00 0.00 C ATOM 618 CG GLU A 43 7.122 4.285 12.046 1.00 0.00 C ATOM 619 CD GLU A 43 8.446 3.717 12.561 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.499 2.483 12.748 1.00 0.00 O ATOM 621 OE2 GLU A 43 9.375 4.531 12.755 1.00 0.00 O ATOM 0 H GLU A 43 5.503 3.265 8.189 1.00 0.00 H new ATOM 0 HA GLU A 43 6.811 5.337 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.567 3.197 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.177 2.554 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.258 5.327 11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.381 4.271 12.845 1.00 0.00 H new ATOM 628 N ASP A 44 9.083 4.497 9.129 1.00 0.00 N ATOM 629 CA ASP A 44 10.344 4.214 8.465 1.00 0.00 C ATOM 630 C ASP A 44 10.099 4.049 6.964 1.00 0.00 C ATOM 631 O ASP A 44 10.810 3.301 6.294 1.00 0.00 O ATOM 632 CB ASP A 44 10.961 2.916 8.989 1.00 0.00 C ATOM 633 CG ASP A 44 12.428 3.022 9.410 1.00 0.00 C ATOM 634 OD1 ASP A 44 13.273 3.148 8.498 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.671 2.974 10.636 1.00 0.00 O ATOM 0 H ASP A 44 9.141 5.190 9.875 1.00 0.00 H new ATOM 0 HA ASP A 44 11.024 5.043 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.377 2.573 9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.875 2.152 8.216 1.00 0.00 H new ATOM 640 N GLY A 45 9.091 4.760 6.479 1.00 0.00 N ATOM 641 CA GLY A 45 8.745 4.702 5.070 1.00 0.00 C ATOM 642 C GLY A 45 7.805 3.529 4.784 1.00 0.00 C ATOM 643 O GLY A 45 6.836 3.672 4.040 1.00 0.00 O ATOM 0 H GLY A 45 8.503 5.379 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.269 5.636 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.651 4.600 4.473 1.00 0.00 H new ATOM 647 N ILE A 46 8.124 2.395 5.391 1.00 0.00 N ATOM 648 CA ILE A 46 7.320 1.198 5.212 1.00 0.00 C ATOM 649 C ILE A 46 5.845 1.542 5.427 1.00 0.00 C ATOM 650 O ILE A 46 5.389 1.653 6.564 1.00 0.00 O ATOM 651 CB ILE A 46 7.827 0.072 6.115 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.126 -0.525 5.572 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.748 -0.993 6.321 1.00 0.00 C ATOM 654 CD1 ILE A 46 10.338 0.282 6.040 1.00 0.00 C ATOM 0 H ILE A 46 8.928 2.280 6.007 1.00 0.00 H new ATOM 0 HA ILE A 46 7.415 0.825 4.192 1.00 0.00 H new ATOM 0 HB ILE A 46 8.053 0.495 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.222 -1.559 5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.095 -0.542 4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.134 -1.782 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.873 -0.539 6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.467 -1.418 5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.249 -0.164 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.250 1.309 5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.380 0.277 7.129 1.00 0.00 H new ATOM 666 N VAL A 47 5.140 1.704 4.316 1.00 0.00 N ATOM 667 CA VAL A 47 3.726 2.032 4.369 1.00 0.00 C ATOM 668 C VAL A 47 2.920 0.764 4.654 1.00 0.00 C ATOM 669 O VAL A 47 2.939 -0.177 3.863 1.00 0.00 O ATOM 670 CB VAL A 47 3.302 2.730 3.075 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.814 3.088 3.106 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.159 3.972 2.816 1.00 0.00 C ATOM 0 H VAL A 47 5.522 1.614 3.375 1.00 0.00 H new ATOM 0 HA VAL A 47 3.528 2.731 5.181 1.00 0.00 H new ATOM 0 HB VAL A 47 3.462 2.034 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.539 3.583 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.223 2.179 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.618 3.757 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.837 4.450 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.045 4.672 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.206 3.680 2.729 1.00 0.00 H new ATOM 682 N ARG A 48 2.234 0.779 5.788 1.00 0.00 N ATOM 683 CA ARG A 48 1.425 -0.360 6.187 1.00 0.00 C ATOM 684 C ARG A 48 0.208 -0.495 5.268 1.00 0.00 C ATOM 685 O ARG A 48 -0.659 0.377 5.249 1.00 0.00 O ATOM 686 CB ARG A 48 0.949 -0.217 7.634 1.00 0.00 C ATOM 687 CG ARG A 48 1.901 -0.928 8.597 1.00 0.00 C ATOM 688 CD ARG A 48 1.234 -1.164 9.954 1.00 0.00 C ATOM 689 NE ARG A 48 1.685 -0.143 10.924 1.00 0.00 N ATOM 690 CZ ARG A 48 1.120 0.057 12.122 1.00 0.00 C ATOM 691 NH1 ARG A 48 0.077 -0.694 12.505 1.00 0.00 N ATOM 692 NH2 ARG A 48 1.596 1.006 12.940 1.00 0.00 N ATOM 0 H ARG A 48 2.222 1.561 6.442 1.00 0.00 H new ATOM 0 HA ARG A 48 2.046 -1.252 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.883 0.839 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.053 -0.634 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.211 -1.882 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.803 -0.330 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.150 -1.123 9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.480 -2.160 10.321 1.00 0.00 H new ATOM 0 HE ARG A 48 2.476 0.446 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.286 -1.417 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.353 -0.542 13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.390 1.577 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.164 1.157 13.852 1.00 0.00 H new ATOM 706 N LEU A 49 0.184 -1.594 4.529 1.00 0.00 N ATOM 707 CA LEU A 49 -0.911 -1.854 3.610 1.00 0.00 C ATOM 708 C LEU A 49 -1.497 -3.238 3.901 1.00 0.00 C ATOM 709 O LEU A 49 -0.758 -4.184 4.168 1.00 0.00 O ATOM 710 CB LEU A 49 -0.451 -1.672 2.163 1.00 0.00 C ATOM 711 CG LEU A 49 0.519 -0.517 1.908 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.631 -0.937 0.945 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.225 0.726 1.415 1.00 0.00 C ATOM 0 H LEU A 49 0.905 -2.315 4.548 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.713 -1.130 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.022 -2.597 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.332 -1.525 1.538 1.00 0.00 H new ATOM 0 HG LEU A 49 0.993 -0.255 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.307 -0.097 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.187 -1.772 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.193 -1.242 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.488 1.532 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.744 0.494 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.950 1.038 2.167 1.00 0.00 H new ATOM 725 N LYS A 50 -2.818 -3.312 3.836 1.00 0.00 N ATOM 726 CA LYS A 50 -3.511 -4.563 4.089 1.00 0.00 C ATOM 727 C LYS A 50 -4.025 -5.133 2.765 1.00 0.00 C ATOM 728 O LYS A 50 -5.231 -5.171 2.529 1.00 0.00 O ATOM 729 CB LYS A 50 -4.605 -4.369 5.140 1.00 0.00 C ATOM 730 CG LYS A 50 -5.393 -5.662 5.358 1.00 0.00 C ATOM 731 CD LYS A 50 -6.361 -5.522 6.534 1.00 0.00 C ATOM 732 CE LYS A 50 -7.667 -4.860 6.093 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.682 -4.950 7.167 1.00 0.00 N ATOM 0 H LYS A 50 -3.427 -2.525 3.612 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.825 -5.299 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.157 -4.049 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.282 -3.576 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.948 -5.911 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.704 -6.485 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.572 -6.505 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.897 -4.930 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.485 -3.815 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.040 -5.344 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.563 -4.496 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.867 -5.950 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.330 -4.468 8.019 1.00 0.00 H new ATOM 747 N LEU A 51 -3.084 -5.559 1.935 1.00 0.00 N ATOM 748 CA LEU A 51 -3.427 -6.124 0.640 1.00 0.00 C ATOM 749 C LEU A 51 -3.304 -7.647 0.705 1.00 0.00 C ATOM 750 O LEU A 51 -2.504 -8.177 1.473 1.00 0.00 O ATOM 751 CB LEU A 51 -2.582 -5.486 -0.463 1.00 0.00 C ATOM 752 CG LEU A 51 -1.170 -6.048 -0.638 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.347 -5.871 0.639 1.00 0.00 C ATOM 754 CD2 LEU A 51 -1.215 -7.508 -1.092 1.00 0.00 C ATOM 0 H LEU A 51 -2.084 -5.524 2.134 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.463 -5.898 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.114 -5.593 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.504 -4.418 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.671 -5.480 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.652 -6.279 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.273 -4.811 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.833 -6.397 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.199 -7.884 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.739 -8.105 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.739 -7.577 -2.045 1.00 0.00 H new ATOM 766 N GLN A 52 -4.111 -8.309 -0.112 1.00 0.00 N ATOM 767 CA GLN A 52 -4.103 -9.762 -0.157 1.00 0.00 C ATOM 768 C GLN A 52 -4.455 -10.251 -1.563 1.00 0.00 C ATOM 769 O GLN A 52 -5.487 -9.874 -2.115 1.00 0.00 O ATOM 770 CB GLN A 52 -5.059 -10.348 0.883 1.00 0.00 C ATOM 771 CG GLN A 52 -4.357 -11.402 1.743 1.00 0.00 C ATOM 772 CD GLN A 52 -5.369 -12.199 2.567 1.00 0.00 C ATOM 773 OE1 GLN A 52 -6.449 -12.541 2.113 1.00 0.00 O ATOM 774 NE2 GLN A 52 -4.960 -12.478 3.802 1.00 0.00 N ATOM 0 H GLN A 52 -4.774 -7.866 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.098 -10.108 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.442 -9.551 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.917 -10.796 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.789 -12.079 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.643 -10.917 2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.044 -12.162 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.563 -13.008 4.431 1.00 0.00 H new ATOM 783 N GLY A 53 -3.577 -11.083 -2.102 1.00 0.00 N ATOM 784 CA GLY A 53 -3.782 -11.628 -3.433 1.00 0.00 C ATOM 785 C GLY A 53 -4.508 -12.974 -3.369 1.00 0.00 C ATOM 786 O GLY A 53 -5.442 -13.142 -2.587 1.00 0.00 O ATOM 0 H GLY A 53 -2.722 -11.393 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.362 -10.926 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.820 -11.753 -3.931 1.00 0.00 H new ATOM 790 N SER A 54 -4.052 -13.896 -4.203 1.00 0.00 N ATOM 791 CA SER A 54 -4.647 -15.222 -4.251 1.00 0.00 C ATOM 792 C SER A 54 -3.828 -16.194 -3.399 1.00 0.00 C ATOM 793 O SER A 54 -4.388 -17.057 -2.726 1.00 0.00 O ATOM 794 CB SER A 54 -4.743 -15.730 -5.691 1.00 0.00 C ATOM 795 OG SER A 54 -5.550 -16.901 -5.791 1.00 0.00 O ATOM 0 H SER A 54 -3.278 -13.752 -4.851 1.00 0.00 H new ATOM 0 HA SER A 54 -5.658 -15.158 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.160 -14.947 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.743 -15.946 -6.067 1.00 0.00 H new ATOM 0 HG SER A 54 -5.588 -17.193 -6.726 1.00 0.00 H new ATOM 801 N CYS A 55 -2.516 -16.020 -3.456 1.00 0.00 N ATOM 802 CA CYS A 55 -1.615 -16.871 -2.699 1.00 0.00 C ATOM 803 C CYS A 55 -0.178 -16.440 -3.001 1.00 0.00 C ATOM 804 O CYS A 55 0.062 -15.689 -3.945 1.00 0.00 O ATOM 805 CB CYS A 55 -1.843 -18.353 -3.007 1.00 0.00 C ATOM 806 SG CYS A 55 -1.850 -18.621 -4.817 1.00 0.00 S ATOM 0 H CYS A 55 -2.055 -15.302 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.812 -16.755 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.060 -18.954 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.790 -18.681 -2.579 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.042 -19.882 -5.068 1.00 0.00 H new ATOM 812 N THR A 56 0.738 -16.934 -2.182 1.00 0.00 N ATOM 813 CA THR A 56 2.145 -16.608 -2.350 1.00 0.00 C ATOM 814 C THR A 56 2.904 -17.807 -2.923 1.00 0.00 C ATOM 815 O THR A 56 4.133 -17.815 -2.943 1.00 0.00 O ATOM 816 CB THR A 56 2.685 -16.137 -0.999 1.00 0.00 C ATOM 817 OG1 THR A 56 3.928 -15.517 -1.319 1.00 0.00 O ATOM 818 CG2 THR A 56 3.073 -17.300 -0.084 1.00 0.00 C ATOM 0 H THR A 56 0.534 -17.557 -1.401 1.00 0.00 H new ATOM 0 HA THR A 56 2.282 -15.801 -3.070 1.00 0.00 H new ATOM 0 HB THR A 56 1.934 -15.522 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.385 -16.039 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.450 -16.909 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.198 -17.923 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.848 -17.898 -0.564 1.00 0.00 H new ATOM 826 N SER A 57 2.140 -18.789 -3.377 1.00 0.00 N ATOM 827 CA SER A 57 2.725 -19.990 -3.949 1.00 0.00 C ATOM 828 C SER A 57 3.950 -19.625 -4.791 1.00 0.00 C ATOM 829 O SER A 57 4.997 -20.260 -4.678 1.00 0.00 O ATOM 830 CB SER A 57 1.705 -20.748 -4.799 1.00 0.00 C ATOM 831 OG SER A 57 1.185 -21.888 -4.120 1.00 0.00 O ATOM 0 H SER A 57 1.120 -18.778 -3.360 1.00 0.00 H new ATOM 0 HA SER A 57 3.034 -20.642 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.886 -20.079 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.173 -21.064 -5.731 1.00 0.00 H new ATOM 0 HG SER A 57 0.536 -22.344 -4.696 1.00 0.00 H new ATOM 837 N CYS A 58 3.778 -18.601 -5.614 1.00 0.00 N ATOM 838 CA CYS A 58 4.857 -18.144 -6.474 1.00 0.00 C ATOM 839 C CYS A 58 5.196 -16.701 -6.093 1.00 0.00 C ATOM 840 O CYS A 58 4.394 -15.793 -6.310 1.00 0.00 O ATOM 841 CB CYS A 58 4.493 -18.273 -7.954 1.00 0.00 C ATOM 842 SG CYS A 58 2.777 -17.701 -8.230 1.00 0.00 S ATOM 0 H CYS A 58 2.909 -18.075 -5.704 1.00 0.00 H new ATOM 0 HA CYS A 58 5.735 -18.773 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.183 -17.685 -8.559 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.595 -19.310 -8.273 1.00 0.00 H new ATOM 0 HG CYS A 58 2.572 -16.604 -7.562 1.00 0.00 H new ATOM 848 N PRO A 59 6.416 -16.530 -5.518 1.00 0.00 N ATOM 849 CA PRO A 59 6.871 -15.213 -5.104 1.00 0.00 C ATOM 850 C PRO A 59 7.285 -14.372 -6.313 1.00 0.00 C ATOM 851 O PRO A 59 7.283 -13.144 -6.250 1.00 0.00 O ATOM 852 CB PRO A 59 8.018 -15.476 -4.143 1.00 0.00 C ATOM 853 CG PRO A 59 8.465 -16.905 -4.408 1.00 0.00 C ATOM 854 CD PRO A 59 7.391 -17.581 -5.244 1.00 0.00 C ATOM 0 HA PRO A 59 6.088 -14.631 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.835 -14.774 -4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.697 -15.353 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.420 -16.915 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.611 -17.440 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.805 -17.987 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.936 -18.413 -4.706 1.00 0.00 H new ATOM 862 N SER A 60 7.632 -15.068 -7.387 1.00 0.00 N ATOM 863 CA SER A 60 8.048 -14.400 -8.608 1.00 0.00 C ATOM 864 C SER A 60 7.038 -13.313 -8.982 1.00 0.00 C ATOM 865 O SER A 60 7.329 -12.124 -8.864 1.00 0.00 O ATOM 866 CB SER A 60 8.201 -15.399 -9.756 1.00 0.00 C ATOM 867 OG SER A 60 9.517 -15.389 -10.302 1.00 0.00 O ATOM 0 H SER A 60 7.633 -16.087 -7.436 1.00 0.00 H new ATOM 0 HA SER A 60 9.019 -13.938 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.965 -16.401 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.482 -15.163 -10.540 1.00 0.00 H new ATOM 0 HG SER A 60 9.574 -16.042 -11.031 1.00 0.00 H new ATOM 873 N SER A 61 5.872 -13.761 -9.423 1.00 0.00 N ATOM 874 CA SER A 61 4.817 -12.842 -9.815 1.00 0.00 C ATOM 875 C SER A 61 4.703 -11.711 -8.791 1.00 0.00 C ATOM 876 O SER A 61 4.469 -10.559 -9.155 1.00 0.00 O ATOM 877 CB SER A 61 3.478 -13.568 -9.956 1.00 0.00 C ATOM 878 OG SER A 61 3.267 -14.045 -11.281 1.00 0.00 O ATOM 0 H SER A 61 5.634 -14.748 -9.518 1.00 0.00 H new ATOM 0 HA SER A 61 5.074 -12.420 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.445 -14.406 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.668 -12.892 -9.681 1.00 0.00 H new ATOM 0 HG SER A 61 2.402 -14.504 -11.330 1.00 0.00 H new ATOM 884 N ILE A 62 4.874 -12.078 -7.530 1.00 0.00 N ATOM 885 CA ILE A 62 4.793 -11.108 -6.450 1.00 0.00 C ATOM 886 C ILE A 62 5.953 -10.119 -6.571 1.00 0.00 C ATOM 887 O ILE A 62 5.736 -8.912 -6.670 1.00 0.00 O ATOM 888 CB ILE A 62 4.728 -11.818 -5.096 1.00 0.00 C ATOM 889 CG1 ILE A 62 3.278 -12.017 -4.650 1.00 0.00 C ATOM 890 CG2 ILE A 62 5.554 -11.073 -4.046 1.00 0.00 C ATOM 891 CD1 ILE A 62 3.212 -12.509 -3.203 1.00 0.00 C ATOM 0 H ILE A 62 5.068 -13.034 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 62 3.872 -10.530 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 62 5.169 -12.809 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.733 -11.078 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.788 -12.737 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.491 -11.599 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.595 -11.028 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.166 -10.061 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.170 -12.642 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.737 -13.460 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.681 -11.775 -2.548 1.00 0.00 H new ATOM 903 N ILE A 63 7.159 -10.666 -6.558 1.00 0.00 N ATOM 904 CA ILE A 63 8.354 -9.847 -6.664 1.00 0.00 C ATOM 905 C ILE A 63 8.353 -9.124 -8.013 1.00 0.00 C ATOM 906 O ILE A 63 9.131 -8.194 -8.223 1.00 0.00 O ATOM 907 CB ILE A 63 9.607 -10.691 -6.421 1.00 0.00 C ATOM 908 CG1 ILE A 63 9.596 -11.294 -5.015 1.00 0.00 C ATOM 909 CG2 ILE A 63 10.875 -9.879 -6.687 1.00 0.00 C ATOM 910 CD1 ILE A 63 10.693 -12.351 -4.863 1.00 0.00 C ATOM 0 H ILE A 63 7.335 -11.667 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 63 8.359 -9.080 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 63 9.603 -11.521 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.741 -10.506 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.623 -11.743 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.751 -10.502 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.879 -9.539 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.901 -9.016 -6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 63 10.663 -12.764 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.531 -13.150 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.666 -11.893 -5.039 1.00 0.00 H new ATOM 922 N THR A 64 7.470 -9.577 -8.890 1.00 0.00 N ATOM 923 CA THR A 64 7.357 -8.985 -10.212 1.00 0.00 C ATOM 924 C THR A 64 6.303 -7.875 -10.211 1.00 0.00 C ATOM 925 O THR A 64 6.554 -6.775 -10.700 1.00 0.00 O ATOM 926 CB THR A 64 7.057 -10.106 -11.208 1.00 0.00 C ATOM 927 OG1 THR A 64 8.317 -10.743 -11.404 1.00 0.00 O ATOM 928 CG2 THR A 64 6.689 -9.575 -12.595 1.00 0.00 C ATOM 0 H THR A 64 6.826 -10.347 -8.711 1.00 0.00 H new ATOM 0 HA THR A 64 8.289 -8.505 -10.511 1.00 0.00 H new ATOM 0 HB THR A 64 6.242 -10.721 -10.827 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.467 -11.397 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.486 -10.412 -13.263 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.801 -8.947 -12.520 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.517 -8.987 -12.991 1.00 0.00 H new ATOM 936 N LEU A 65 5.146 -8.203 -9.655 1.00 0.00 N ATOM 937 CA LEU A 65 4.053 -7.248 -9.585 1.00 0.00 C ATOM 938 C LEU A 65 4.105 -6.519 -8.241 1.00 0.00 C ATOM 939 O LEU A 65 4.315 -5.308 -8.195 1.00 0.00 O ATOM 940 CB LEU A 65 2.716 -7.941 -9.857 1.00 0.00 C ATOM 941 CG LEU A 65 2.200 -7.861 -11.295 1.00 0.00 C ATOM 942 CD1 LEU A 65 1.334 -9.076 -11.635 1.00 0.00 C ATOM 943 CD2 LEU A 65 1.460 -6.545 -11.538 1.00 0.00 C ATOM 0 H LEU A 65 4.942 -9.116 -9.249 1.00 0.00 H new ATOM 0 HA LEU A 65 4.157 -6.492 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.812 -8.992 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.964 -7.508 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 65 3.058 -7.878 -11.968 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.980 -8.994 -12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.924 -9.986 -11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.480 -9.115 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.103 -6.513 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.612 -6.474 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.137 -5.709 -11.362 1.00 0.00 H new ATOM 955 N LYS A 66 3.911 -7.287 -7.179 1.00 0.00 N ATOM 956 CA LYS A 66 3.933 -6.730 -5.837 1.00 0.00 C ATOM 957 C LYS A 66 5.054 -5.695 -5.739 1.00 0.00 C ATOM 958 O LYS A 66 4.794 -4.511 -5.527 1.00 0.00 O ATOM 959 CB LYS A 66 4.033 -7.846 -4.795 1.00 0.00 C ATOM 960 CG LYS A 66 2.979 -7.669 -3.700 1.00 0.00 C ATOM 961 CD LYS A 66 3.238 -8.621 -2.530 1.00 0.00 C ATOM 962 CE LYS A 66 4.403 -8.125 -1.669 1.00 0.00 C ATOM 963 NZ LYS A 66 4.009 -8.080 -0.243 1.00 0.00 N ATOM 0 H LYS A 66 3.738 -8.291 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 66 2.999 -6.210 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.901 -8.814 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.028 -7.845 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.989 -6.639 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.987 -7.855 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.339 -8.705 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.460 -9.618 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.262 -8.784 -1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.711 -7.133 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.810 -7.742 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.203 -7.434 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.737 -9.033 0.072 1.00 0.00 H new ATOM 977 N SER A 67 6.278 -6.177 -5.897 1.00 0.00 N ATOM 978 CA SER A 67 7.440 -5.307 -5.828 1.00 0.00 C ATOM 979 C SER A 67 7.341 -4.216 -6.895 1.00 0.00 C ATOM 980 O SER A 67 7.552 -3.039 -6.606 1.00 0.00 O ATOM 981 CB SER A 67 8.735 -6.104 -6.004 1.00 0.00 C ATOM 982 OG SER A 67 9.555 -6.052 -4.839 1.00 0.00 O ATOM 0 H SER A 67 6.490 -7.159 -6.073 1.00 0.00 H new ATOM 0 HA SER A 67 7.461 -4.842 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.494 -7.142 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.290 -5.711 -6.856 1.00 0.00 H new ATOM 0 HG SER A 67 10.371 -6.574 -4.990 1.00 0.00 H new ATOM 988 N GLY A 68 7.018 -4.644 -8.107 1.00 0.00 N ATOM 989 CA GLY A 68 6.888 -3.718 -9.219 1.00 0.00 C ATOM 990 C GLY A 68 6.142 -2.451 -8.792 1.00 0.00 C ATOM 991 O GLY A 68 6.483 -1.351 -9.222 1.00 0.00 O ATOM 0 H GLY A 68 6.842 -5.621 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.877 -3.453 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.354 -4.200 -10.038 1.00 0.00 H new ATOM 995 N ILE A 69 5.137 -2.650 -7.951 1.00 0.00 N ATOM 996 CA ILE A 69 4.341 -1.537 -7.462 1.00 0.00 C ATOM 997 C ILE A 69 5.144 -0.761 -6.417 1.00 0.00 C ATOM 998 O ILE A 69 5.239 0.463 -6.486 1.00 0.00 O ATOM 999 CB ILE A 69 2.985 -2.032 -6.953 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.081 -2.446 -8.115 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.321 -0.986 -6.056 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.153 -3.593 -7.707 1.00 0.00 C ATOM 0 H ILE A 69 4.856 -3.564 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 69 4.118 -0.843 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 69 3.153 -2.920 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.488 -1.592 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.692 -2.752 -8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.359 -1.363 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.962 -0.782 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.167 -0.067 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.521 -3.868 -8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.750 -4.454 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.527 -3.275 -6.873 1.00 0.00 H new ATOM 1014 N GLN A 70 5.700 -1.505 -5.472 1.00 0.00 N ATOM 1015 CA GLN A 70 6.492 -0.901 -4.414 1.00 0.00 C ATOM 1016 C GLN A 70 7.442 0.148 -4.994 1.00 0.00 C ATOM 1017 O GLN A 70 7.482 1.283 -4.522 1.00 0.00 O ATOM 1018 CB GLN A 70 7.264 -1.966 -3.631 1.00 0.00 C ATOM 1019 CG GLN A 70 8.085 -1.332 -2.507 1.00 0.00 C ATOM 1020 CD GLN A 70 9.405 -2.079 -2.305 1.00 0.00 C ATOM 1021 OE1 GLN A 70 10.231 -2.184 -3.196 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.557 -2.590 -1.086 1.00 0.00 N ATOM 0 H GLN A 70 5.618 -2.520 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 70 5.815 -0.405 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.567 -2.691 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.924 -2.511 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.287 -0.287 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.511 -1.344 -1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.826 -2.465 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.405 -3.106 -0.852 1.00 0.00 H new ATOM 1031 N ASN A 71 8.183 -0.269 -6.011 1.00 0.00 N ATOM 1032 CA ASN A 71 9.130 0.622 -6.661 1.00 0.00 C ATOM 1033 C ASN A 71 8.429 1.935 -7.015 1.00 0.00 C ATOM 1034 O ASN A 71 8.819 2.999 -6.537 1.00 0.00 O ATOM 1035 CB ASN A 71 9.665 0.007 -7.956 1.00 0.00 C ATOM 1036 CG ASN A 71 11.098 -0.494 -7.776 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.980 0.219 -7.323 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.282 -1.755 -8.152 1.00 0.00 N ATOM 0 H ASN A 71 8.147 -1.211 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 71 9.959 0.793 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.023 -0.819 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.633 0.748 -8.755 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.205 -2.182 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.501 -2.296 -8.523 1.00 0.00 H new ATOM 1045 N MET A 72 7.407 1.817 -7.849 1.00 0.00 N ATOM 1046 CA MET A 72 6.648 2.981 -8.271 1.00 0.00 C ATOM 1047 C MET A 72 6.427 3.945 -7.104 1.00 0.00 C ATOM 1048 O MET A 72 6.622 5.152 -7.245 1.00 0.00 O ATOM 1049 CB MET A 72 5.295 2.535 -8.829 1.00 0.00 C ATOM 1050 CG MET A 72 4.472 3.736 -9.299 1.00 0.00 C ATOM 1051 SD MET A 72 3.348 3.236 -10.593 1.00 0.00 S ATOM 1052 CE MET A 72 2.364 2.040 -9.704 1.00 0.00 C ATOM 0 H MET A 72 7.087 0.933 -8.244 1.00 0.00 H new ATOM 0 HA MET A 72 7.216 3.500 -9.043 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.450 1.848 -9.661 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.744 1.989 -8.063 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.913 4.154 -8.462 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.134 4.521 -9.664 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.315 2.155 -9.979 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.697 1.034 -9.958 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.478 2.200 -8.632 1.00 0.00 H new ATOM 1062 N LEU A 73 6.020 3.376 -5.977 1.00 0.00 N ATOM 1063 CA LEU A 73 5.770 4.171 -4.787 1.00 0.00 C ATOM 1064 C LEU A 73 7.026 4.973 -4.441 1.00 0.00 C ATOM 1065 O LEU A 73 6.975 6.197 -4.333 1.00 0.00 O ATOM 1066 CB LEU A 73 5.274 3.281 -3.645 1.00 0.00 C ATOM 1067 CG LEU A 73 4.090 3.821 -2.840 1.00 0.00 C ATOM 1068 CD1 LEU A 73 2.874 4.052 -3.740 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.764 2.903 -1.661 1.00 0.00 C ATOM 0 H LEU A 73 5.858 2.375 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 73 4.973 4.891 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.994 2.313 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.104 3.106 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 73 4.372 4.789 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.047 4.436 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.127 4.775 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.580 3.110 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.919 3.310 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.510 1.910 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.631 2.834 -1.003 1.00 0.00 H new ATOM 1081 N GLN A 74 8.124 4.250 -4.275 1.00 0.00 N ATOM 1082 CA GLN A 74 9.391 4.879 -3.943 1.00 0.00 C ATOM 1083 C GLN A 74 9.831 5.815 -5.071 1.00 0.00 C ATOM 1084 O GLN A 74 10.364 6.893 -4.816 1.00 0.00 O ATOM 1085 CB GLN A 74 10.465 3.829 -3.652 1.00 0.00 C ATOM 1086 CG GLN A 74 10.503 3.483 -2.161 1.00 0.00 C ATOM 1087 CD GLN A 74 10.882 2.017 -1.948 1.00 0.00 C ATOM 1088 OE1 GLN A 74 12.044 1.652 -1.880 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.839 1.198 -1.847 1.00 0.00 N ATOM 0 H GLN A 74 8.162 3.235 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 74 9.254 5.471 -3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.266 2.929 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.439 4.203 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.222 4.126 -1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.529 3.679 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.891 1.569 -1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.987 0.199 -1.704 1.00 0.00 H new ATOM 1098 N PHE A 75 9.592 5.367 -6.295 1.00 0.00 N ATOM 1099 CA PHE A 75 9.956 6.151 -7.463 1.00 0.00 C ATOM 1100 C PHE A 75 9.290 7.528 -7.430 1.00 0.00 C ATOM 1101 O PHE A 75 9.962 8.550 -7.551 1.00 0.00 O ATOM 1102 CB PHE A 75 9.457 5.384 -8.690 1.00 0.00 C ATOM 1103 CG PHE A 75 9.213 6.265 -9.917 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.011 6.879 -10.085 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.198 6.434 -10.839 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.784 7.697 -11.223 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.971 7.251 -11.978 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.769 7.865 -12.146 1.00 0.00 C ATOM 0 H PHE A 75 9.151 4.471 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 75 11.035 6.301 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.186 4.615 -8.946 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.530 4.871 -8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.229 6.744 -9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.153 5.947 -10.705 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.830 8.186 -11.356 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.753 7.385 -12.711 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.597 8.486 -13.013 1.00 0.00 H new ATOM 1118 N TYR A 76 7.975 7.509 -7.265 1.00 0.00 N ATOM 1119 CA TYR A 76 7.210 8.743 -7.214 1.00 0.00 C ATOM 1120 C TYR A 76 7.457 9.488 -5.901 1.00 0.00 C ATOM 1121 O TYR A 76 7.838 10.658 -5.909 1.00 0.00 O ATOM 1122 CB TYR A 76 5.738 8.330 -7.283 1.00 0.00 C ATOM 1123 CG TYR A 76 5.209 8.149 -8.707 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.182 9.222 -9.574 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.758 6.914 -9.124 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.683 9.053 -10.914 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.258 6.744 -10.464 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.246 7.822 -11.293 1.00 0.00 C ATOM 1129 OH TYR A 76 3.775 7.662 -12.559 1.00 0.00 O ATOM 0 H TYR A 76 7.421 6.659 -7.165 1.00 0.00 H new ATOM 0 HA TYR A 76 7.497 9.406 -8.030 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.607 7.396 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.136 9.083 -6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.535 10.189 -9.247 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.780 6.074 -8.445 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.656 9.885 -11.602 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.901 5.783 -10.803 1.00 0.00 H new ATOM 0 HH TYR A 76 3.499 6.731 -12.690 1.00 0.00 H new ATOM 1139 N ILE A 77 7.231 8.780 -4.804 1.00 0.00 N ATOM 1140 CA ILE A 77 7.425 9.359 -3.486 1.00 0.00 C ATOM 1141 C ILE A 77 8.602 8.666 -2.797 1.00 0.00 C ATOM 1142 O ILE A 77 8.533 7.477 -2.490 1.00 0.00 O ATOM 1143 CB ILE A 77 6.124 9.308 -2.681 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.028 10.134 -3.357 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.358 9.741 -1.233 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.668 9.878 -2.707 1.00 0.00 C ATOM 0 H ILE A 77 6.915 7.810 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 77 7.681 10.415 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 77 5.778 8.275 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.273 11.194 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.981 9.884 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.418 9.696 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.084 9.075 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.740 10.762 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.907 10.478 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.415 8.822 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.711 10.152 -1.653 1.00 0.00 H new ATOM 1158 N PRO A 78 9.682 9.460 -2.568 1.00 0.00 N ATOM 1159 CA PRO A 78 10.872 8.936 -1.920 1.00 0.00 C ATOM 1160 C PRO A 78 10.644 8.753 -0.418 1.00 0.00 C ATOM 1161 O PRO A 78 11.484 8.182 0.275 1.00 0.00 O ATOM 1162 CB PRO A 78 11.967 9.941 -2.237 1.00 0.00 C ATOM 1163 CG PRO A 78 11.255 11.218 -2.651 1.00 0.00 C ATOM 1164 CD PRO A 78 9.799 10.874 -2.917 1.00 0.00 C ATOM 0 HA PRO A 78 11.144 7.944 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.603 10.113 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.612 9.577 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.332 11.970 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.717 11.640 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.130 11.488 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.535 11.047 -3.960 1.00 0.00 H new ATOM 1172 N GLU A 79 9.505 9.249 0.040 1.00 0.00 N ATOM 1173 CA GLU A 79 9.156 9.148 1.446 1.00 0.00 C ATOM 1174 C GLU A 79 9.133 7.682 1.883 1.00 0.00 C ATOM 1175 O GLU A 79 9.889 7.282 2.766 1.00 0.00 O ATOM 1176 CB GLU A 79 7.813 9.825 1.728 1.00 0.00 C ATOM 1177 CG GLU A 79 7.784 11.243 1.154 1.00 0.00 C ATOM 1178 CD GLU A 79 7.827 12.288 2.271 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.248 11.909 3.386 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.441 13.442 1.984 1.00 0.00 O ATOM 0 H GLU A 79 8.811 9.723 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 79 9.917 9.669 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.006 9.236 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.638 9.860 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.633 11.386 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.882 11.379 0.558 1.00 0.00 H new ATOM 1187 N VAL A 80 8.255 6.921 1.245 1.00 0.00 N ATOM 1188 CA VAL A 80 8.123 5.508 1.557 1.00 0.00 C ATOM 1189 C VAL A 80 9.449 4.801 1.268 1.00 0.00 C ATOM 1190 O VAL A 80 10.272 5.304 0.505 1.00 0.00 O ATOM 1191 CB VAL A 80 6.945 4.909 0.785 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.956 5.368 -0.675 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.947 3.382 0.880 1.00 0.00 C ATOM 0 H VAL A 80 7.628 7.257 0.514 1.00 0.00 H new ATOM 0 HA VAL A 80 7.904 5.369 2.616 1.00 0.00 H new ATOM 0 HB VAL A 80 6.025 5.272 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.109 4.928 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.884 6.455 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.884 5.048 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.100 2.982 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.874 2.993 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.868 3.082 1.925 1.00 0.00 H new ATOM 1203 N GLU A 81 9.614 3.645 1.892 1.00 0.00 N ATOM 1204 CA GLU A 81 10.825 2.862 1.711 1.00 0.00 C ATOM 1205 C GLU A 81 10.478 1.433 1.292 1.00 0.00 C ATOM 1206 O GLU A 81 11.104 0.876 0.393 1.00 0.00 O ATOM 1207 CB GLU A 81 11.677 2.869 2.982 1.00 0.00 C ATOM 1208 CG GLU A 81 12.489 4.161 3.092 1.00 0.00 C ATOM 1209 CD GLU A 81 13.949 3.864 3.437 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.458 2.844 2.924 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.525 4.663 4.208 1.00 0.00 O ATOM 0 H GLU A 81 8.929 3.231 2.524 1.00 0.00 H new ATOM 0 HA GLU A 81 11.413 3.319 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.034 2.764 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.350 2.012 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.438 4.708 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.054 4.804 3.858 1.00 0.00 H new ATOM 1218 N GLY A 82 9.478 0.880 1.964 1.00 0.00 N ATOM 1219 CA GLY A 82 9.039 -0.474 1.672 1.00 0.00 C ATOM 1220 C GLY A 82 7.533 -0.622 1.899 1.00 0.00 C ATOM 1221 O GLY A 82 6.836 0.364 2.127 1.00 0.00 O ATOM 0 H GLY A 82 8.960 1.345 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.281 -0.724 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.577 -1.179 2.305 1.00 0.00 H new ATOM 1225 N VAL A 83 7.076 -1.864 1.827 1.00 0.00 N ATOM 1226 CA VAL A 83 5.665 -2.155 2.022 1.00 0.00 C ATOM 1227 C VAL A 83 5.517 -3.259 3.070 1.00 0.00 C ATOM 1228 O VAL A 83 6.493 -3.916 3.428 1.00 0.00 O ATOM 1229 CB VAL A 83 5.015 -2.509 0.683 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.974 -1.295 -0.245 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.735 -3.684 0.018 1.00 0.00 C ATOM 0 H VAL A 83 7.657 -2.680 1.636 1.00 0.00 H new ATOM 0 HA VAL A 83 5.142 -1.277 2.400 1.00 0.00 H new ATOM 0 HB VAL A 83 3.987 -2.814 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.507 -1.575 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.396 -0.498 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.989 -0.945 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.253 -3.915 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.777 -3.419 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.688 -4.556 0.670 1.00 0.00 H new ATOM 1241 N GLU A 84 4.287 -3.429 3.533 1.00 0.00 N ATOM 1242 CA GLU A 84 3.998 -4.443 4.533 1.00 0.00 C ATOM 1243 C GLU A 84 2.535 -4.882 4.437 1.00 0.00 C ATOM 1244 O GLU A 84 1.629 -4.053 4.508 1.00 0.00 O ATOM 1245 CB GLU A 84 4.327 -3.937 5.939 1.00 0.00 C ATOM 1246 CG GLU A 84 4.883 -5.063 6.811 1.00 0.00 C ATOM 1247 CD GLU A 84 3.755 -5.819 7.515 1.00 0.00 C ATOM 1248 OE1 GLU A 84 3.171 -6.709 6.860 1.00 0.00 O ATOM 1249 OE2 GLU A 84 3.501 -5.490 8.695 1.00 0.00 O ATOM 0 H GLU A 84 3.480 -2.882 3.234 1.00 0.00 H new ATOM 0 HA GLU A 84 4.631 -5.309 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.054 -3.127 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.430 -3.525 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.460 -5.754 6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.567 -4.650 7.552 1.00 0.00 H new ATOM 1256 N GLN A 85 2.350 -6.184 4.277 1.00 0.00 N ATOM 1257 CA GLN A 85 1.013 -6.741 4.171 1.00 0.00 C ATOM 1258 C GLN A 85 0.393 -6.906 5.561 1.00 0.00 C ATOM 1259 O GLN A 85 0.361 -8.010 6.103 1.00 0.00 O ATOM 1260 CB GLN A 85 1.033 -8.074 3.419 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.361 -8.429 2.895 1.00 0.00 C ATOM 1262 CD GLN A 85 -0.844 -9.759 3.479 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.405 -10.598 2.795 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -0.596 -9.901 4.777 1.00 0.00 N ATOM 0 H GLN A 85 3.104 -6.869 4.218 1.00 0.00 H new ATOM 0 HA GLN A 85 0.396 -6.047 3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.734 -8.016 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.389 -8.864 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.064 -7.637 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.339 -8.492 1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.122 -9.158 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.880 -10.753 5.260 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.082 -5.791 6.097 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.697 -5.799 7.414 1.00 0.00 C ATOM 1275 C VAL A 86 -1.977 -6.636 7.369 1.00 0.00 C ATOM 1276 O VAL A 86 -2.676 -6.655 6.358 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.940 -4.363 7.886 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.383 -3.650 8.174 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.772 -3.583 6.864 1.00 0.00 C ATOM 0 H VAL A 86 -0.054 -4.877 5.644 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.031 -6.260 8.144 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.507 -4.407 8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.183 -2.632 8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.924 -4.187 8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.986 -3.622 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.930 -2.566 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.243 -3.553 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.736 -4.074 6.729 1.00 0.00 H new ATOM 1289 N SER A 87 -2.244 -7.310 8.479 1.00 0.00 N ATOM 1290 CA SER A 87 -3.426 -8.148 8.579 1.00 0.00 C ATOM 1291 C SER A 87 -3.461 -9.146 7.420 1.00 0.00 C ATOM 1292 O SER A 87 -3.791 -8.781 6.292 1.00 0.00 O ATOM 1293 CB SER A 87 -4.702 -7.303 8.590 1.00 0.00 C ATOM 1294 OG SER A 87 -5.058 -6.892 9.907 1.00 0.00 O ATOM 0 H SER A 87 -1.662 -7.292 9.316 1.00 0.00 H new ATOM 0 HA SER A 87 -3.377 -8.696 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.560 -6.424 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.521 -7.877 8.155 1.00 0.00 H new ATOM 0 HG SER A 87 -5.876 -6.354 9.872 1.00 0.00 H new ATOM 1300 N GLY A 88 -3.115 -10.385 7.738 1.00 0.00 N ATOM 1301 CA GLY A 88 -3.102 -11.437 6.735 1.00 0.00 C ATOM 1302 C GLY A 88 -2.143 -12.561 7.133 1.00 0.00 C ATOM 1303 O GLY A 88 -1.052 -12.677 6.577 1.00 0.00 O ATOM 0 H GLY A 88 -2.842 -10.684 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.108 -11.839 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.803 -11.023 5.772 1.00 0.00 H new ATOM 1307 N PRO A 89 -2.595 -13.381 8.120 1.00 0.00 N ATOM 1308 CA PRO A 89 -1.789 -14.491 8.599 1.00 0.00 C ATOM 1309 C PRO A 89 -1.790 -15.643 7.593 1.00 0.00 C ATOM 1310 O PRO A 89 -2.393 -15.540 6.525 1.00 0.00 O ATOM 1311 CB PRO A 89 -2.399 -14.871 9.938 1.00 0.00 C ATOM 1312 CG PRO A 89 -3.797 -14.274 9.944 1.00 0.00 C ATOM 1313 CD PRO A 89 -3.882 -13.274 8.803 1.00 0.00 C ATOM 0 HA PRO A 89 -0.738 -14.228 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.436 -15.954 10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.804 -14.480 10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.546 -15.056 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.999 -13.784 10.897 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.708 -13.509 8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.051 -12.263 9.174 1.00 0.00 H new ATOM 1321 N SER A 90 -1.108 -16.716 7.969 1.00 0.00 N ATOM 1322 CA SER A 90 -1.023 -17.886 7.112 1.00 0.00 C ATOM 1323 C SER A 90 -0.773 -17.459 5.665 1.00 0.00 C ATOM 1324 O SER A 90 -1.717 -17.211 4.915 1.00 0.00 O ATOM 1325 CB SER A 90 -2.295 -18.731 7.205 1.00 0.00 C ATOM 1326 OG SER A 90 -2.007 -20.124 7.292 1.00 0.00 O ATOM 0 H SER A 90 -0.610 -16.799 8.855 1.00 0.00 H new ATOM 0 HA SER A 90 -0.188 -18.498 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.870 -18.425 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.919 -18.544 6.331 1.00 0.00 H new ATOM 0 HG SER A 90 -2.845 -20.628 7.351 1.00 0.00 H new ATOM 1332 N SER A 91 0.502 -17.385 5.314 1.00 0.00 N ATOM 1333 CA SER A 91 0.887 -16.992 3.970 1.00 0.00 C ATOM 1334 C SER A 91 0.374 -15.582 3.670 1.00 0.00 C ATOM 1335 O SER A 91 -0.689 -15.419 3.073 1.00 0.00 O ATOM 1336 CB SER A 91 0.356 -17.982 2.932 1.00 0.00 C ATOM 1337 OG SER A 91 1.219 -19.106 2.774 1.00 0.00 O ATOM 0 H SER A 91 1.282 -17.591 5.938 1.00 0.00 H new ATOM 0 HA SER A 91 1.975 -16.996 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.634 -18.325 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.241 -17.476 1.974 1.00 0.00 H new ATOM 0 HG SER A 91 0.844 -19.715 2.104 1.00 0.00 H new ATOM 1343 N GLY A 92 1.154 -14.600 4.096 1.00 0.00 N ATOM 1344 CA GLY A 92 0.791 -13.209 3.881 1.00 0.00 C ATOM 1345 C GLY A 92 1.829 -12.501 3.008 1.00 0.00 C ATOM 1346 O GLY A 92 1.476 -11.715 2.131 1.00 0.00 O ATOM 0 H GLY A 92 2.036 -14.739 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.188 -13.154 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.708 -12.698 4.840 1.00 0.00 H new TER 1350 GLY A 92