USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 745 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 7 THR OG1 : rot -32:sc= 1.22 USER MOD Set 1.2: A 10 ASN : amide:sc= 1.47 K(o=2.7,f=-6.3!) USER MOD Single : A 13 SER OG : rot -42:sc= 1.25 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -83:sc= 1.23 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 179:sc= 0 (180deg=-0.000729) USER MOD Single : A 43 TYR OH : rot 165:sc= 1.21 USER MOD Single : A 48 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.14) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.524 K(o=0.52,f=-2.8!) USER MOD Single : A 65 THR OG1 : rot -37:sc= 1.28 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -126:sc= 0.0889 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= 2.07 (180deg=1.92) USER MOD Single : A 91 TYR OH : rot -4:sc= 0.472 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 78:sc= 1.27 USER MOD Single : A 103 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -2.552 -0.015 11.941 1.00 0.00 N ATOM 15 CA ASP A 2 -1.918 -1.290 11.547 1.00 0.00 C ATOM 16 C ASP A 2 -1.093 -1.168 10.246 1.00 0.00 C ATOM 17 O ASP A 2 -0.239 -2.017 9.973 1.00 0.00 O ATOM 18 CB ASP A 2 -2.993 -2.384 11.440 1.00 0.00 C ATOM 19 CG ASP A 2 -2.359 -3.789 11.497 1.00 0.00 C ATOM 20 OD1 ASP A 2 -1.845 -4.171 12.574 1.00 0.00 O ATOM 21 OD2 ASP A 2 -2.386 -4.518 10.476 1.00 0.00 O ATOM 0 HA ASP A 2 -1.203 -1.567 12.322 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.712 -2.273 12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.544 -2.267 10.507 1.00 0.00 H new ATOM 26 N VAL A 3 -1.307 -0.106 9.454 1.00 0.00 N ATOM 27 CA VAL A 3 -0.493 0.222 8.270 1.00 0.00 C ATOM 28 C VAL A 3 0.914 0.681 8.702 1.00 0.00 C ATOM 29 O VAL A 3 1.057 1.505 9.610 1.00 0.00 O ATOM 30 CB VAL A 3 -1.193 1.325 7.444 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.350 1.840 6.274 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.516 0.829 6.853 1.00 0.00 C ATOM 0 H VAL A 3 -2.062 0.560 9.619 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.388 -0.668 7.650 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.354 2.135 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.903 2.612 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.582 2.259 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.128 1.016 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.981 1.630 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.326 -0.023 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.184 0.526 7.659 1.00 0.00 H new ATOM 42 N LEU A 4 1.961 0.168 8.043 1.00 0.00 N ATOM 43 CA LEU A 4 3.351 0.594 8.245 1.00 0.00 C ATOM 44 C LEU A 4 3.610 2.020 7.724 1.00 0.00 C ATOM 45 O LEU A 4 3.069 2.424 6.695 1.00 0.00 O ATOM 46 CB LEU A 4 4.290 -0.387 7.518 1.00 0.00 C ATOM 47 CG LEU A 4 4.314 -1.833 8.038 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.238 -2.666 7.141 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.837 -1.902 9.473 1.00 0.00 C ATOM 0 H LEU A 4 1.864 -0.567 7.343 1.00 0.00 H new ATOM 0 HA LEU A 4 3.543 0.595 9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.010 -0.409 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.304 0.010 7.570 1.00 0.00 H new ATOM 0 HG LEU A 4 3.295 -2.220 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.263 -3.695 7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.864 -2.648 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.244 -2.248 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.841 -2.939 9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.851 -1.505 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.192 -1.312 10.124 1.00 0.00 H new ATOM 61 N GLU A 5 4.507 2.759 8.381 1.00 0.00 N ATOM 62 CA GLU A 5 4.852 4.143 8.034 1.00 0.00 C ATOM 63 C GLU A 5 6.320 4.212 7.597 1.00 0.00 C ATOM 64 O GLU A 5 7.238 4.266 8.421 1.00 0.00 O ATOM 65 CB GLU A 5 4.551 5.086 9.212 1.00 0.00 C ATOM 66 CG GLU A 5 3.061 5.144 9.561 1.00 0.00 C ATOM 67 CD GLU A 5 2.790 6.248 10.602 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.553 7.412 10.193 1.00 0.00 O ATOM 69 OE2 GLU A 5 2.809 5.962 11.826 1.00 0.00 O ATOM 0 H GLU A 5 5.025 2.406 9.186 1.00 0.00 H new ATOM 0 HA GLU A 5 4.237 4.475 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.112 4.757 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.901 6.089 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.478 5.335 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.736 4.180 9.952 1.00 0.00 H new ATOM 76 N LEU A 6 6.549 4.155 6.283 1.00 0.00 N ATOM 77 CA LEU A 6 7.874 3.978 5.687 1.00 0.00 C ATOM 78 C LEU A 6 8.421 5.263 5.049 1.00 0.00 C ATOM 79 O LEU A 6 7.676 6.137 4.604 1.00 0.00 O ATOM 80 CB LEU A 6 7.833 2.800 4.693 1.00 0.00 C ATOM 81 CG LEU A 6 7.273 1.482 5.270 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.398 0.373 4.231 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.000 1.031 6.536 1.00 0.00 C ATOM 0 H LEU A 6 5.804 4.232 5.591 1.00 0.00 H new ATOM 0 HA LEU A 6 8.578 3.741 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.228 3.090 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.843 2.619 4.325 1.00 0.00 H new ATOM 0 HG LEU A 6 6.231 1.673 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.002 -0.556 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.834 0.645 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.447 0.236 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.562 0.100 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.055 0.874 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.902 1.798 7.305 1.00 0.00 H new ATOM 95 N THR A 7 9.747 5.348 4.994 1.00 0.00 N ATOM 96 CA THR A 7 10.520 6.502 4.499 1.00 0.00 C ATOM 97 C THR A 7 11.783 6.053 3.755 1.00 0.00 C ATOM 98 O THR A 7 12.132 4.870 3.771 1.00 0.00 O ATOM 99 CB THR A 7 10.938 7.437 5.657 1.00 0.00 C ATOM 100 OG1 THR A 7 11.923 6.850 6.480 1.00 0.00 O ATOM 101 CG2 THR A 7 9.791 7.875 6.568 1.00 0.00 C ATOM 0 H THR A 7 10.347 4.584 5.305 1.00 0.00 H new ATOM 0 HA THR A 7 9.867 7.041 3.812 1.00 0.00 H new ATOM 0 HB THR A 7 11.325 8.316 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.789 5.880 6.510 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.177 8.528 7.351 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.046 8.413 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.331 6.997 7.022 1.00 0.00 H new ATOM 109 N ASP A 8 12.518 6.996 3.160 1.00 0.00 N ATOM 110 CA ASP A 8 13.843 6.765 2.552 1.00 0.00 C ATOM 111 C ASP A 8 14.852 6.058 3.484 1.00 0.00 C ATOM 112 O ASP A 8 15.756 5.366 3.011 1.00 0.00 O ATOM 113 CB ASP A 8 14.399 8.128 2.105 1.00 0.00 C ATOM 114 CG ASP A 8 15.755 8.018 1.378 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.803 7.454 0.257 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.771 8.527 1.909 1.00 0.00 O ATOM 0 H ASP A 8 12.207 7.964 3.083 1.00 0.00 H new ATOM 0 HA ASP A 8 13.707 6.086 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.677 8.610 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.512 8.772 2.977 1.00 0.00 H new ATOM 121 N ASP A 9 14.708 6.196 4.809 1.00 0.00 N ATOM 122 CA ASP A 9 15.611 5.615 5.811 1.00 0.00 C ATOM 123 C ASP A 9 15.342 4.128 6.126 1.00 0.00 C ATOM 124 O ASP A 9 16.254 3.429 6.587 1.00 0.00 O ATOM 125 CB ASP A 9 15.470 6.442 7.095 1.00 0.00 C ATOM 126 CG ASP A 9 16.536 6.093 8.143 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.741 6.349 7.893 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.177 5.589 9.240 1.00 0.00 O ATOM 0 H ASP A 9 13.942 6.727 5.223 1.00 0.00 H new ATOM 0 HA ASP A 9 16.620 5.648 5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.541 7.502 6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.480 6.279 7.521 1.00 0.00 H new ATOM 133 N ASN A 10 14.117 3.641 5.878 1.00 0.00 N ATOM 134 CA ASN A 10 13.663 2.319 6.344 1.00 0.00 C ATOM 135 C ASN A 10 12.837 1.473 5.354 1.00 0.00 C ATOM 136 O ASN A 10 12.718 0.267 5.567 1.00 0.00 O ATOM 137 CB ASN A 10 12.913 2.489 7.684 1.00 0.00 C ATOM 138 CG ASN A 10 11.584 3.231 7.581 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.453 4.240 6.910 1.00 0.00 O ATOM 140 ND2 ASN A 10 10.541 2.766 8.222 1.00 0.00 N ATOM 0 H ASN A 10 13.411 4.152 5.348 1.00 0.00 H new ATOM 0 HA ASN A 10 14.574 1.733 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.731 1.503 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.559 3.023 8.381 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.644 3.247 8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.626 1.923 8.790 1.00 0.00 H new ATOM 147 N PHE A 11 12.309 2.028 4.256 1.00 0.00 N ATOM 148 CA PHE A 11 11.593 1.248 3.230 1.00 0.00 C ATOM 149 C PHE A 11 12.428 0.069 2.699 1.00 0.00 C ATOM 150 O PHE A 11 11.926 -1.045 2.551 1.00 0.00 O ATOM 151 CB PHE A 11 11.166 2.203 2.098 1.00 0.00 C ATOM 152 CG PHE A 11 10.406 1.556 0.948 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.106 1.014 -0.151 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.001 1.494 0.977 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.401 0.406 -1.209 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.296 0.897 -0.081 1.00 0.00 C ATOM 157 CZ PHE A 11 8.996 0.350 -1.170 1.00 0.00 C ATOM 0 H PHE A 11 12.364 3.026 4.051 1.00 0.00 H new ATOM 0 HA PHE A 11 10.709 0.798 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.544 2.990 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.058 2.684 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.184 1.065 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.462 1.907 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.937 -0.015 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.217 0.858 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.453 -0.115 -1.980 1.00 0.00 H new ATOM 167 N GLU A 12 13.738 0.278 2.510 1.00 0.00 N ATOM 168 CA GLU A 12 14.707 -0.728 2.028 1.00 0.00 C ATOM 169 C GLU A 12 14.928 -1.930 2.979 1.00 0.00 C ATOM 170 O GLU A 12 15.573 -2.908 2.599 1.00 0.00 O ATOM 171 CB GLU A 12 16.058 -0.051 1.747 1.00 0.00 C ATOM 172 CG GLU A 12 15.995 0.975 0.609 1.00 0.00 C ATOM 173 CD GLU A 12 17.415 1.442 0.234 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.965 2.345 0.916 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.991 0.910 -0.747 1.00 0.00 O ATOM 0 H GLU A 12 14.172 1.183 2.694 1.00 0.00 H new ATOM 0 HA GLU A 12 14.268 -1.142 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.405 0.443 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.795 -0.815 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.508 0.535 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.392 1.830 0.914 1.00 0.00 H new ATOM 182 N SER A 13 14.381 -1.889 4.199 1.00 0.00 N ATOM 183 CA SER A 13 14.385 -3.025 5.140 1.00 0.00 C ATOM 184 C SER A 13 13.144 -3.924 5.030 1.00 0.00 C ATOM 185 O SER A 13 13.175 -5.087 5.445 1.00 0.00 O ATOM 186 CB SER A 13 14.509 -2.505 6.579 1.00 0.00 C ATOM 187 OG SER A 13 13.309 -1.874 7.007 1.00 0.00 O ATOM 0 H SER A 13 13.917 -1.059 4.569 1.00 0.00 H new ATOM 0 HA SER A 13 15.243 -3.641 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.745 -3.333 7.248 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.336 -1.798 6.642 1.00 0.00 H new ATOM 0 HG SER A 13 12.954 -1.320 6.281 1.00 0.00 H new ATOM 193 N ARG A 14 12.048 -3.397 4.471 1.00 0.00 N ATOM 194 CA ARG A 14 10.714 -4.035 4.481 1.00 0.00 C ATOM 195 C ARG A 14 10.392 -4.833 3.233 1.00 0.00 C ATOM 196 O ARG A 14 9.622 -5.786 3.303 1.00 0.00 O ATOM 197 CB ARG A 14 9.654 -2.937 4.619 1.00 0.00 C ATOM 198 CG ARG A 14 9.642 -2.245 5.991 1.00 0.00 C ATOM 199 CD ARG A 14 9.251 -3.204 7.125 1.00 0.00 C ATOM 200 NE ARG A 14 9.080 -2.493 8.406 1.00 0.00 N ATOM 201 CZ ARG A 14 8.526 -2.979 9.505 1.00 0.00 C ATOM 202 NH1 ARG A 14 8.016 -4.177 9.565 1.00 0.00 N ATOM 203 NH2 ARG A 14 8.467 -2.248 10.582 1.00 0.00 N ATOM 0 H ARG A 14 12.057 -2.498 3.988 1.00 0.00 H new ATOM 0 HA ARG A 14 10.716 -4.736 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.822 -2.186 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.671 -3.371 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.629 -1.829 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.943 -1.409 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.324 -3.715 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.018 -3.971 7.234 1.00 0.00 H new ATOM 0 HE ARG A 14 9.422 -1.533 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.034 -4.781 8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.599 -4.511 10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.848 -1.302 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.040 -2.622 11.429 1.00 0.00 H new ATOM 217 N ILE A 15 11.013 -4.497 2.101 1.00 0.00 N ATOM 218 CA ILE A 15 10.803 -5.201 0.822 1.00 0.00 C ATOM 219 C ILE A 15 11.178 -6.693 0.913 1.00 0.00 C ATOM 220 O ILE A 15 10.642 -7.526 0.182 1.00 0.00 O ATOM 221 CB ILE A 15 11.477 -4.470 -0.368 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.937 -4.877 -0.671 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.359 -2.938 -0.233 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.933 -4.534 0.438 1.00 0.00 C ATOM 0 H ILE A 15 11.679 -3.727 2.039 1.00 0.00 H new ATOM 0 HA ILE A 15 9.733 -5.176 0.615 1.00 0.00 H new ATOM 0 HB ILE A 15 10.908 -4.810 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.971 -5.951 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.254 -4.387 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.843 -2.459 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.307 -2.655 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.844 -2.615 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.932 -4.854 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.933 -3.457 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.645 -5.046 1.356 1.00 0.00 H new ATOM 236 N SER A 16 12.044 -7.039 1.868 1.00 0.00 N ATOM 237 CA SER A 16 12.521 -8.406 2.137 1.00 0.00 C ATOM 238 C SER A 16 11.538 -9.239 2.973 1.00 0.00 C ATOM 239 O SER A 16 11.631 -10.466 2.994 1.00 0.00 O ATOM 240 CB SER A 16 13.865 -8.346 2.882 1.00 0.00 C ATOM 241 OG SER A 16 14.822 -7.585 2.162 1.00 0.00 O ATOM 0 H SER A 16 12.451 -6.351 2.502 1.00 0.00 H new ATOM 0 HA SER A 16 12.624 -8.893 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.717 -7.907 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.243 -9.357 3.036 1.00 0.00 H new ATOM 0 HG SER A 16 15.665 -7.563 2.661 1.00 0.00 H new ATOM 247 N ASP A 17 10.574 -8.604 3.648 1.00 0.00 N ATOM 248 CA ASP A 17 9.540 -9.280 4.450 1.00 0.00 C ATOM 249 C ASP A 17 8.443 -9.943 3.591 1.00 0.00 C ATOM 250 O ASP A 17 7.609 -10.703 4.090 1.00 0.00 O ATOM 251 CB ASP A 17 8.936 -8.262 5.428 1.00 0.00 C ATOM 252 CG ASP A 17 8.102 -8.931 6.536 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.668 -9.745 7.309 1.00 0.00 O ATOM 254 OD2 ASP A 17 6.898 -8.601 6.679 1.00 0.00 O ATOM 0 H ASP A 17 10.486 -7.588 3.655 1.00 0.00 H new ATOM 0 HA ASP A 17 10.014 -10.095 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.738 -7.680 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.307 -7.563 4.877 1.00 0.00 H new ATOM 259 N THR A 18 8.467 -9.678 2.278 1.00 0.00 N ATOM 260 CA THR A 18 7.527 -10.205 1.273 1.00 0.00 C ATOM 261 C THR A 18 7.485 -11.726 1.158 1.00 0.00 C ATOM 262 O THR A 18 6.462 -12.259 0.744 1.00 0.00 O ATOM 263 CB THR A 18 7.832 -9.649 -0.124 1.00 0.00 C ATOM 264 OG1 THR A 18 9.197 -9.770 -0.461 1.00 0.00 O ATOM 265 CG2 THR A 18 7.420 -8.184 -0.220 1.00 0.00 C ATOM 0 H THR A 18 9.171 -9.065 1.867 1.00 0.00 H new ATOM 0 HA THR A 18 6.555 -9.873 1.638 1.00 0.00 H new ATOM 0 HB THR A 18 7.254 -10.244 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.697 -9.021 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.644 -7.808 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.351 -8.094 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.970 -7.602 0.519 1.00 0.00 H new ATOM 273 N GLY A 19 8.542 -12.437 1.551 1.00 0.00 N ATOM 274 CA GLY A 19 8.630 -13.903 1.492 1.00 0.00 C ATOM 275 C GLY A 19 7.440 -14.653 2.128 1.00 0.00 C ATOM 276 O GLY A 19 7.055 -15.722 1.645 1.00 0.00 O ATOM 0 H GLY A 19 9.384 -12.002 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.715 -14.205 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.547 -14.218 1.991 1.00 0.00 H new ATOM 280 N SER A 20 6.826 -14.075 3.173 1.00 0.00 N ATOM 281 CA SER A 20 5.661 -14.641 3.872 1.00 0.00 C ATOM 282 C SER A 20 4.296 -14.385 3.203 1.00 0.00 C ATOM 283 O SER A 20 3.305 -15.023 3.569 1.00 0.00 O ATOM 284 CB SER A 20 5.606 -14.073 5.291 1.00 0.00 C ATOM 285 OG SER A 20 6.729 -14.491 6.057 1.00 0.00 O ATOM 0 H SER A 20 7.132 -13.184 3.563 1.00 0.00 H new ATOM 0 HA SER A 20 5.813 -15.720 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.576 -12.984 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.688 -14.398 5.780 1.00 0.00 H new ATOM 0 HG SER A 20 6.669 -14.112 6.959 1.00 0.00 H new ATOM 291 N ALA A 21 4.235 -13.484 2.222 1.00 0.00 N ATOM 292 CA ALA A 21 3.005 -13.019 1.564 1.00 0.00 C ATOM 293 C ALA A 21 3.048 -13.071 0.023 1.00 0.00 C ATOM 294 O ALA A 21 2.025 -12.873 -0.638 1.00 0.00 O ATOM 295 CB ALA A 21 2.754 -11.591 2.059 1.00 0.00 C ATOM 0 H ALA A 21 5.072 -13.038 1.846 1.00 0.00 H new ATOM 0 HA ALA A 21 2.192 -13.695 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.848 -11.200 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.635 -11.597 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.600 -10.959 1.790 1.00 0.00 H new ATOM 301 N GLY A 22 4.227 -13.303 -0.563 1.00 0.00 N ATOM 302 CA GLY A 22 4.495 -13.257 -2.010 1.00 0.00 C ATOM 303 C GLY A 22 4.709 -11.846 -2.577 1.00 0.00 C ATOM 304 O GLY A 22 5.439 -11.680 -3.552 1.00 0.00 O ATOM 0 H GLY A 22 5.059 -13.538 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.380 -13.857 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.661 -13.723 -2.535 1.00 0.00 H new ATOM 308 N LEU A 23 4.115 -10.814 -1.967 1.00 0.00 N ATOM 309 CA LEU A 23 4.233 -9.403 -2.365 1.00 0.00 C ATOM 310 C LEU A 23 3.999 -8.442 -1.185 1.00 0.00 C ATOM 311 O LEU A 23 3.573 -8.858 -0.106 1.00 0.00 O ATOM 312 CB LEU A 23 3.280 -9.134 -3.561 1.00 0.00 C ATOM 313 CG LEU A 23 1.760 -9.215 -3.293 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.194 -7.944 -2.656 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.023 -9.418 -4.620 1.00 0.00 C ATOM 0 H LEU A 23 3.516 -10.942 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 23 5.256 -9.207 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.501 -8.140 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.521 -9.846 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 23 1.614 -10.046 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.123 -8.064 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.688 -7.764 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.367 -7.096 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.050 -9.476 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.232 -8.580 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.361 -10.343 -5.086 1.00 0.00 H new ATOM 327 N MET A 24 4.241 -7.150 -1.420 1.00 0.00 N ATOM 328 CA MET A 24 3.882 -6.038 -0.524 1.00 0.00 C ATOM 329 C MET A 24 2.999 -5.038 -1.283 1.00 0.00 C ATOM 330 O MET A 24 3.189 -4.830 -2.485 1.00 0.00 O ATOM 331 CB MET A 24 5.165 -5.366 0.009 1.00 0.00 C ATOM 332 CG MET A 24 4.911 -4.134 0.886 1.00 0.00 C ATOM 333 SD MET A 24 6.406 -3.417 1.637 1.00 0.00 S ATOM 334 CE MET A 24 7.180 -2.647 0.185 1.00 0.00 C ATOM 0 H MET A 24 4.709 -6.834 -2.269 1.00 0.00 H new ATOM 0 HA MET A 24 3.318 -6.412 0.331 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.733 -6.097 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.787 -5.074 -0.837 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.421 -3.370 0.283 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.216 -4.407 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.102 -2.149 0.485 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.407 -3.414 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.496 -1.916 -0.247 1.00 0.00 H new ATOM 344 N LEU A 25 2.074 -4.399 -0.566 1.00 0.00 N ATOM 345 CA LEU A 25 1.238 -3.308 -1.070 1.00 0.00 C ATOM 346 C LEU A 25 1.614 -2.014 -0.333 1.00 0.00 C ATOM 347 O LEU A 25 1.769 -2.003 0.891 1.00 0.00 O ATOM 348 CB LEU A 25 -0.242 -3.676 -0.861 1.00 0.00 C ATOM 349 CG LEU A 25 -1.264 -2.662 -1.417 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.302 -2.643 -2.945 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.668 -3.039 -0.953 1.00 0.00 C ATOM 0 H LEU A 25 1.880 -4.632 0.408 1.00 0.00 H new ATOM 0 HA LEU A 25 1.400 -3.150 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.427 -4.644 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.421 -3.797 0.207 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.954 -1.684 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.038 -1.912 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.319 -2.372 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.577 -3.631 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.387 -2.321 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.915 -4.037 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.706 -3.029 0.136 1.00 0.00 H new ATOM 363 N VAL A 26 1.758 -0.911 -1.071 1.00 0.00 N ATOM 364 CA VAL A 26 2.100 0.403 -0.512 1.00 0.00 C ATOM 365 C VAL A 26 1.201 1.490 -1.104 1.00 0.00 C ATOM 366 O VAL A 26 0.858 1.439 -2.281 1.00 0.00 O ATOM 367 CB VAL A 26 3.607 0.706 -0.671 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.052 0.776 -2.130 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.022 2.003 0.032 1.00 0.00 C ATOM 0 H VAL A 26 1.640 -0.903 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 26 1.909 0.389 0.561 1.00 0.00 H new ATOM 0 HB VAL A 26 4.107 -0.137 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.120 0.992 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.854 -0.179 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.501 1.565 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.090 2.169 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.465 2.840 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.806 1.924 1.098 1.00 0.00 H new ATOM 379 N GLU A 27 0.821 2.477 -0.295 1.00 0.00 N ATOM 380 CA GLU A 27 -0.009 3.621 -0.680 1.00 0.00 C ATOM 381 C GLU A 27 0.821 4.906 -0.576 1.00 0.00 C ATOM 382 O GLU A 27 1.060 5.443 0.510 1.00 0.00 O ATOM 383 CB GLU A 27 -1.284 3.670 0.177 1.00 0.00 C ATOM 384 CG GLU A 27 -2.229 4.785 -0.291 1.00 0.00 C ATOM 385 CD GLU A 27 -3.507 4.798 0.572 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.414 3.977 0.306 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.610 5.641 1.499 1.00 0.00 O ATOM 0 H GLU A 27 1.093 2.504 0.688 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.334 3.517 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.797 2.710 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.017 3.832 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.726 5.750 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.490 4.634 -1.338 1.00 0.00 H new ATOM 394 N PHE A 28 1.295 5.389 -1.719 1.00 0.00 N ATOM 395 CA PHE A 28 1.984 6.672 -1.803 1.00 0.00 C ATOM 396 C PHE A 28 0.956 7.814 -1.844 1.00 0.00 C ATOM 397 O PHE A 28 0.045 7.799 -2.676 1.00 0.00 O ATOM 398 CB PHE A 28 2.845 6.698 -3.067 1.00 0.00 C ATOM 399 CG PHE A 28 3.978 5.688 -3.103 1.00 0.00 C ATOM 400 CD1 PHE A 28 5.183 5.968 -2.426 1.00 0.00 C ATOM 401 CD2 PHE A 28 3.869 4.496 -3.849 1.00 0.00 C ATOM 402 CE1 PHE A 28 6.258 5.064 -2.463 1.00 0.00 C ATOM 403 CE2 PHE A 28 4.949 3.595 -3.895 1.00 0.00 C ATOM 404 CZ PHE A 28 6.137 3.874 -3.196 1.00 0.00 C ATOM 0 H PHE A 28 1.213 4.903 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 28 2.620 6.804 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.200 6.527 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.267 7.697 -3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.281 6.890 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.958 4.275 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.172 5.284 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.865 2.685 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.957 3.172 -3.224 1.00 0.00 H new ATOM 414 N PHE A 29 1.098 8.819 -0.976 1.00 0.00 N ATOM 415 CA PHE A 29 0.251 10.018 -0.981 1.00 0.00 C ATOM 416 C PHE A 29 0.990 11.242 -0.424 1.00 0.00 C ATOM 417 O PHE A 29 2.092 11.132 0.092 1.00 0.00 O ATOM 418 CB PHE A 29 -1.065 9.747 -0.226 1.00 0.00 C ATOM 419 CG PHE A 29 -0.966 9.573 1.283 1.00 0.00 C ATOM 420 CD1 PHE A 29 -0.951 10.699 2.132 1.00 0.00 C ATOM 421 CD2 PHE A 29 -0.954 8.282 1.846 1.00 0.00 C ATOM 422 CE1 PHE A 29 -0.910 10.538 3.526 1.00 0.00 C ATOM 423 CE2 PHE A 29 -0.941 8.122 3.244 1.00 0.00 C ATOM 424 CZ PHE A 29 -0.909 9.248 4.085 1.00 0.00 C ATOM 0 H PHE A 29 1.809 8.825 -0.244 1.00 0.00 H new ATOM 0 HA PHE A 29 0.004 10.254 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.749 10.571 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.517 8.847 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.971 11.692 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.955 7.414 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.879 11.405 4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.956 7.131 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.884 9.122 5.157 1.00 0.00 H new ATOM 434 N ALA A 30 0.372 12.419 -0.487 1.00 0.00 N ATOM 435 CA ALA A 30 0.832 13.640 0.176 1.00 0.00 C ATOM 436 C ALA A 30 -0.393 14.374 0.764 1.00 0.00 C ATOM 437 O ALA A 30 -1.500 14.180 0.251 1.00 0.00 O ATOM 438 CB ALA A 30 1.539 14.510 -0.868 1.00 0.00 C ATOM 0 H ALA A 30 -0.489 12.555 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 30 1.526 13.416 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.892 15.428 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.387 13.965 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.841 14.757 -1.668 1.00 0.00 H new ATOM 444 N PRO A 31 -0.243 15.264 1.762 1.00 0.00 N ATOM 445 CA PRO A 31 -1.335 16.134 2.234 1.00 0.00 C ATOM 446 C PRO A 31 -2.051 16.917 1.116 1.00 0.00 C ATOM 447 O PRO A 31 -3.246 17.200 1.205 1.00 0.00 O ATOM 448 CB PRO A 31 -0.680 17.082 3.244 1.00 0.00 C ATOM 449 CG PRO A 31 0.503 16.273 3.774 1.00 0.00 C ATOM 450 CD PRO A 31 0.967 15.495 2.541 1.00 0.00 C ATOM 0 HA PRO A 31 -2.129 15.529 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.354 18.009 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.369 17.357 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.290 16.918 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.206 15.607 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.702 16.063 1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.440 14.554 2.823 1.00 0.00 H new ATOM 550 N ARG A 38 -9.588 10.826 4.057 1.00 0.00 N ATOM 551 CA ARG A 38 -10.788 9.962 3.953 1.00 0.00 C ATOM 552 C ARG A 38 -10.477 8.536 3.479 1.00 0.00 C ATOM 553 O ARG A 38 -11.238 7.620 3.793 1.00 0.00 O ATOM 554 CB ARG A 38 -11.824 10.630 3.023 1.00 0.00 C ATOM 555 CG ARG A 38 -12.328 12.001 3.506 1.00 0.00 C ATOM 556 CD ARG A 38 -13.137 11.900 4.808 1.00 0.00 C ATOM 557 NE ARG A 38 -13.615 13.229 5.241 1.00 0.00 N ATOM 558 CZ ARG A 38 -13.041 14.056 6.104 1.00 0.00 C ATOM 559 NH1 ARG A 38 -11.899 13.799 6.680 1.00 0.00 N ATOM 560 NH2 ARG A 38 -13.622 15.181 6.399 1.00 0.00 N ATOM 0 HA ARG A 38 -11.196 9.859 4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.382 10.748 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.678 9.962 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.477 12.664 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.947 12.452 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.987 11.234 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.519 11.459 5.591 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.491 13.548 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.408 12.930 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.498 14.468 7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.514 15.423 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.186 15.822 7.062 1.00 0.00 H new ATOM 574 N LEU A 39 -9.353 8.326 2.787 1.00 0.00 N ATOM 575 CA LEU A 39 -8.858 7.008 2.368 1.00 0.00 C ATOM 576 C LEU A 39 -8.052 6.276 3.460 1.00 0.00 C ATOM 577 O LEU A 39 -8.089 5.047 3.510 1.00 0.00 O ATOM 578 CB LEU A 39 -8.024 7.205 1.095 1.00 0.00 C ATOM 579 CG LEU A 39 -7.438 5.913 0.491 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.511 4.910 0.062 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.622 6.282 -0.755 1.00 0.00 C ATOM 0 H LEU A 39 -8.744 9.090 2.494 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.714 6.361 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.646 7.690 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.204 7.888 1.318 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.830 5.445 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.034 4.023 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.111 4.627 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.153 5.365 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.200 5.378 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.270 6.771 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.815 6.959 -0.474 1.00 0.00 H new ATOM 593 N ALA A 40 -7.360 6.989 4.359 1.00 0.00 N ATOM 594 CA ALA A 40 -6.591 6.368 5.446 1.00 0.00 C ATOM 595 C ALA A 40 -7.379 5.331 6.286 1.00 0.00 C ATOM 596 O ALA A 40 -6.876 4.217 6.450 1.00 0.00 O ATOM 597 CB ALA A 40 -5.962 7.463 6.320 1.00 0.00 C ATOM 0 H ALA A 40 -7.317 8.008 4.354 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.804 5.778 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.392 7.002 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.299 8.078 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.749 8.087 6.743 1.00 0.00 H new ATOM 603 N PRO A 41 -8.617 5.595 6.767 1.00 0.00 N ATOM 604 CA PRO A 41 -9.361 4.618 7.562 1.00 0.00 C ATOM 605 C PRO A 41 -9.840 3.410 6.739 1.00 0.00 C ATOM 606 O PRO A 41 -10.088 2.352 7.314 1.00 0.00 O ATOM 607 CB PRO A 41 -10.531 5.391 8.183 1.00 0.00 C ATOM 608 CG PRO A 41 -10.778 6.515 7.184 1.00 0.00 C ATOM 609 CD PRO A 41 -9.374 6.835 6.685 1.00 0.00 C ATOM 0 HA PRO A 41 -8.719 4.179 8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.411 4.760 8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.279 5.778 9.170 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.434 6.199 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.247 7.379 7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.401 7.207 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.913 7.613 7.294 1.00 0.00 H new ATOM 617 N GLU A 42 -9.935 3.525 5.408 1.00 0.00 N ATOM 618 CA GLU A 42 -10.210 2.370 4.537 1.00 0.00 C ATOM 619 C GLU A 42 -8.965 1.478 4.392 1.00 0.00 C ATOM 620 O GLU A 42 -9.053 0.251 4.439 1.00 0.00 O ATOM 621 CB GLU A 42 -10.662 2.838 3.145 1.00 0.00 C ATOM 622 CG GLU A 42 -12.064 3.461 3.125 1.00 0.00 C ATOM 623 CD GLU A 42 -13.157 2.436 3.480 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.235 1.385 2.800 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.929 2.670 4.442 1.00 0.00 O ATOM 0 H GLU A 42 -9.826 4.407 4.908 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.008 1.791 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.945 3.567 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.643 1.988 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.102 4.290 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.263 3.875 2.136 1.00 0.00 H new ATOM 632 N TYR A 43 -7.784 2.084 4.250 1.00 0.00 N ATOM 633 CA TYR A 43 -6.534 1.344 4.098 1.00 0.00 C ATOM 634 C TYR A 43 -6.060 0.698 5.423 1.00 0.00 C ATOM 635 O TYR A 43 -5.513 -0.404 5.419 1.00 0.00 O ATOM 636 CB TYR A 43 -5.500 2.307 3.503 1.00 0.00 C ATOM 637 CG TYR A 43 -4.246 1.649 2.971 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.311 0.756 1.881 1.00 0.00 C ATOM 639 CD2 TYR A 43 -3.001 1.989 3.534 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.131 0.184 1.366 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.825 1.440 3.011 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.881 0.542 1.922 1.00 0.00 C ATOM 643 OH TYR A 43 -0.723 0.066 1.395 1.00 0.00 O ATOM 0 H TYR A 43 -7.670 3.097 4.237 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.681 0.499 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.970 2.866 2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.217 3.030 4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.266 0.511 1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.954 2.673 4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.181 -0.524 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.870 1.704 3.442 1.00 0.00 H new ATOM 0 HH TYR A 43 0.031 0.590 1.736 1.00 0.00 H new ATOM 653 N GLU A 44 -6.348 1.318 6.577 1.00 0.00 N ATOM 654 CA GLU A 44 -6.159 0.731 7.919 1.00 0.00 C ATOM 655 C GLU A 44 -7.050 -0.488 8.136 1.00 0.00 C ATOM 656 O GLU A 44 -6.615 -1.506 8.679 1.00 0.00 O ATOM 657 CB GLU A 44 -6.500 1.764 8.995 1.00 0.00 C ATOM 658 CG GLU A 44 -5.543 2.951 8.988 1.00 0.00 C ATOM 659 CD GLU A 44 -4.402 2.829 10.012 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.722 1.773 10.079 1.00 0.00 O ATOM 661 OE2 GLU A 44 -4.181 3.805 10.769 1.00 0.00 O ATOM 0 H GLU A 44 -6.728 2.264 6.608 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.115 0.426 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.518 2.121 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.474 1.286 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.115 3.056 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.106 3.862 9.191 1.00 0.00 H new ATOM 668 N ALA A 45 -8.295 -0.394 7.674 1.00 0.00 N ATOM 669 CA ALA A 45 -9.230 -1.516 7.672 1.00 0.00 C ATOM 670 C ALA A 45 -8.731 -2.663 6.775 1.00 0.00 C ATOM 671 O ALA A 45 -8.732 -3.813 7.211 1.00 0.00 O ATOM 672 CB ALA A 45 -10.634 -1.033 7.294 1.00 0.00 C ATOM 0 H ALA A 45 -8.685 0.466 7.289 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.288 -1.928 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.322 -1.878 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.970 -0.290 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.610 -0.587 6.300 1.00 0.00 H new ATOM 678 N ALA A 46 -8.212 -2.376 5.574 1.00 0.00 N ATOM 679 CA ALA A 46 -7.574 -3.374 4.710 1.00 0.00 C ATOM 680 C ALA A 46 -6.365 -4.051 5.385 1.00 0.00 C ATOM 681 O ALA A 46 -6.261 -5.275 5.357 1.00 0.00 O ATOM 682 CB ALA A 46 -7.131 -2.713 3.401 1.00 0.00 C ATOM 0 H ALA A 46 -8.224 -1.438 5.173 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.312 -4.151 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.657 -3.456 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.000 -2.296 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.420 -1.915 3.618 1.00 0.00 H new ATOM 688 N ALA A 47 -5.489 -3.280 6.032 1.00 0.00 N ATOM 689 CA ALA A 47 -4.336 -3.818 6.760 1.00 0.00 C ATOM 690 C ALA A 47 -4.774 -4.738 7.912 1.00 0.00 C ATOM 691 O ALA A 47 -4.267 -5.848 8.046 1.00 0.00 O ATOM 692 CB ALA A 47 -3.471 -2.652 7.248 1.00 0.00 C ATOM 0 H ALA A 47 -5.558 -2.263 6.067 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.742 -4.440 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.610 -3.040 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.128 -2.070 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.059 -2.014 7.908 1.00 0.00 H new ATOM 698 N THR A 48 -5.793 -4.325 8.671 1.00 0.00 N ATOM 699 CA THR A 48 -6.434 -5.136 9.722 1.00 0.00 C ATOM 700 C THR A 48 -7.035 -6.443 9.169 1.00 0.00 C ATOM 701 O THR A 48 -6.852 -7.506 9.768 1.00 0.00 O ATOM 702 CB THR A 48 -7.512 -4.316 10.451 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.986 -3.089 10.925 1.00 0.00 O ATOM 704 CG2 THR A 48 -8.085 -5.045 11.670 1.00 0.00 C ATOM 0 H THR A 48 -6.208 -3.398 8.573 1.00 0.00 H new ATOM 0 HA THR A 48 -5.655 -5.415 10.432 1.00 0.00 H new ATOM 0 HB THR A 48 -8.297 -4.155 9.712 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.892 -2.463 10.177 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.841 -4.420 12.146 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.538 -5.984 11.353 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.284 -5.250 12.381 1.00 0.00 H new ATOM 712 N ARG A 49 -7.730 -6.393 8.019 1.00 0.00 N ATOM 713 CA ARG A 49 -8.347 -7.571 7.365 1.00 0.00 C ATOM 714 C ARG A 49 -7.331 -8.535 6.732 1.00 0.00 C ATOM 715 O ARG A 49 -7.621 -9.725 6.620 1.00 0.00 O ATOM 716 CB ARG A 49 -9.376 -7.117 6.308 1.00 0.00 C ATOM 717 CG ARG A 49 -10.819 -7.050 6.842 1.00 0.00 C ATOM 718 CD ARG A 49 -11.038 -5.989 7.932 1.00 0.00 C ATOM 719 NE ARG A 49 -12.406 -6.057 8.481 1.00 0.00 N ATOM 720 CZ ARG A 49 -12.904 -5.292 9.439 1.00 0.00 C ATOM 721 NH1 ARG A 49 -12.208 -4.350 10.011 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.130 -5.459 9.850 1.00 0.00 N ATOM 0 H ARG A 49 -7.884 -5.524 7.507 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.844 -8.130 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.090 -6.134 5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.342 -7.803 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.493 -6.845 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.093 -8.027 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.315 -6.134 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.859 -4.997 7.518 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.028 -6.761 8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.244 -4.182 9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.627 -3.781 10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.714 -6.184 9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.506 -4.865 10.589 1.00 0.00 H new ATOM 736 N LEU A 50 -6.144 -8.043 6.367 1.00 0.00 N ATOM 737 CA LEU A 50 -5.074 -8.797 5.700 1.00 0.00 C ATOM 738 C LEU A 50 -3.825 -8.961 6.595 1.00 0.00 C ATOM 739 O LEU A 50 -2.736 -9.255 6.098 1.00 0.00 O ATOM 740 CB LEU A 50 -4.739 -8.119 4.349 1.00 0.00 C ATOM 741 CG LEU A 50 -5.913 -7.978 3.361 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.422 -7.330 2.066 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.554 -9.318 3.004 1.00 0.00 C ATOM 0 H LEU A 50 -5.890 -7.069 6.534 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.429 -9.809 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.338 -7.126 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.947 -8.690 3.864 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.663 -7.362 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.255 -7.232 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.014 -6.343 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.647 -7.952 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.374 -9.154 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.809 -9.967 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.937 -9.791 3.909 1.00 0.00 H new ATOM 755 N LYS A 51 -3.962 -8.777 7.915 1.00 0.00 N ATOM 756 CA LYS A 51 -2.873 -8.847 8.907 1.00 0.00 C ATOM 757 C LYS A 51 -2.185 -10.222 8.898 1.00 0.00 C ATOM 758 O LYS A 51 -2.795 -11.240 9.227 1.00 0.00 O ATOM 759 CB LYS A 51 -3.432 -8.473 10.296 1.00 0.00 C ATOM 760 CG LYS A 51 -2.316 -8.317 11.344 1.00 0.00 C ATOM 761 CD LYS A 51 -2.890 -7.833 12.685 1.00 0.00 C ATOM 762 CE LYS A 51 -1.788 -7.532 13.712 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.092 -8.760 14.185 1.00 0.00 N ATOM 0 H LYS A 51 -4.865 -8.568 8.340 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.097 -8.129 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.993 -7.541 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.132 -9.241 10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.807 -9.271 11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.571 -7.607 10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.486 -6.935 12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.561 -8.592 13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.059 -6.854 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.225 -7.015 14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.359 -8.500 14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.780 -9.398 14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.650 -9.242 13.376 1.00 0.00 H new ATOM 777 N GLY A 52 -0.917 -10.252 8.479 1.00 0.00 N ATOM 778 CA GLY A 52 -0.128 -11.483 8.290 1.00 0.00 C ATOM 779 C GLY A 52 -0.379 -12.221 6.962 1.00 0.00 C ATOM 780 O GLY A 52 0.232 -13.263 6.717 1.00 0.00 O ATOM 0 H GLY A 52 -0.394 -9.405 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.931 -11.231 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.344 -12.164 9.113 1.00 0.00 H new ATOM 784 N ILE A 53 -1.253 -11.682 6.106 1.00 0.00 N ATOM 785 CA ILE A 53 -1.624 -12.224 4.787 1.00 0.00 C ATOM 786 C ILE A 53 -1.008 -11.366 3.669 1.00 0.00 C ATOM 787 O ILE A 53 -0.466 -11.907 2.705 1.00 0.00 O ATOM 788 CB ILE A 53 -3.170 -12.310 4.636 1.00 0.00 C ATOM 789 CG1 ILE A 53 -3.827 -13.039 5.834 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.542 -13.002 3.312 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.356 -13.116 5.787 1.00 0.00 C ATOM 0 H ILE A 53 -1.746 -10.815 6.320 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.227 -13.236 4.704 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.556 -11.291 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.429 -14.052 5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.532 -12.533 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.627 -13.054 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.135 -12.432 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.128 -14.010 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.721 -13.644 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.771 -12.108 5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.666 -13.651 4.889 1.00 0.00 H new ATOM 803 N VAL A 54 -1.002 -10.037 3.841 1.00 0.00 N ATOM 804 CA VAL A 54 -0.283 -9.067 2.993 1.00 0.00 C ATOM 805 C VAL A 54 0.245 -7.905 3.861 1.00 0.00 C ATOM 806 O VAL A 54 -0.557 -7.275 4.559 1.00 0.00 O ATOM 807 CB VAL A 54 -1.181 -8.478 1.880 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.340 -7.674 0.876 1.00 0.00 C ATOM 809 CG2 VAL A 54 -1.941 -9.531 1.064 1.00 0.00 C ATOM 0 H VAL A 54 -1.515 -9.589 4.600 1.00 0.00 H new ATOM 0 HA VAL A 54 0.538 -9.606 2.521 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.902 -7.857 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.989 -7.268 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.162 -6.857 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.405 -8.327 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.547 -9.036 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.229 -10.200 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.588 -10.107 1.726 1.00 0.00 H new ATOM 819 N PRO A 55 1.554 -7.579 3.836 1.00 0.00 N ATOM 820 CA PRO A 55 2.067 -6.371 4.480 1.00 0.00 C ATOM 821 C PRO A 55 1.599 -5.118 3.720 1.00 0.00 C ATOM 822 O PRO A 55 1.807 -5.005 2.505 1.00 0.00 O ATOM 823 CB PRO A 55 3.591 -6.527 4.497 1.00 0.00 C ATOM 824 CG PRO A 55 3.880 -7.430 3.301 1.00 0.00 C ATOM 825 CD PRO A 55 2.636 -8.314 3.203 1.00 0.00 C ATOM 0 HA PRO A 55 1.693 -6.246 5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.092 -5.564 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.937 -6.975 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.032 -6.851 2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.781 -8.023 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.398 -8.534 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.799 -9.269 3.702 1.00 0.00 H new ATOM 833 N LEU A 56 0.983 -4.177 4.445 1.00 0.00 N ATOM 834 CA LEU A 56 0.472 -2.899 3.925 1.00 0.00 C ATOM 835 C LEU A 56 1.215 -1.724 4.567 1.00 0.00 C ATOM 836 O LEU A 56 1.430 -1.688 5.783 1.00 0.00 O ATOM 837 CB LEU A 56 -1.047 -2.781 4.177 1.00 0.00 C ATOM 838 CG LEU A 56 -1.910 -3.159 2.961 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.854 -4.648 2.618 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.373 -2.822 3.236 1.00 0.00 C ATOM 0 H LEU A 56 0.820 -4.286 5.446 1.00 0.00 H new ATOM 0 HA LEU A 56 0.646 -2.870 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.317 -3.422 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.279 -1.757 4.471 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.505 -2.590 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.485 -4.846 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.826 -4.931 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.211 -5.231 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.978 -3.093 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.717 -3.379 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.471 -1.753 3.427 1.00 0.00 H new ATOM 852 N ALA A 57 1.578 -0.740 3.745 1.00 0.00 N ATOM 853 CA ALA A 57 2.410 0.402 4.120 1.00 0.00 C ATOM 854 C ALA A 57 1.969 1.694 3.426 1.00 0.00 C ATOM 855 O ALA A 57 1.290 1.642 2.399 1.00 0.00 O ATOM 856 CB ALA A 57 3.863 0.070 3.748 1.00 0.00 C ATOM 0 H ALA A 57 1.291 -0.715 2.767 1.00 0.00 H new ATOM 0 HA ALA A 57 2.310 0.575 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.508 0.907 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.182 -0.822 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.932 -0.110 2.675 1.00 0.00 H new ATOM 862 N LYS A 58 2.407 2.846 3.929 1.00 0.00 N ATOM 863 CA LYS A 58 2.259 4.151 3.270 1.00 0.00 C ATOM 864 C LYS A 58 3.516 5.011 3.376 1.00 0.00 C ATOM 865 O LYS A 58 4.384 4.770 4.220 1.00 0.00 O ATOM 866 CB LYS A 58 0.975 4.864 3.749 1.00 0.00 C ATOM 867 CG LYS A 58 0.906 5.313 5.217 1.00 0.00 C ATOM 868 CD LYS A 58 1.768 6.535 5.568 1.00 0.00 C ATOM 869 CE LYS A 58 1.206 7.233 6.814 1.00 0.00 C ATOM 870 NZ LYS A 58 2.099 8.318 7.296 1.00 0.00 N ATOM 0 H LYS A 58 2.887 2.904 4.827 1.00 0.00 H new ATOM 0 HA LYS A 58 2.139 3.974 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.828 5.744 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.133 4.197 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.132 5.538 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.211 4.480 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.797 6.225 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.787 7.230 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.224 7.647 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.066 6.499 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.539 9.025 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.821 7.918 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.563 8.772 6.484 1.00 0.00 H new ATOM 884 N VAL A 59 3.606 6.006 2.492 1.00 0.00 N ATOM 885 CA VAL A 59 4.757 6.912 2.321 1.00 0.00 C ATOM 886 C VAL A 59 4.245 8.315 1.966 1.00 0.00 C ATOM 887 O VAL A 59 3.465 8.474 1.023 1.00 0.00 O ATOM 888 CB VAL A 59 5.695 6.400 1.204 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.896 7.336 0.992 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.249 4.991 1.472 1.00 0.00 C ATOM 0 H VAL A 59 2.847 6.217 1.844 1.00 0.00 H new ATOM 0 HA VAL A 59 5.321 6.947 3.253 1.00 0.00 H new ATOM 0 HB VAL A 59 5.067 6.372 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.530 6.940 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.540 8.327 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.471 7.405 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.899 4.693 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.818 4.995 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.423 4.285 1.555 1.00 0.00 H new ATOM 900 N ASP A 60 4.688 9.332 2.712 1.00 0.00 N ATOM 901 CA ASP A 60 4.309 10.741 2.522 1.00 0.00 C ATOM 902 C ASP A 60 5.228 11.435 1.502 1.00 0.00 C ATOM 903 O ASP A 60 6.349 11.822 1.835 1.00 0.00 O ATOM 904 CB ASP A 60 4.341 11.486 3.865 1.00 0.00 C ATOM 905 CG ASP A 60 3.147 11.138 4.768 1.00 0.00 C ATOM 906 OD1 ASP A 60 3.186 10.086 5.454 1.00 0.00 O ATOM 907 OD2 ASP A 60 2.181 11.937 4.818 1.00 0.00 O ATOM 0 H ASP A 60 5.338 9.197 3.486 1.00 0.00 H new ATOM 0 HA ASP A 60 3.293 10.766 2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.267 11.245 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.349 12.560 3.679 1.00 0.00 H new ATOM 912 N CYS A 61 4.794 11.599 0.253 1.00 0.00 N ATOM 913 CA CYS A 61 5.582 12.152 -0.855 1.00 0.00 C ATOM 914 C CYS A 61 5.950 13.642 -0.720 1.00 0.00 C ATOM 915 O CYS A 61 6.944 14.070 -1.303 1.00 0.00 O ATOM 916 CB CYS A 61 4.828 11.908 -2.163 1.00 0.00 C ATOM 917 SG CYS A 61 4.512 10.163 -2.522 1.00 0.00 S ATOM 0 H CYS A 61 3.848 11.341 -0.029 1.00 0.00 H new ATOM 0 HA CYS A 61 6.539 11.631 -0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.876 12.438 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.400 12.339 -2.985 1.00 0.00 H new ATOM 922 N THR A 62 5.225 14.436 0.080 1.00 0.00 N ATOM 923 CA THR A 62 5.670 15.809 0.436 1.00 0.00 C ATOM 924 C THR A 62 6.946 15.802 1.293 1.00 0.00 C ATOM 925 O THR A 62 7.677 16.791 1.354 1.00 0.00 O ATOM 926 CB THR A 62 4.557 16.599 1.153 1.00 0.00 C ATOM 927 OG1 THR A 62 4.849 17.981 1.162 1.00 0.00 O ATOM 928 CG2 THR A 62 4.307 16.163 2.600 1.00 0.00 C ATOM 0 H THR A 62 4.334 14.163 0.495 1.00 0.00 H new ATOM 0 HA THR A 62 5.900 16.309 -0.505 1.00 0.00 H new ATOM 0 HB THR A 62 3.655 16.385 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.130 18.464 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.510 16.769 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.015 15.113 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.218 16.296 3.183 1.00 0.00 H new ATOM 936 N ALA A 63 7.199 14.667 1.955 1.00 0.00 N ATOM 937 CA ALA A 63 8.279 14.444 2.920 1.00 0.00 C ATOM 938 C ALA A 63 9.285 13.352 2.465 1.00 0.00 C ATOM 939 O ALA A 63 10.322 13.157 3.108 1.00 0.00 O ATOM 940 CB ALA A 63 7.582 14.114 4.245 1.00 0.00 C ATOM 0 H ALA A 63 6.624 13.835 1.824 1.00 0.00 H new ATOM 0 HA ALA A 63 8.907 15.329 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.332 13.935 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.950 14.951 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.968 13.222 4.121 1.00 0.00 H new ATOM 946 N ASN A 64 9.002 12.673 1.340 1.00 0.00 N ATOM 947 CA ASN A 64 9.778 11.575 0.745 1.00 0.00 C ATOM 948 C ASN A 64 9.693 11.587 -0.795 1.00 0.00 C ATOM 949 O ASN A 64 9.392 10.602 -1.474 1.00 0.00 O ATOM 950 CB ASN A 64 9.290 10.233 1.245 1.00 0.00 C ATOM 951 CG ASN A 64 9.362 10.030 2.743 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.343 9.531 3.276 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.310 10.376 3.454 1.00 0.00 N ATOM 0 H ASN A 64 8.172 12.891 0.788 1.00 0.00 H new ATOM 0 HA ASN A 64 10.814 11.727 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.256 10.101 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.874 9.450 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.306 10.229 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.499 10.791 2.996 1.00 0.00 H new ATOM 960 N THR A 65 9.904 12.766 -1.338 1.00 0.00 N ATOM 961 CA THR A 65 9.675 13.109 -2.754 1.00 0.00 C ATOM 962 C THR A 65 10.575 12.300 -3.688 1.00 0.00 C ATOM 963 O THR A 65 10.107 11.818 -4.719 1.00 0.00 O ATOM 964 CB THR A 65 9.865 14.622 -2.995 1.00 0.00 C ATOM 965 OG1 THR A 65 9.245 15.373 -1.969 1.00 0.00 O ATOM 966 CG2 THR A 65 9.266 15.083 -4.322 1.00 0.00 C ATOM 0 H THR A 65 10.254 13.555 -0.795 1.00 0.00 H new ATOM 0 HA THR A 65 8.642 12.849 -2.984 1.00 0.00 H new ATOM 0 HB THR A 65 10.942 14.788 -3.009 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.410 14.935 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.427 16.154 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.746 14.550 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.196 14.874 -4.330 1.00 0.00 H new ATOM 974 N ASN A 66 11.829 12.064 -3.289 1.00 0.00 N ATOM 975 CA ASN A 66 12.785 11.228 -4.017 1.00 0.00 C ATOM 976 C ASN A 66 12.383 9.744 -4.006 1.00 0.00 C ATOM 977 O ASN A 66 12.501 9.077 -5.035 1.00 0.00 O ATOM 978 CB ASN A 66 14.182 11.431 -3.400 1.00 0.00 C ATOM 979 CG ASN A 66 14.751 12.817 -3.639 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.715 13.360 -4.737 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.287 13.449 -2.620 1.00 0.00 N ATOM 0 H ASN A 66 12.215 12.459 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 66 12.794 11.531 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.127 11.249 -2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.865 10.690 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.670 14.386 -2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.320 13.003 -1.703 1.00 0.00 H new ATOM 988 N THR A 67 11.847 9.245 -2.886 1.00 0.00 N ATOM 989 CA THR A 67 11.267 7.892 -2.793 1.00 0.00 C ATOM 990 C THR A 67 10.083 7.746 -3.754 1.00 0.00 C ATOM 991 O THR A 67 10.011 6.760 -4.474 1.00 0.00 O ATOM 992 CB THR A 67 10.808 7.549 -1.365 1.00 0.00 C ATOM 993 OG1 THR A 67 11.834 7.854 -0.435 1.00 0.00 O ATOM 994 CG2 THR A 67 10.482 6.066 -1.188 1.00 0.00 C ATOM 0 H THR A 67 11.801 9.768 -2.012 1.00 0.00 H new ATOM 0 HA THR A 67 12.057 7.194 -3.070 1.00 0.00 H new ATOM 0 HB THR A 67 9.909 8.140 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.531 7.634 0.470 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.164 5.883 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.681 5.786 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.369 5.470 -1.405 1.00 0.00 H new ATOM 1002 N CYS A 68 9.200 8.747 -3.828 1.00 0.00 N ATOM 1003 CA CYS A 68 8.022 8.702 -4.699 1.00 0.00 C ATOM 1004 C CYS A 68 8.342 8.921 -6.196 1.00 0.00 C ATOM 1005 O CYS A 68 7.726 8.293 -7.063 1.00 0.00 O ATOM 1006 CB CYS A 68 7.018 9.733 -4.181 1.00 0.00 C ATOM 1007 SG CYS A 68 6.366 9.324 -2.543 1.00 0.00 S ATOM 0 H CYS A 68 9.281 9.608 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 68 7.602 7.697 -4.657 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.498 10.711 -4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.190 9.812 -4.886 1.00 0.00 H new ATOM 1012 N ASN A 69 9.327 9.768 -6.524 1.00 0.00 N ATOM 1013 CA ASN A 69 9.764 10.016 -7.914 1.00 0.00 C ATOM 1014 C ASN A 69 10.517 8.821 -8.531 1.00 0.00 C ATOM 1015 O ASN A 69 10.568 8.699 -9.757 1.00 0.00 O ATOM 1016 CB ASN A 69 10.572 11.326 -8.004 1.00 0.00 C ATOM 1017 CG ASN A 69 9.656 12.531 -8.136 1.00 0.00 C ATOM 1018 OD1 ASN A 69 9.655 13.240 -9.133 1.00 0.00 O ATOM 1019 ND2 ASN A 69 8.817 12.769 -7.155 1.00 0.00 N ATOM 0 H ASN A 69 9.849 10.306 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 69 8.865 10.133 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.193 11.434 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.245 11.283 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.161 13.547 -7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.821 12.176 -6.325 1.00 0.00 H new ATOM 1026 N LYS A 70 11.030 7.899 -7.701 1.00 0.00 N ATOM 1027 CA LYS A 70 11.560 6.594 -8.136 1.00 0.00 C ATOM 1028 C LYS A 70 10.484 5.717 -8.809 1.00 0.00 C ATOM 1029 O LYS A 70 10.819 4.826 -9.590 1.00 0.00 O ATOM 1030 CB LYS A 70 12.176 5.892 -6.913 1.00 0.00 C ATOM 1031 CG LYS A 70 12.988 4.645 -7.287 1.00 0.00 C ATOM 1032 CD LYS A 70 13.761 4.110 -6.074 1.00 0.00 C ATOM 1033 CE LYS A 70 14.562 2.868 -6.466 1.00 0.00 C ATOM 1034 NZ LYS A 70 15.379 2.363 -5.330 1.00 0.00 N ATOM 0 H LYS A 70 11.090 8.040 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 70 12.324 6.756 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.821 6.594 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.380 5.608 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.320 3.872 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.685 4.887 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.432 4.880 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.067 3.866 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.881 2.086 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.214 3.105 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.909 1.520 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.046 3.101 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.754 2.114 -4.537 1.00 0.00 H new ATOM 1048 N TYR A 71 9.204 5.985 -8.523 1.00 0.00 N ATOM 1049 CA TYR A 71 8.073 5.114 -8.905 1.00 0.00 C ATOM 1050 C TYR A 71 7.000 5.780 -9.777 1.00 0.00 C ATOM 1051 O TYR A 71 6.310 5.084 -10.530 1.00 0.00 O ATOM 1052 CB TYR A 71 7.431 4.573 -7.627 1.00 0.00 C ATOM 1053 CG TYR A 71 8.384 3.772 -6.762 1.00 0.00 C ATOM 1054 CD1 TYR A 71 9.052 2.644 -7.282 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.646 4.187 -5.448 1.00 0.00 C ATOM 1056 CE1 TYR A 71 9.995 1.953 -6.492 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.574 3.493 -4.647 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.250 2.372 -5.170 1.00 0.00 C ATOM 1059 OH TYR A 71 11.168 1.709 -4.411 1.00 0.00 O ATOM 0 H TYR A 71 8.916 6.821 -8.014 1.00 0.00 H new ATOM 0 HA TYR A 71 8.491 4.322 -9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.040 5.408 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.581 3.945 -7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.841 2.309 -8.287 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.131 5.047 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.522 1.103 -6.900 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.767 3.819 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 71 10.756 1.433 -3.566 1.00 0.00 H new ATOM 1069 N GLY A 72 6.849 7.107 -9.703 1.00 0.00 N ATOM 1070 CA GLY A 72 6.000 7.883 -10.620 1.00 0.00 C ATOM 1071 C GLY A 72 4.672 8.326 -10.007 1.00 0.00 C ATOM 1072 O GLY A 72 3.655 8.371 -10.699 1.00 0.00 O ATOM 0 H GLY A 72 7.316 7.679 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.549 8.765 -10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.798 7.283 -11.507 1.00 0.00 H new ATOM 1076 N VAL A 73 4.669 8.640 -8.705 1.00 0.00 N ATOM 1077 CA VAL A 73 3.535 9.215 -7.940 1.00 0.00 C ATOM 1078 C VAL A 73 3.231 10.681 -8.359 1.00 0.00 C ATOM 1079 O VAL A 73 3.161 11.600 -7.546 1.00 0.00 O ATOM 1080 CB VAL A 73 3.774 9.098 -6.414 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.479 9.287 -5.603 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.362 7.741 -6.001 1.00 0.00 C ATOM 0 H VAL A 73 5.493 8.496 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 73 2.650 8.628 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 73 4.485 9.894 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.699 9.196 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.064 10.275 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.755 8.524 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.507 7.721 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.677 6.944 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.321 7.593 -6.498 1.00 0.00 H new ATOM 1092 N SER A 74 3.079 10.924 -9.662 1.00 0.00 N ATOM 1093 CA SER A 74 2.764 12.235 -10.270 1.00 0.00 C ATOM 1094 C SER A 74 1.315 12.719 -10.057 1.00 0.00 C ATOM 1095 O SER A 74 0.962 13.818 -10.495 1.00 0.00 O ATOM 1096 CB SER A 74 3.060 12.174 -11.774 1.00 0.00 C ATOM 1097 OG SER A 74 4.408 11.794 -12.019 1.00 0.00 O ATOM 0 H SER A 74 3.175 10.186 -10.360 1.00 0.00 H new ATOM 0 HA SER A 74 3.396 12.961 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.387 11.462 -12.251 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.866 13.147 -12.225 1.00 0.00 H new ATOM 0 HG SER A 74 4.568 11.762 -12.985 1.00 0.00 H new ATOM 1103 N GLY A 75 0.467 11.917 -9.399 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.976 12.161 -9.237 1.00 0.00 C ATOM 1105 C GLY A 75 -1.593 11.358 -8.081 1.00 0.00 C ATOM 1106 O GLY A 75 -2.505 10.558 -8.298 1.00 0.00 O ATOM 0 H GLY A 75 0.774 11.054 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.142 13.224 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.489 11.906 -10.164 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.050 11.531 -6.868 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.496 10.860 -5.634 1.00 0.00 C ATOM 1112 C TYR A 76 -3.005 11.018 -5.305 1.00 0.00 C ATOM 1113 O TYR A 76 -3.626 11.996 -5.744 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.614 11.296 -4.439 1.00 0.00 C ATOM 1115 CG TYR A 76 0.071 12.657 -4.488 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.672 13.829 -4.736 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.463 12.743 -4.271 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.032 15.087 -4.765 1.00 0.00 C ATOM 1119 CE2 TYR A 76 2.109 13.994 -4.306 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.361 15.171 -4.542 1.00 0.00 C ATOM 1121 OH TYR A 76 1.971 16.388 -4.561 1.00 0.00 O ATOM 0 H TYR A 76 -0.263 12.161 -6.711 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.369 9.794 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.236 11.272 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.161 10.541 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.737 13.764 -4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.034 11.847 -4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.605 15.982 -4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.176 14.055 -4.153 1.00 0.00 H new ATOM 0 HH TYR A 76 2.929 16.276 -4.390 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.588 10.116 -4.479 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.968 8.905 -3.922 1.00 0.00 C ATOM 1133 C PRO A 77 -2.763 7.806 -4.983 1.00 0.00 C ATOM 1134 O PRO A 77 -3.543 7.676 -5.930 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.914 8.430 -2.816 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.286 8.906 -3.290 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.973 10.214 -4.024 1.00 0.00 C ATOM 0 HA PRO A 77 -1.970 9.125 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.883 7.347 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.651 8.862 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.758 8.178 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.967 9.067 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.649 10.356 -4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.104 11.070 -3.363 1.00 0.00 H new ATOM 1145 N THR A 78 -1.712 7.002 -4.808 1.00 0.00 N ATOM 1146 CA THR A 78 -1.281 5.964 -5.760 1.00 0.00 C ATOM 1147 C THR A 78 -0.869 4.699 -5.009 1.00 0.00 C ATOM 1148 O THR A 78 0.144 4.690 -4.303 1.00 0.00 O ATOM 1149 CB THR A 78 -0.099 6.460 -6.619 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.385 7.704 -7.226 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.256 5.502 -7.751 1.00 0.00 C ATOM 0 H THR A 78 -1.119 7.053 -3.980 1.00 0.00 H new ATOM 0 HA THR A 78 -2.121 5.740 -6.417 1.00 0.00 H new ATOM 0 HB THR A 78 0.735 6.539 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.384 7.991 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.094 5.905 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.532 4.533 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.604 5.382 -8.409 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.650 3.622 -5.155 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.306 2.309 -4.603 1.00 0.00 C ATOM 1161 C LEU A 79 -0.431 1.514 -5.595 1.00 0.00 C ATOM 1162 O LEU A 79 -0.735 1.448 -6.790 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.568 1.521 -4.221 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.300 2.040 -2.965 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.362 3.088 -3.322 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -4.013 0.882 -2.265 1.00 0.00 C ATOM 0 H LEU A 79 -2.537 3.637 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.728 2.465 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.261 1.542 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.293 0.479 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.548 2.491 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.856 3.430 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.886 3.935 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.100 2.645 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.528 1.254 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.738 0.436 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.282 0.129 -1.970 1.00 0.00 H new ATOM 1178 N LYS A 80 0.627 0.869 -5.088 1.00 0.00 N ATOM 1179 CA LYS A 80 1.600 0.076 -5.863 1.00 0.00 C ATOM 1180 C LYS A 80 1.946 -1.249 -5.181 1.00 0.00 C ATOM 1181 O LYS A 80 1.841 -1.389 -3.966 1.00 0.00 O ATOM 1182 CB LYS A 80 2.865 0.920 -6.121 1.00 0.00 C ATOM 1183 CG LYS A 80 2.659 1.910 -7.277 1.00 0.00 C ATOM 1184 CD LYS A 80 3.921 2.745 -7.537 1.00 0.00 C ATOM 1185 CE LYS A 80 3.874 3.397 -8.925 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.280 2.450 -9.992 1.00 0.00 N ATOM 0 H LYS A 80 0.840 0.883 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 80 1.141 -0.183 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.129 1.467 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.702 0.261 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.391 1.364 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.825 2.572 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.015 3.516 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.804 2.110 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.865 3.757 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.532 4.266 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.171 2.906 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.274 2.178 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.680 1.602 -9.950 1.00 0.00 H new ATOM 1200 N ILE A 81 2.370 -2.212 -6.002 1.00 0.00 N ATOM 1201 CA ILE A 81 2.563 -3.620 -5.653 1.00 0.00 C ATOM 1202 C ILE A 81 4.002 -4.023 -5.955 1.00 0.00 C ATOM 1203 O ILE A 81 4.542 -3.694 -7.013 1.00 0.00 O ATOM 1204 CB ILE A 81 1.569 -4.495 -6.454 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.122 -4.212 -6.010 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.877 -5.994 -6.299 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.923 -4.736 -7.002 1.00 0.00 C ATOM 0 H ILE A 81 2.599 -2.021 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 81 2.374 -3.768 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 81 1.682 -4.233 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.049 -4.669 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.010 -3.137 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.157 -6.575 -6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.884 -6.198 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.808 -6.273 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.922 -4.506 -6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.776 -4.260 -7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.815 -5.815 -7.108 1.00 0.00 H new ATOM 1219 N PHE A 82 4.598 -4.770 -5.029 1.00 0.00 N ATOM 1220 CA PHE A 82 6.002 -5.190 -5.081 1.00 0.00 C ATOM 1221 C PHE A 82 6.128 -6.696 -4.830 1.00 0.00 C ATOM 1222 O PHE A 82 6.252 -7.151 -3.692 1.00 0.00 O ATOM 1223 CB PHE A 82 6.856 -4.390 -4.091 1.00 0.00 C ATOM 1224 CG PHE A 82 6.985 -2.915 -4.423 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.918 -2.021 -4.202 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.174 -2.441 -5.000 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.034 -0.672 -4.584 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.301 -1.087 -5.356 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.229 -0.199 -5.153 1.00 0.00 C ATOM 0 H PHE A 82 4.109 -5.110 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 82 6.379 -4.983 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.425 -4.489 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.853 -4.830 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.008 -2.373 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.996 -3.121 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.203 0.002 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.224 -0.728 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.324 0.840 -5.433 1.00 0.00 H new ATOM 1239 N ARG A 83 6.044 -7.472 -5.910 1.00 0.00 N ATOM 1240 CA ARG A 83 6.185 -8.941 -5.896 1.00 0.00 C ATOM 1241 C ARG A 83 7.611 -9.341 -5.500 1.00 0.00 C ATOM 1242 O ARG A 83 8.581 -8.902 -6.126 1.00 0.00 O ATOM 1243 CB ARG A 83 5.787 -9.512 -7.266 1.00 0.00 C ATOM 1244 CG ARG A 83 5.773 -11.054 -7.277 1.00 0.00 C ATOM 1245 CD ARG A 83 5.283 -11.609 -8.618 1.00 0.00 C ATOM 1246 NE ARG A 83 6.227 -11.316 -9.718 1.00 0.00 N ATOM 1247 CZ ARG A 83 5.973 -10.693 -10.859 1.00 0.00 C ATOM 1248 NH1 ARG A 83 4.786 -10.248 -11.176 1.00 0.00 N ATOM 1249 NH2 ARG A 83 6.927 -10.501 -11.722 1.00 0.00 N ATOM 0 H ARG A 83 5.873 -7.096 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 83 5.515 -9.364 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.799 -9.140 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.484 -9.152 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.776 -11.428 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.129 -11.417 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.146 -12.687 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.309 -11.181 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 83 7.188 -11.631 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.005 -10.375 -10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.640 -9.774 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.871 -10.830 -11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.731 -10.021 -12.601 1.00 0.00 H new ATOM 1263 N ASP A 84 7.731 -10.147 -4.443 1.00 0.00 N ATOM 1264 CA ASP A 84 9.003 -10.544 -3.819 1.00 0.00 C ATOM 1265 C ASP A 84 9.972 -9.365 -3.534 1.00 0.00 C ATOM 1266 O ASP A 84 11.197 -9.520 -3.553 1.00 0.00 O ATOM 1267 CB ASP A 84 9.629 -11.689 -4.640 1.00 0.00 C ATOM 1268 CG ASP A 84 10.754 -12.437 -3.901 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.547 -12.856 -2.733 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.824 -12.685 -4.516 1.00 0.00 O ATOM 0 H ASP A 84 6.920 -10.557 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 84 8.788 -10.915 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.848 -12.400 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.025 -11.283 -5.571 1.00 0.00 H new ATOM 1275 N GLY A 85 9.426 -8.160 -3.300 1.00 0.00 N ATOM 1276 CA GLY A 85 10.186 -6.956 -2.932 1.00 0.00 C ATOM 1277 C GLY A 85 10.652 -6.085 -4.108 1.00 0.00 C ATOM 1278 O GLY A 85 11.562 -5.273 -3.948 1.00 0.00 O ATOM 0 H GLY A 85 8.422 -7.993 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.570 -6.346 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.061 -7.261 -2.359 1.00 0.00 H new ATOM 1282 N GLU A 86 10.044 -6.236 -5.287 1.00 0.00 N ATOM 1283 CA GLU A 86 10.389 -5.510 -6.520 1.00 0.00 C ATOM 1284 C GLU A 86 9.110 -5.141 -7.286 1.00 0.00 C ATOM 1285 O GLU A 86 8.170 -5.932 -7.339 1.00 0.00 O ATOM 1286 CB GLU A 86 11.291 -6.373 -7.425 1.00 0.00 C ATOM 1287 CG GLU A 86 12.678 -6.643 -6.825 1.00 0.00 C ATOM 1288 CD GLU A 86 13.573 -7.374 -7.841 1.00 0.00 C ATOM 1289 OE1 GLU A 86 14.230 -6.699 -8.675 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.644 -8.629 -7.810 1.00 0.00 O ATOM 0 H GLU A 86 9.271 -6.888 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 86 10.927 -4.603 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.795 -7.324 -7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.410 -5.875 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.144 -5.702 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.579 -7.244 -5.921 1.00 0.00 H new ATOM 1297 N GLU A 87 9.055 -3.933 -7.854 1.00 0.00 N ATOM 1298 CA GLU A 87 7.838 -3.356 -8.456 1.00 0.00 C ATOM 1299 C GLU A 87 7.194 -4.287 -9.505 1.00 0.00 C ATOM 1300 O GLU A 87 7.753 -4.513 -10.586 1.00 0.00 O ATOM 1301 CB GLU A 87 8.167 -1.976 -9.054 1.00 0.00 C ATOM 1302 CG GLU A 87 6.913 -1.254 -9.570 1.00 0.00 C ATOM 1303 CD GLU A 87 7.245 0.114 -10.193 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.997 0.166 -11.196 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.714 1.145 -9.713 1.00 0.00 O ATOM 0 H GLU A 87 9.864 -3.315 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 87 7.095 -3.239 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.653 -1.360 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.878 -2.096 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.416 -1.878 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.211 -1.116 -8.748 1.00 0.00 H new ATOM 1312 N ALA A 88 6.003 -4.816 -9.200 1.00 0.00 N ATOM 1313 CA ALA A 88 5.173 -5.543 -10.159 1.00 0.00 C ATOM 1314 C ALA A 88 4.470 -4.556 -11.111 1.00 0.00 C ATOM 1315 O ALA A 88 4.363 -4.816 -12.312 1.00 0.00 O ATOM 1316 CB ALA A 88 4.160 -6.392 -9.387 1.00 0.00 C ATOM 0 H ALA A 88 5.587 -4.749 -8.271 1.00 0.00 H new ATOM 0 HA ALA A 88 5.793 -6.200 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.534 -6.940 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.689 -7.097 -8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.535 -5.744 -8.773 1.00 0.00 H new ATOM 1322 N GLY A 89 4.032 -3.409 -10.570 1.00 0.00 N ATOM 1323 CA GLY A 89 3.562 -2.269 -11.366 1.00 0.00 C ATOM 1324 C GLY A 89 2.720 -1.271 -10.584 1.00 0.00 C ATOM 1325 O GLY A 89 3.221 -0.236 -10.137 1.00 0.00 O ATOM 0 H GLY A 89 3.994 -3.247 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.425 -1.751 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.977 -2.643 -12.206 1.00 0.00 H new ATOM 1329 N ALA A 90 1.434 -1.584 -10.423 1.00 0.00 N ATOM 1330 CA ALA A 90 0.426 -0.738 -9.774 1.00 0.00 C ATOM 1331 C ALA A 90 -0.837 -1.540 -9.394 1.00 0.00 C ATOM 1332 O ALA A 90 -1.189 -2.522 -10.058 1.00 0.00 O ATOM 1333 CB ALA A 90 0.043 0.405 -10.731 1.00 0.00 C ATOM 0 H ALA A 90 1.048 -2.469 -10.754 1.00 0.00 H new ATOM 0 HA ALA A 90 0.854 -0.340 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.706 1.040 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.928 0.998 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.364 -0.012 -11.652 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.541 -1.094 -8.351 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.877 -1.592 -7.998 1.00 0.00 C ATOM 1341 C TYR A 91 -3.945 -0.983 -8.929 1.00 0.00 C ATOM 1342 O TYR A 91 -3.798 0.143 -9.418 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.153 -1.216 -6.537 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.575 -1.450 -6.054 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.977 -2.719 -5.602 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.510 -0.394 -6.094 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.311 -2.938 -5.197 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.838 -0.607 -5.695 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.249 -1.885 -5.259 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.546 -2.104 -4.905 1.00 0.00 O ATOM 0 H TYR A 91 -1.198 -0.370 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.918 -2.675 -8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.474 -1.784 -5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.911 -0.162 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.263 -3.528 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.202 0.584 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.614 -3.911 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.547 0.208 -5.721 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.672 -3.053 -4.696 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.043 -1.706 -9.148 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.249 -1.211 -9.825 1.00 0.00 C ATOM 1362 C ASP A 92 -7.510 -1.887 -9.246 1.00 0.00 C ATOM 1363 O ASP A 92 -7.596 -3.119 -9.173 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.142 -1.433 -11.342 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.375 -0.888 -12.078 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.637 0.336 -11.996 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -8.083 -1.680 -12.746 1.00 0.00 O ATOM 0 H ASP A 92 -5.124 -2.679 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.335 -0.139 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.245 -0.943 -11.720 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.035 -2.498 -11.548 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.483 -1.078 -8.826 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.698 -1.548 -8.151 1.00 0.00 C ATOM 1374 C GLY A 93 -10.493 -0.425 -7.458 1.00 0.00 C ATOM 1375 O GLY A 93 -10.221 0.757 -7.702 1.00 0.00 O ATOM 0 H GLY A 93 -8.451 -0.065 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.341 -2.040 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.424 -2.299 -7.410 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.483 -0.775 -6.607 1.00 0.00 N ATOM 1380 CA PRO A 94 -12.363 0.171 -5.911 1.00 0.00 C ATOM 1381 C PRO A 94 -11.691 1.265 -5.051 1.00 0.00 C ATOM 1382 O PRO A 94 -12.348 2.262 -4.742 1.00 0.00 O ATOM 1383 CB PRO A 94 -13.274 -0.699 -5.037 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.333 -2.027 -5.783 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.932 -2.143 -6.376 1.00 0.00 C ATOM 0 HA PRO A 94 -12.877 0.759 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.867 -0.822 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.264 -0.257 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.559 -2.857 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.101 -2.023 -6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.261 -2.665 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.947 -2.712 -7.306 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.409 1.110 -4.672 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.660 2.010 -3.758 1.00 0.00 C ATOM 1395 C ARG A 95 -10.416 2.262 -2.436 1.00 0.00 C ATOM 1396 O ARG A 95 -10.635 3.392 -1.997 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.204 3.276 -4.519 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.068 4.018 -3.799 1.00 0.00 C ATOM 1399 CD ARG A 95 -7.485 5.171 -4.634 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.443 6.285 -4.778 1.00 0.00 N ATOM 1401 CZ ARG A 95 -8.300 7.365 -5.530 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.229 7.582 -6.243 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -9.237 8.270 -5.578 1.00 0.00 N ATOM 0 H ARG A 95 -9.841 0.329 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.745 1.517 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.874 2.996 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.053 3.949 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.440 4.412 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.273 3.311 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.572 5.536 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.208 4.801 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.307 6.215 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.464 6.907 -6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.156 8.427 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.091 8.150 -5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.117 9.098 -6.161 1.00 0.00 H new ATOM 1417 N THR A 96 -10.826 1.156 -1.817 1.00 0.00 N ATOM 1418 CA THR A 96 -11.523 1.031 -0.518 1.00 0.00 C ATOM 1419 C THR A 96 -11.096 -0.283 0.151 1.00 0.00 C ATOM 1420 O THR A 96 -10.560 -1.158 -0.530 1.00 0.00 O ATOM 1421 CB THR A 96 -13.058 1.004 -0.683 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.462 -0.021 -1.563 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.643 2.316 -1.211 1.00 0.00 C ATOM 0 H THR A 96 -10.670 0.241 -2.240 1.00 0.00 H new ATOM 0 HA THR A 96 -11.254 1.898 0.085 1.00 0.00 H new ATOM 0 HB THR A 96 -13.438 0.831 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.438 -0.015 -1.646 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.725 2.222 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.405 3.125 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.216 2.537 -2.189 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.344 -0.460 1.453 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.966 -1.659 2.211 1.00 0.00 C ATOM 1433 C ALA A 97 -11.369 -2.980 1.527 1.00 0.00 C ATOM 1434 O ALA A 97 -10.555 -3.890 1.357 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.584 -1.571 3.614 1.00 0.00 C ATOM 0 H ALA A 97 -11.822 0.239 2.021 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.878 -1.679 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.311 -2.456 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.211 -0.681 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.669 -1.513 3.531 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.625 -3.054 1.080 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.209 -4.208 0.385 1.00 0.00 C ATOM 1443 C ASP A 98 -12.517 -4.478 -0.951 1.00 0.00 C ATOM 1444 O ASP A 98 -12.342 -5.628 -1.345 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.683 -3.914 0.117 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.475 -5.188 -0.218 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.611 -6.065 0.668 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.991 -5.300 -1.355 1.00 0.00 O ATOM 0 H ASP A 98 -13.287 -2.287 1.195 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.083 -5.087 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.122 -3.435 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.767 -3.208 -0.709 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.103 -3.408 -1.630 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.356 -3.442 -2.888 1.00 0.00 C ATOM 1455 C GLY A 99 -9.941 -4.006 -2.750 1.00 0.00 C ATOM 1456 O GLY A 99 -9.420 -4.575 -3.711 1.00 0.00 O ATOM 0 H GLY A 99 -12.286 -2.458 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.908 -4.043 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.297 -2.431 -3.292 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.308 -3.880 -1.581 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.997 -4.490 -1.304 1.00 0.00 C ATOM 1462 C ILE A 100 -8.155 -5.984 -0.965 1.00 0.00 C ATOM 1463 O ILE A 100 -7.461 -6.830 -1.534 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.257 -3.766 -0.157 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.351 -2.219 -0.178 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.784 -4.205 -0.176 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.952 -1.526 -1.493 1.00 0.00 C ATOM 0 H ILE A 100 -9.688 -3.352 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.397 -4.388 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.759 -4.059 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.376 -1.936 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.719 -1.828 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.245 -3.704 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.724 -5.284 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.337 -3.939 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.060 -0.447 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.915 -1.765 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.598 -1.875 -2.299 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.110 -6.312 -0.082 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.456 -7.699 0.268 1.00 0.00 C ATOM 1481 C VAL A 101 -9.922 -8.488 -0.960 1.00 0.00 C ATOM 1482 O VAL A 101 -9.509 -9.629 -1.154 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.522 -7.732 1.385 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -10.900 -9.164 1.788 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.012 -7.027 2.647 1.00 0.00 C ATOM 0 H VAL A 101 -9.669 -5.617 0.413 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.554 -8.182 0.644 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.396 -7.224 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.652 -9.134 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.302 -9.691 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.015 -9.685 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.780 -7.063 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.113 -7.528 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.780 -5.988 2.415 1.00 0.00 H new ATOM 1495 N SER A 102 -10.725 -7.875 -1.831 1.00 0.00 N ATOM 1496 CA SER A 102 -11.142 -8.464 -3.121 1.00 0.00 C ATOM 1497 C SER A 102 -9.960 -8.769 -4.053 1.00 0.00 C ATOM 1498 O SER A 102 -9.877 -9.862 -4.615 1.00 0.00 O ATOM 1499 CB SER A 102 -12.138 -7.558 -3.858 1.00 0.00 C ATOM 1500 OG SER A 102 -13.324 -7.414 -3.098 1.00 0.00 O ATOM 0 H SER A 102 -11.112 -6.946 -1.666 1.00 0.00 H new ATOM 0 HA SER A 102 -11.623 -9.408 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.690 -6.580 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.372 -7.982 -4.834 1.00 0.00 H new ATOM 0 HG SER A 102 -13.171 -6.775 -2.371 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.011 -7.834 -4.190 1.00 0.00 N ATOM 1507 CA HIS A 103 -7.810 -8.026 -5.003 1.00 0.00 C ATOM 1508 C HIS A 103 -6.915 -9.159 -4.471 1.00 0.00 C ATOM 1509 O HIS A 103 -6.354 -9.922 -5.260 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.068 -6.686 -5.053 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.672 -6.767 -5.606 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.305 -6.661 -6.930 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.529 -6.965 -4.878 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -3.970 -6.804 -6.998 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.448 -6.996 -5.770 1.00 0.00 N ATOM 0 H HIS A 103 -9.058 -6.921 -3.737 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.093 -8.338 -6.008 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.645 -5.988 -5.659 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.023 -6.272 -4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.471 -7.077 -3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.395 -6.770 -7.911 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.465 -7.136 -5.537 1.00 0.00 H new ATOM 1523 N LEU A 104 -6.824 -9.315 -3.143 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.118 -10.432 -2.500 1.00 0.00 C ATOM 1525 C LEU A 104 -6.870 -11.763 -2.676 1.00 0.00 C ATOM 1526 O LEU A 104 -6.278 -12.740 -3.142 1.00 0.00 O ATOM 1527 CB LEU A 104 -5.873 -10.063 -1.024 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.064 -11.066 -0.171 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -5.913 -12.221 0.366 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -3.847 -11.634 -0.907 1.00 0.00 C ATOM 0 H LEU A 104 -7.242 -8.663 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.154 -10.592 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.357 -9.103 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.842 -9.918 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.712 -10.475 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.286 -12.889 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.712 -11.825 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.346 -12.773 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.321 -12.332 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.176 -12.155 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.177 -10.820 -1.184 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.165 -11.840 -2.336 1.00 0.00 N ATOM 1543 CA LYS A 105 -8.894 -13.124 -2.319 1.00 0.00 C ATOM 1544 C LYS A 105 -8.979 -13.788 -3.702 1.00 0.00 C ATOM 1545 O LYS A 105 -8.892 -15.012 -3.790 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.259 -12.979 -1.619 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.361 -12.375 -2.495 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.631 -12.091 -1.682 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.741 -11.545 -2.592 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.973 -11.239 -1.813 1.00 0.00 N ATOM 0 H LYS A 105 -8.730 -11.034 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.308 -13.820 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.583 -13.961 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.134 -12.356 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.002 -11.450 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.595 -13.059 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.969 -13.005 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.412 -11.371 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.392 -10.643 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.970 -12.275 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.706 -10.872 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.317 -12.106 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.757 -10.525 -1.088 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.042 -12.988 -4.780 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.080 -13.453 -6.186 1.00 0.00 C ATOM 1566 C LYS A 106 -7.813 -14.191 -6.661 1.00 0.00 C ATOM 1567 O LYS A 106 -7.871 -14.882 -7.679 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.387 -12.254 -7.102 1.00 0.00 C ATOM 1569 CG LYS A 106 -10.852 -11.791 -7.054 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.813 -12.757 -7.764 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.231 -12.176 -7.756 1.00 0.00 C ATOM 1572 NZ LYS A 106 -14.197 -13.064 -8.459 1.00 0.00 N ATOM 0 H LYS A 106 -9.069 -11.971 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.871 -14.201 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.744 -11.420 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.134 -12.520 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.159 -11.682 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.931 -10.806 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.484 -12.924 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.804 -13.726 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.557 -12.027 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.225 -11.196 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.145 -12.636 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.900 -13.186 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.222 -13.991 -7.989 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.705 -14.094 -5.916 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.440 -14.786 -6.193 1.00 0.00 C ATOM 1588 C GLN A 107 -5.037 -15.769 -5.079 1.00 0.00 C ATOM 1589 O GLN A 107 -4.503 -16.841 -5.366 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.342 -13.749 -6.473 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.130 -12.674 -5.393 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.117 -11.605 -5.806 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -1.945 -11.866 -6.048 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.531 -10.360 -5.896 1.00 0.00 N ATOM 0 H GLN A 107 -6.663 -13.514 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.580 -15.403 -7.080 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.400 -14.278 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.575 -13.249 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.084 -12.196 -5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.791 -13.152 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.505 -10.131 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.878 -9.624 -6.165 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.330 -15.431 -3.819 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.074 -16.295 -2.659 1.00 0.00 C ATOM 1605 C ALA A 108 -5.979 -17.546 -2.592 1.00 0.00 C ATOM 1606 O ALA A 108 -5.520 -18.603 -2.150 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.228 -15.454 -1.384 1.00 0.00 C ATOM 0 H ALA A 108 -5.757 -14.538 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.059 -16.680 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.041 -16.079 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.512 -14.632 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.240 -15.052 -1.333 1.00 0.00 H new