USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.892 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.109 (180deg=-0.312) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0597 (180deg=-0.409) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 140:sc= 0.355 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.38 K(o=-3.4,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 50 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= -1.26! (180deg=-2.28!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 -4.541 8.977 -0.731 1.00 0.00 N ATOM 2 CA GLU A 7 -3.108 9.248 -0.755 1.00 0.00 C ATOM 3 C GLU A 7 -2.532 9.016 -2.148 1.00 0.00 C ATOM 4 O GLU A 7 -3.261 8.692 -3.086 1.00 0.00 O ATOM 5 CB GLU A 7 -2.384 8.363 0.262 1.00 0.00 C ATOM 6 CG GLU A 7 -1.207 9.051 0.938 1.00 0.00 C ATOM 7 CD GLU A 7 -1.451 9.309 2.413 1.00 0.00 C ATOM 8 OE1 GLU A 7 -2.631 9.393 2.813 1.00 0.00 O ATOM 9 OE2 GLU A 7 -0.462 9.427 3.165 1.00 0.00 O ATOM 0 HA GLU A 7 -2.958 10.294 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.095 8.044 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.029 7.463 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.316 8.434 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.007 9.997 0.436 1.00 0.00 H new ATOM 14 N LEU A 8 -1.220 9.181 -2.275 1.00 0.00 N ATOM 15 CA LEU A 8 -0.547 8.988 -3.555 1.00 0.00 C ATOM 16 C LEU A 8 0.696 8.121 -3.390 1.00 0.00 C ATOM 17 O LEU A 8 1.818 8.627 -3.343 1.00 0.00 O ATOM 18 CB LEU A 8 -0.165 10.339 -4.163 1.00 0.00 C ATOM 19 CG LEU A 8 -0.211 10.397 -5.691 1.00 0.00 C ATOM 20 CD1 LEU A 8 0.758 9.391 -6.293 1.00 0.00 C ATOM 21 CD2 LEU A 8 -1.625 10.142 -6.190 1.00 0.00 C ATOM 0 H LEU A 8 -0.602 9.448 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.237 8.478 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.834 11.102 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.842 10.596 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 8 0.091 11.395 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.711 9.447 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.771 9.618 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.487 8.386 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.640 10.187 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.954 9.156 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.296 10.901 -5.786 1.00 0.00 H new ATOM 32 N VAL A 9 0.490 6.809 -3.302 1.00 0.00 N ATOM 33 CA VAL A 9 1.593 5.865 -3.143 1.00 0.00 C ATOM 34 C VAL A 9 1.250 4.512 -3.761 1.00 0.00 C ATOM 35 O VAL A 9 1.502 3.463 -3.167 1.00 0.00 O ATOM 36 CB VAL A 9 1.952 5.664 -1.658 1.00 0.00 C ATOM 37 CG1 VAL A 9 2.613 6.911 -1.094 1.00 0.00 C ATOM 38 CG2 VAL A 9 0.712 5.298 -0.856 1.00 0.00 C ATOM 0 H VAL A 9 -0.432 6.375 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 9 2.452 6.291 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 9 2.662 4.841 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.859 6.749 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.525 7.123 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.930 7.756 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.983 5.160 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.023 6.098 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.286 4.373 -1.246 1.00 0.00 H new ATOM 48 N LEU A 10 0.674 4.546 -4.959 1.00 0.00 N ATOM 49 CA LEU A 10 0.292 3.324 -5.662 1.00 0.00 C ATOM 50 C LEU A 10 1.457 2.339 -5.726 1.00 0.00 C ATOM 51 O LEU A 10 2.469 2.603 -6.376 1.00 0.00 O ATOM 52 CB LEU A 10 -0.188 3.654 -7.075 1.00 0.00 C ATOM 53 CG LEU A 10 0.824 4.411 -7.943 1.00 0.00 C ATOM 54 CD1 LEU A 10 1.158 3.615 -9.196 1.00 0.00 C ATOM 55 CD2 LEU A 10 0.290 5.787 -8.311 1.00 0.00 C ATOM 0 H LEU A 10 0.461 5.406 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.522 2.857 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.453 2.724 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.099 4.248 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 10 1.739 4.541 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.878 4.170 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.586 2.653 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.250 3.451 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.022 6.309 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.641 5.679 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.105 6.361 -7.403 1.00 0.00 H new ATOM 66 N ALA A 11 1.304 1.203 -5.048 1.00 0.00 N ATOM 67 CA ALA A 11 2.341 0.174 -5.028 1.00 0.00 C ATOM 68 C ALA A 11 2.697 -0.271 -6.441 1.00 0.00 C ATOM 69 O ALA A 11 2.051 -1.155 -7.006 1.00 0.00 O ATOM 70 CB ALA A 11 1.887 -1.014 -4.192 1.00 0.00 C ATOM 0 H ALA A 11 0.472 0.972 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 11 3.236 0.600 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.668 -1.774 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.690 -0.687 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.977 -1.434 -4.620 1.00 0.00 H new ATOM 76 N LEU A 12 3.730 0.346 -7.009 1.00 0.00 N ATOM 77 CA LEU A 12 4.179 0.019 -8.360 1.00 0.00 C ATOM 78 C LEU A 12 4.479 -1.472 -8.496 1.00 0.00 C ATOM 79 O LEU A 12 4.426 -2.028 -9.594 1.00 0.00 O ATOM 80 CB LEU A 12 5.422 0.836 -8.718 1.00 0.00 C ATOM 81 CG LEU A 12 5.139 2.226 -9.291 1.00 0.00 C ATOM 82 CD1 LEU A 12 6.049 3.266 -8.652 1.00 0.00 C ATOM 83 CD2 LEU A 12 5.308 2.224 -10.804 1.00 0.00 C ATOM 0 H LEU A 12 4.274 1.078 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 12 3.374 0.270 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.036 0.946 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.012 0.274 -9.442 1.00 0.00 H new ATOM 0 HG LEU A 12 4.106 2.488 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.832 4.248 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.878 3.287 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.090 3.009 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.103 3.221 -11.194 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.330 1.939 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.613 1.511 -11.247 1.00 0.00 H new ATOM 94 N TYR A 13 4.797 -2.116 -7.376 1.00 0.00 N ATOM 95 CA TYR A 13 5.105 -3.542 -7.380 1.00 0.00 C ATOM 96 C TYR A 13 4.464 -4.245 -6.187 1.00 0.00 C ATOM 97 O TYR A 13 5.100 -4.436 -5.150 1.00 0.00 O ATOM 98 CB TYR A 13 6.622 -3.755 -7.361 1.00 0.00 C ATOM 99 CG TYR A 13 7.197 -4.123 -8.710 1.00 0.00 C ATOM 100 CD1 TYR A 13 6.676 -5.181 -9.443 1.00 0.00 C ATOM 101 CD2 TYR A 13 8.263 -3.413 -9.249 1.00 0.00 C ATOM 102 CE1 TYR A 13 7.199 -5.521 -10.675 1.00 0.00 C ATOM 103 CE2 TYR A 13 8.791 -3.746 -10.481 1.00 0.00 C ATOM 104 CZ TYR A 13 8.256 -4.801 -11.189 1.00 0.00 C ATOM 105 OH TYR A 13 8.781 -5.137 -12.417 1.00 0.00 O ATOM 0 H TYR A 13 4.848 -1.675 -6.458 1.00 0.00 H new ATOM 0 HA TYR A 13 4.694 -3.974 -8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.104 -2.844 -7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.861 -4.542 -6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.848 -5.747 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.685 -2.587 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.782 -6.347 -11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.618 -3.183 -10.887 1.00 0.00 H new ATOM 0 HH TYR A 13 9.520 -4.531 -12.634 1.00 0.00 H new ATOM 114 N ASP A 14 3.202 -4.632 -6.342 1.00 0.00 N ATOM 115 CA ASP A 14 2.473 -5.320 -5.283 1.00 0.00 C ATOM 116 C ASP A 14 2.821 -6.808 -5.269 1.00 0.00 C ATOM 117 O ASP A 14 3.849 -7.216 -5.809 1.00 0.00 O ATOM 118 CB ASP A 14 0.965 -5.129 -5.467 1.00 0.00 C ATOM 119 CG ASP A 14 0.596 -3.698 -5.805 1.00 0.00 C ATOM 120 OD1 ASP A 14 0.792 -3.295 -6.971 1.00 0.00 O ATOM 121 OD2 ASP A 14 0.111 -2.981 -4.906 1.00 0.00 O ATOM 0 H ASP A 14 2.662 -4.480 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 14 2.767 -4.889 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.613 -5.788 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.451 -5.427 -4.553 1.00 0.00 H new ATOM 125 N TYR A 15 1.956 -7.617 -4.652 1.00 0.00 N ATOM 126 CA TYR A 15 2.165 -9.064 -4.570 1.00 0.00 C ATOM 127 C TYR A 15 3.214 -9.407 -3.516 1.00 0.00 C ATOM 128 O TYR A 15 3.557 -8.575 -2.674 1.00 0.00 O ATOM 129 CB TYR A 15 2.586 -9.625 -5.934 1.00 0.00 C ATOM 130 CG TYR A 15 1.962 -10.962 -6.261 1.00 0.00 C ATOM 131 CD1 TYR A 15 0.581 -11.117 -6.289 1.00 0.00 C ATOM 132 CD2 TYR A 15 2.752 -12.070 -6.539 1.00 0.00 C ATOM 133 CE1 TYR A 15 0.007 -12.338 -6.587 1.00 0.00 C ATOM 134 CE2 TYR A 15 2.185 -13.294 -6.838 1.00 0.00 C ATOM 135 CZ TYR A 15 0.813 -13.424 -6.861 1.00 0.00 C ATOM 136 OH TYR A 15 0.245 -14.641 -7.158 1.00 0.00 O ATOM 0 H TYR A 15 1.101 -7.292 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 15 1.221 -9.522 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.316 -8.909 -6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.671 -9.726 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.053 -10.270 -6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.828 -11.973 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.068 -12.442 -6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.814 -14.145 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 15 0.951 -15.299 -7.327 1.00 0.00 H new ATOM 145 N GLN A 16 3.716 -10.641 -3.563 1.00 0.00 N ATOM 146 CA GLN A 16 4.723 -11.104 -2.612 1.00 0.00 C ATOM 147 C GLN A 16 4.091 -11.398 -1.254 1.00 0.00 C ATOM 148 O GLN A 16 4.028 -12.550 -0.827 1.00 0.00 O ATOM 149 CB GLN A 16 5.842 -10.069 -2.456 1.00 0.00 C ATOM 150 CG GLN A 16 6.280 -9.444 -3.771 1.00 0.00 C ATOM 151 CD GLN A 16 7.774 -9.196 -3.829 1.00 0.00 C ATOM 152 OE1 GLN A 16 8.562 -9.949 -3.260 1.00 0.00 O ATOM 153 NE2 GLN A 16 8.170 -8.135 -4.521 1.00 0.00 N ATOM 0 H GLN A 16 3.439 -11.339 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 16 5.153 -12.026 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.505 -9.281 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.702 -10.544 -1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.992 -10.098 -4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.753 -8.501 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.481 -7.537 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.164 -7.917 -4.597 1.00 0.00 H new ATOM 160 N GLU A 17 3.623 -10.349 -0.583 1.00 0.00 N ATOM 161 CA GLU A 17 2.994 -10.493 0.726 1.00 0.00 C ATOM 162 C GLU A 17 3.985 -11.038 1.753 1.00 0.00 C ATOM 163 O GLU A 17 4.527 -10.287 2.563 1.00 0.00 O ATOM 164 CB GLU A 17 1.769 -11.408 0.629 1.00 0.00 C ATOM 165 CG GLU A 17 1.057 -11.619 1.955 1.00 0.00 C ATOM 166 CD GLU A 17 0.411 -12.988 2.057 1.00 0.00 C ATOM 167 OE1 GLU A 17 1.149 -13.994 2.042 1.00 0.00 O ATOM 168 OE2 GLU A 17 -0.833 -13.052 2.155 1.00 0.00 O ATOM 0 H GLU A 17 3.668 -9.389 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 17 2.671 -9.506 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.066 -10.984 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.080 -12.376 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.770 -11.496 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.294 -10.851 2.080 1.00 0.00 H new ATOM 173 N LYS A 18 4.217 -12.348 1.714 1.00 0.00 N ATOM 174 CA LYS A 18 5.144 -12.988 2.640 1.00 0.00 C ATOM 175 C LYS A 18 4.717 -12.757 4.088 1.00 0.00 C ATOM 176 O LYS A 18 5.529 -12.378 4.934 1.00 0.00 O ATOM 177 CB LYS A 18 6.564 -12.460 2.422 1.00 0.00 C ATOM 178 CG LYS A 18 7.635 -13.532 2.528 1.00 0.00 C ATOM 179 CD LYS A 18 7.494 -14.572 1.429 1.00 0.00 C ATOM 180 CE LYS A 18 7.771 -15.973 1.947 1.00 0.00 C ATOM 181 NZ LYS A 18 9.185 -16.132 2.387 1.00 0.00 N ATOM 0 H LYS A 18 3.776 -12.985 1.051 1.00 0.00 H new ATOM 0 HA LYS A 18 5.130 -14.060 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.623 -11.996 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.769 -11.680 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.620 -13.070 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.569 -14.019 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.487 -14.529 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.184 -14.340 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.104 -16.190 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.550 -16.700 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.334 -17.101 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.821 -15.950 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.389 -15.456 3.151 1.00 0.00 H new ATOM 191 N SER A 19 3.439 -12.989 4.368 1.00 0.00 N ATOM 192 CA SER A 19 2.905 -12.807 5.713 1.00 0.00 C ATOM 193 C SER A 19 1.427 -13.186 5.768 1.00 0.00 C ATOM 194 O SER A 19 0.702 -13.038 4.783 1.00 0.00 O ATOM 195 CB SER A 19 3.088 -11.356 6.164 1.00 0.00 C ATOM 196 OG SER A 19 2.265 -11.061 7.280 1.00 0.00 O ATOM 0 H SER A 19 2.753 -13.304 3.681 1.00 0.00 H new ATOM 0 HA SER A 19 3.455 -13.463 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.132 -11.181 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.846 -10.683 5.342 1.00 0.00 H new ATOM 0 HG SER A 19 2.402 -10.129 7.550 1.00 0.00 H new ATOM 201 N PRO A 20 0.957 -13.682 6.928 1.00 0.00 N ATOM 202 CA PRO A 20 -0.443 -14.083 7.108 1.00 0.00 C ATOM 203 C PRO A 20 -1.392 -12.890 7.084 1.00 0.00 C ATOM 204 O PRO A 20 -2.523 -12.992 6.609 1.00 0.00 O ATOM 205 CB PRO A 20 -0.453 -14.746 8.487 1.00 0.00 C ATOM 206 CG PRO A 20 0.712 -14.151 9.203 1.00 0.00 C ATOM 207 CD PRO A 20 1.753 -13.891 8.152 1.00 0.00 C ATOM 0 HA PRO A 20 -0.785 -14.737 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.386 -14.547 9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.357 -15.829 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.429 -13.228 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.090 -14.831 9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.357 -13.016 8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.438 -14.733 8.047 1.00 0.00 H new ATOM 212 N ARG A 21 -0.923 -11.759 7.601 1.00 0.00 N ATOM 213 CA ARG A 21 -1.730 -10.544 7.640 1.00 0.00 C ATOM 214 C ARG A 21 -1.226 -9.526 6.620 1.00 0.00 C ATOM 215 O ARG A 21 -0.726 -8.461 6.984 1.00 0.00 O ATOM 216 CB ARG A 21 -1.705 -9.937 9.044 1.00 0.00 C ATOM 217 CG ARG A 21 -3.010 -9.260 9.436 1.00 0.00 C ATOM 218 CD ARG A 21 -3.729 -10.029 10.535 1.00 0.00 C ATOM 219 NE ARG A 21 -3.009 -9.970 11.805 1.00 0.00 N ATOM 220 CZ ARG A 21 -3.416 -10.577 12.917 1.00 0.00 C ATOM 221 NH1 ARG A 21 -4.537 -11.287 12.922 1.00 0.00 N ATOM 222 NH2 ARG A 21 -2.701 -10.472 14.029 1.00 0.00 N ATOM 0 H ARG A 21 0.011 -11.658 7.999 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.757 -10.808 7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.481 -10.722 9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.896 -9.209 9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.807 -8.244 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.657 -9.181 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.731 -9.621 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.846 -11.070 10.232 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.143 -9.432 11.841 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.092 -11.370 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.844 -11.750 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.839 -9.926 14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.013 -10.937 14.882 1.00 0.00 H new ATOM 233 N GLU A 22 -1.358 -9.864 5.341 1.00 0.00 N ATOM 234 CA GLU A 22 -0.914 -8.980 4.269 1.00 0.00 C ATOM 235 C GLU A 22 -1.770 -9.164 3.020 1.00 0.00 C ATOM 236 O GLU A 22 -2.728 -9.937 3.020 1.00 0.00 O ATOM 237 CB GLU A 22 0.555 -9.246 3.936 1.00 0.00 C ATOM 238 CG GLU A 22 1.525 -8.384 4.729 1.00 0.00 C ATOM 239 CD GLU A 22 2.719 -7.945 3.906 1.00 0.00 C ATOM 240 OE1 GLU A 22 2.527 -7.595 2.723 1.00 0.00 O ATOM 241 OE2 GLU A 22 3.846 -7.949 4.444 1.00 0.00 O ATOM 0 H GLU A 22 -1.768 -10.742 5.022 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.022 -7.952 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.777 -10.296 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.715 -9.073 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.002 -7.504 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.873 -8.941 5.599 1.00 0.00 H new ATOM 246 N VAL A 23 -1.418 -8.450 1.958 1.00 0.00 N ATOM 247 CA VAL A 23 -2.151 -8.534 0.700 1.00 0.00 C ATOM 248 C VAL A 23 -1.198 -8.702 -0.478 1.00 0.00 C ATOM 249 O VAL A 23 -0.034 -8.310 -0.407 1.00 0.00 O ATOM 250 CB VAL A 23 -3.022 -7.283 0.469 1.00 0.00 C ATOM 251 CG1 VAL A 23 -4.015 -7.523 -0.659 1.00 0.00 C ATOM 252 CG2 VAL A 23 -3.747 -6.889 1.748 1.00 0.00 C ATOM 0 H VAL A 23 -0.628 -7.805 1.942 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.799 -9.408 0.769 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.368 -6.460 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.621 -6.629 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.474 -7.751 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.662 -8.361 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.356 -6.004 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.388 -7.710 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.017 -6.671 2.528 1.00 0.00 H new ATOM 262 N THR A 24 -1.698 -9.290 -1.562 1.00 0.00 N ATOM 263 CA THR A 24 -0.888 -9.513 -2.758 1.00 0.00 C ATOM 264 C THR A 24 -1.264 -8.538 -3.869 1.00 0.00 C ATOM 265 O THR A 24 -0.558 -7.562 -4.112 1.00 0.00 O ATOM 266 CB THR A 24 -1.052 -10.953 -3.248 1.00 0.00 C ATOM 267 OG1 THR A 24 -2.336 -11.451 -2.918 1.00 0.00 O ATOM 268 CG2 THR A 24 -0.028 -11.904 -2.668 1.00 0.00 C ATOM 0 H THR A 24 -2.660 -9.621 -1.637 1.00 0.00 H new ATOM 0 HA THR A 24 0.155 -9.341 -2.493 1.00 0.00 H new ATOM 0 HB THR A 24 -0.911 -10.908 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.423 -12.372 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.202 -12.907 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.973 -11.575 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.116 -11.916 -1.582 1.00 0.00 H new ATOM 276 N MET A 25 -2.379 -8.815 -4.543 1.00 0.00 N ATOM 277 CA MET A 25 -2.858 -7.970 -5.636 1.00 0.00 C ATOM 278 C MET A 25 -1.734 -7.637 -6.619 1.00 0.00 C ATOM 279 O MET A 25 -0.621 -8.151 -6.500 1.00 0.00 O ATOM 280 CB MET A 25 -3.491 -6.683 -5.089 1.00 0.00 C ATOM 281 CG MET A 25 -2.491 -5.658 -4.569 1.00 0.00 C ATOM 282 SD MET A 25 -2.331 -5.692 -2.773 1.00 0.00 S ATOM 283 CE MET A 25 -3.163 -4.171 -2.328 1.00 0.00 C ATOM 0 H MET A 25 -2.971 -9.623 -4.350 1.00 0.00 H new ATOM 0 HA MET A 25 -3.620 -8.531 -6.177 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.087 -6.223 -5.877 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.176 -6.945 -4.283 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.517 -5.846 -5.020 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.801 -4.662 -4.883 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.147 -4.051 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.654 -3.328 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.196 -4.207 -2.674 1.00 0.00 H new ATOM 291 N LYS A 26 -2.034 -6.779 -7.587 1.00 0.00 N ATOM 292 CA LYS A 26 -1.048 -6.382 -8.588 1.00 0.00 C ATOM 293 C LYS A 26 -1.636 -5.358 -9.555 1.00 0.00 C ATOM 294 O LYS A 26 -2.427 -5.702 -10.435 1.00 0.00 O ATOM 295 CB LYS A 26 -0.550 -7.608 -9.359 1.00 0.00 C ATOM 296 CG LYS A 26 0.904 -7.950 -9.078 1.00 0.00 C ATOM 297 CD LYS A 26 1.839 -6.841 -9.532 1.00 0.00 C ATOM 298 CE LYS A 26 2.527 -7.190 -10.842 1.00 0.00 C ATOM 299 NZ LYS A 26 1.552 -7.625 -11.881 1.00 0.00 N ATOM 0 H LYS A 26 -2.950 -6.345 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.206 -5.922 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.173 -8.466 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.674 -7.431 -10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.037 -8.124 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.165 -8.878 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.276 -5.916 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.590 -6.660 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.081 -6.324 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.254 -7.984 -10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.019 -7.642 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.202 -8.577 -11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.753 -6.960 -11.907 1.00 0.00 H new ATOM 309 N LYS A 27 -1.243 -4.099 -9.387 1.00 0.00 N ATOM 310 CA LYS A 27 -1.728 -3.024 -10.246 1.00 0.00 C ATOM 311 C LYS A 27 -1.143 -1.682 -9.818 1.00 0.00 C ATOM 312 O LYS A 27 -0.595 -1.553 -8.723 1.00 0.00 O ATOM 313 CB LYS A 27 -3.256 -2.960 -10.207 1.00 0.00 C ATOM 314 CG LYS A 27 -3.830 -2.944 -8.801 1.00 0.00 C ATOM 315 CD LYS A 27 -5.341 -2.774 -8.816 1.00 0.00 C ATOM 316 CE LYS A 27 -6.046 -4.087 -9.121 1.00 0.00 C ATOM 317 NZ LYS A 27 -5.858 -5.084 -8.031 1.00 0.00 N ATOM 0 H LYS A 27 -0.590 -3.798 -8.664 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.406 -3.235 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.587 -2.066 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.661 -3.817 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.573 -3.873 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.377 -2.132 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.675 -2.396 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.617 -2.029 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.111 -3.903 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.664 -4.495 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.598 -5.812 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.924 -5.530 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.921 -4.607 -7.109 1.00 0.00 H new ATOM 327 N GLY A 28 -1.264 -0.684 -10.687 1.00 0.00 N ATOM 328 CA GLY A 28 -0.744 0.634 -10.380 1.00 0.00 C ATOM 329 C GLY A 28 -1.800 1.554 -9.798 1.00 0.00 C ATOM 330 O GLY A 28 -1.673 2.777 -9.868 1.00 0.00 O ATOM 0 H GLY A 28 -1.713 -0.765 -11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.081 0.540 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.337 1.081 -11.287 1.00 0.00 H new ATOM 334 N ASP A 29 -2.842 0.966 -9.220 1.00 0.00 N ATOM 335 CA ASP A 29 -3.922 1.743 -8.623 1.00 0.00 C ATOM 336 C ASP A 29 -3.463 2.400 -7.326 1.00 0.00 C ATOM 337 O ASP A 29 -2.426 2.038 -6.770 1.00 0.00 O ATOM 338 CB ASP A 29 -5.134 0.848 -8.354 1.00 0.00 C ATOM 339 CG ASP A 29 -6.105 0.828 -9.519 1.00 0.00 C ATOM 340 OD1 ASP A 29 -6.124 1.806 -10.296 1.00 0.00 O ATOM 341 OD2 ASP A 29 -6.849 -0.167 -9.654 1.00 0.00 O ATOM 0 H ASP A 29 -2.961 -0.045 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.207 2.526 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.795 -0.167 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.650 1.198 -7.460 1.00 0.00 H new ATOM 345 N ILE A 30 -4.239 3.367 -6.850 1.00 0.00 N ATOM 346 CA ILE A 30 -3.906 4.071 -5.617 1.00 0.00 C ATOM 347 C ILE A 30 -4.440 3.326 -4.399 1.00 0.00 C ATOM 348 O ILE A 30 -5.247 2.406 -4.525 1.00 0.00 O ATOM 349 CB ILE A 30 -4.465 5.509 -5.610 1.00 0.00 C ATOM 350 CG1 ILE A 30 -4.371 6.132 -7.006 1.00 0.00 C ATOM 351 CG2 ILE A 30 -3.716 6.362 -4.596 1.00 0.00 C ATOM 352 CD1 ILE A 30 -2.969 6.128 -7.578 1.00 0.00 C ATOM 0 H ILE A 30 -5.100 3.681 -7.297 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.818 4.117 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.516 5.469 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.032 5.590 -7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.733 7.159 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.121 7.374 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.832 5.931 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.658 6.393 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.979 6.584 -8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.307 6.695 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.610 5.102 -7.655 1.00 0.00 H new ATOM 363 N LEU A 31 -3.977 3.727 -3.220 1.00 0.00 N ATOM 364 CA LEU A 31 -4.400 3.097 -1.976 1.00 0.00 C ATOM 365 C LEU A 31 -4.294 4.075 -0.811 1.00 0.00 C ATOM 366 O LEU A 31 -3.673 5.131 -0.928 1.00 0.00 O ATOM 367 CB LEU A 31 -3.553 1.850 -1.699 1.00 0.00 C ATOM 368 CG LEU A 31 -2.089 2.109 -1.313 1.00 0.00 C ATOM 369 CD1 LEU A 31 -1.485 3.220 -2.163 1.00 0.00 C ATOM 370 CD2 LEU A 31 -1.981 2.447 0.166 1.00 0.00 C ATOM 0 H LEU A 31 -3.307 4.487 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.443 2.800 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.026 1.283 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.569 1.218 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.523 1.197 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.448 3.381 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.523 2.935 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.052 4.140 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.937 2.628 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.567 3.341 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.361 1.615 0.758 1.00 0.00 H new ATOM 381 N THR A 32 -4.907 3.719 0.318 1.00 0.00 N ATOM 382 CA THR A 32 -4.880 4.570 1.506 1.00 0.00 C ATOM 383 C THR A 32 -3.903 4.030 2.544 1.00 0.00 C ATOM 384 O THR A 32 -3.534 2.856 2.513 1.00 0.00 O ATOM 385 CB THR A 32 -6.276 4.680 2.117 1.00 0.00 C ATOM 386 OG1 THR A 32 -7.203 5.176 1.166 1.00 0.00 O ATOM 387 CG2 THR A 32 -6.328 5.589 3.326 1.00 0.00 C ATOM 0 H THR A 32 -5.427 2.849 0.434 1.00 0.00 H new ATOM 0 HA THR A 32 -4.546 5.561 1.199 1.00 0.00 H new ATOM 0 HB THR A 32 -6.536 3.669 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.091 5.237 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.347 5.623 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.660 5.206 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.014 6.593 3.040 1.00 0.00 H new ATOM 395 N LEU A 33 -3.485 4.896 3.461 1.00 0.00 N ATOM 396 CA LEU A 33 -2.549 4.508 4.509 1.00 0.00 C ATOM 397 C LEU A 33 -3.135 4.778 5.890 1.00 0.00 C ATOM 398 O LEU A 33 -4.320 5.083 6.025 1.00 0.00 O ATOM 399 CB LEU A 33 -1.229 5.264 4.346 1.00 0.00 C ATOM 400 CG LEU A 33 -0.819 5.548 2.899 1.00 0.00 C ATOM 401 CD1 LEU A 33 0.439 6.404 2.860 1.00 0.00 C ATOM 402 CD2 LEU A 33 -0.604 4.246 2.142 1.00 0.00 C ATOM 0 H LEU A 33 -3.780 5.872 3.499 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.362 3.438 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.303 6.212 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.437 4.689 4.826 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.624 6.099 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.716 6.596 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.251 7.350 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.252 5.879 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.313 4.466 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.184 3.669 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.528 3.669 2.141 1.00 0.00 H new ATOM 413 N LEU A 34 -2.297 4.661 6.915 1.00 0.00 N ATOM 414 CA LEU A 34 -2.731 4.893 8.289 1.00 0.00 C ATOM 415 C LEU A 34 -1.534 5.144 9.201 1.00 0.00 C ATOM 416 O LEU A 34 -1.014 4.220 9.827 1.00 0.00 O ATOM 417 CB LEU A 34 -3.535 3.695 8.800 1.00 0.00 C ATOM 418 CG LEU A 34 -4.191 3.892 10.167 1.00 0.00 C ATOM 419 CD1 LEU A 34 -5.062 5.139 10.166 1.00 0.00 C ATOM 420 CD2 LEU A 34 -5.010 2.667 10.546 1.00 0.00 C ATOM 0 H LEU A 34 -1.314 4.407 6.821 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.366 5.779 8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.311 3.461 8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.875 2.829 8.852 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.405 4.024 10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.521 5.263 11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.449 6.011 9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.842 5.038 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.470 2.824 11.522 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.788 2.504 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.360 1.793 10.588 1.00 0.00 H new ATOM 431 N ASN A 35 -1.102 6.398 9.272 1.00 0.00 N ATOM 432 CA ASN A 35 0.032 6.771 10.108 1.00 0.00 C ATOM 433 C ASN A 35 1.299 6.051 9.656 1.00 0.00 C ATOM 434 O ASN A 35 1.682 5.031 10.228 1.00 0.00 O ATOM 435 CB ASN A 35 -0.258 6.446 11.574 1.00 0.00 C ATOM 436 CG ASN A 35 -0.908 7.603 12.306 1.00 0.00 C ATOM 437 OD1 ASN A 35 -2.024 8.009 11.983 1.00 0.00 O ATOM 438 ND2 ASN A 35 -0.211 8.141 13.300 1.00 0.00 N ATOM 0 H ASN A 35 -1.521 7.174 8.760 1.00 0.00 H new ATOM 0 HA ASN A 35 0.189 7.845 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.910 5.574 11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.673 6.180 12.075 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.598 8.922 13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.711 7.773 13.534 1.00 0.00 H new ATOM 444 N SER A 36 1.946 6.591 8.625 1.00 0.00 N ATOM 445 CA SER A 36 3.173 6.002 8.093 1.00 0.00 C ATOM 446 C SER A 36 4.303 7.027 8.065 1.00 0.00 C ATOM 447 O SER A 36 5.169 7.034 8.938 1.00 0.00 O ATOM 448 CB SER A 36 2.928 5.451 6.687 1.00 0.00 C ATOM 449 OG SER A 36 2.256 6.398 5.877 1.00 0.00 O ATOM 0 H SER A 36 1.641 7.436 8.141 1.00 0.00 H new ATOM 0 HA SER A 36 3.470 5.184 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.880 5.185 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.337 4.537 6.749 1.00 0.00 H new ATOM 0 HG SER A 36 2.633 6.381 4.973 1.00 0.00 H new ATOM 454 N THR A 37 4.285 7.896 7.055 1.00 0.00 N ATOM 455 CA THR A 37 5.307 8.929 6.909 1.00 0.00 C ATOM 456 C THR A 37 6.687 8.311 6.710 1.00 0.00 C ATOM 457 O THR A 37 6.996 7.262 7.276 1.00 0.00 O ATOM 458 CB THR A 37 5.318 9.841 8.138 1.00 0.00 C ATOM 459 OG1 THR A 37 4.033 10.389 8.368 1.00 0.00 O ATOM 460 CG2 THR A 37 6.295 10.991 8.021 1.00 0.00 C ATOM 0 H THR A 37 3.572 7.904 6.325 1.00 0.00 H new ATOM 0 HA THR A 37 5.064 9.520 6.026 1.00 0.00 H new ATOM 0 HB THR A 37 5.629 9.205 8.967 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.061 10.967 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.252 11.598 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.304 10.599 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.033 11.605 7.159 1.00 0.00 H new ATOM 468 N ASN A 38 7.513 8.969 5.902 1.00 0.00 N ATOM 469 CA ASN A 38 8.864 8.491 5.625 1.00 0.00 C ATOM 470 C ASN A 38 8.839 7.070 5.060 1.00 0.00 C ATOM 471 O ASN A 38 7.806 6.399 5.080 1.00 0.00 O ATOM 472 CB ASN A 38 9.724 8.565 6.899 1.00 0.00 C ATOM 473 CG ASN A 38 10.102 7.203 7.459 1.00 0.00 C ATOM 474 OD1 ASN A 38 9.247 6.345 7.674 1.00 0.00 O ATOM 475 ND2 ASN A 38 11.394 7.000 7.696 1.00 0.00 N ATOM 0 H ASN A 38 7.269 9.838 5.426 1.00 0.00 H new ATOM 0 HA ASN A 38 9.311 9.137 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.634 9.124 6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.181 9.124 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.709 6.105 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.070 7.739 7.503 1.00 0.00 H new ATOM 481 N LYS A 39 9.984 6.621 4.557 1.00 0.00 N ATOM 482 CA LYS A 39 10.101 5.284 3.986 1.00 0.00 C ATOM 483 C LYS A 39 9.123 5.100 2.819 1.00 0.00 C ATOM 484 O LYS A 39 9.285 5.726 1.771 1.00 0.00 O ATOM 485 CB LYS A 39 9.871 4.227 5.071 1.00 0.00 C ATOM 486 CG LYS A 39 10.931 4.231 6.159 1.00 0.00 C ATOM 487 CD LYS A 39 11.992 3.171 5.907 1.00 0.00 C ATOM 488 CE LYS A 39 13.376 3.663 6.300 1.00 0.00 C ATOM 489 NZ LYS A 39 14.104 4.255 5.144 1.00 0.00 N ATOM 0 H LYS A 39 10.846 7.165 4.533 1.00 0.00 H new ATOM 0 HA LYS A 39 11.110 5.160 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.895 4.392 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.843 3.241 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.401 5.213 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.461 4.054 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.750 2.271 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.989 2.895 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.286 4.407 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.954 2.833 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.043 4.578 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.213 3.538 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.565 5.063 4.771 1.00 0.00 H new ATOM 499 N ASP A 40 8.111 4.249 2.997 1.00 0.00 N ATOM 500 CA ASP A 40 7.127 4.004 1.949 1.00 0.00 C ATOM 501 C ASP A 40 6.060 3.021 2.424 1.00 0.00 C ATOM 502 O ASP A 40 4.901 3.390 2.611 1.00 0.00 O ATOM 503 CB ASP A 40 7.809 3.463 0.689 1.00 0.00 C ATOM 504 CG ASP A 40 6.857 3.362 -0.486 1.00 0.00 C ATOM 505 OD1 ASP A 40 5.629 3.380 -0.260 1.00 0.00 O ATOM 506 OD2 ASP A 40 7.342 3.267 -1.634 1.00 0.00 O ATOM 0 H ASP A 40 7.954 3.721 3.855 1.00 0.00 H new ATOM 0 HA ASP A 40 6.645 4.953 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.642 4.113 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.227 2.479 0.900 1.00 0.00 H new ATOM 510 N TRP A 41 6.461 1.768 2.616 1.00 0.00 N ATOM 511 CA TRP A 41 5.541 0.732 3.068 1.00 0.00 C ATOM 512 C TRP A 41 5.211 0.906 4.547 1.00 0.00 C ATOM 513 O TRP A 41 6.105 0.969 5.390 1.00 0.00 O ATOM 514 CB TRP A 41 6.142 -0.655 2.825 1.00 0.00 C ATOM 515 CG TRP A 41 7.371 -0.922 3.639 1.00 0.00 C ATOM 516 CD1 TRP A 41 7.427 -1.502 4.874 1.00 0.00 C ATOM 517 CD2 TRP A 41 8.723 -0.620 3.276 1.00 0.00 C ATOM 518 NE1 TRP A 41 8.731 -1.579 5.301 1.00 0.00 N ATOM 519 CE2 TRP A 41 9.546 -1.043 4.338 1.00 0.00 C ATOM 520 CE3 TRP A 41 9.320 -0.032 2.157 1.00 0.00 C ATOM 521 CZ2 TRP A 41 10.930 -0.897 4.313 1.00 0.00 C ATOM 522 CZ3 TRP A 41 10.694 0.112 2.133 1.00 0.00 C ATOM 523 CH2 TRP A 41 11.485 -0.319 3.205 1.00 0.00 C ATOM 0 H TRP A 41 7.417 1.446 2.465 1.00 0.00 H new ATOM 0 HA TRP A 41 4.618 0.825 2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.392 -1.413 3.053 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.386 -0.757 1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.571 -1.850 5.434 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.042 -1.971 6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.718 0.304 1.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.543 -1.228 5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 11.166 0.564 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.556 -0.192 3.156 1.00 0.00 H new ATOM 533 N TRP A 42 3.921 0.984 4.855 1.00 0.00 N ATOM 534 CA TRP A 42 3.473 1.152 6.233 1.00 0.00 C ATOM 535 C TRP A 42 1.973 0.908 6.351 1.00 0.00 C ATOM 536 O TRP A 42 1.180 1.850 6.379 1.00 0.00 O ATOM 537 CB TRP A 42 3.816 2.555 6.734 1.00 0.00 C ATOM 538 CG TRP A 42 5.178 2.649 7.351 1.00 0.00 C ATOM 539 CD1 TRP A 42 6.133 3.591 7.089 1.00 0.00 C ATOM 540 CD2 TRP A 42 5.740 1.770 8.332 1.00 0.00 C ATOM 541 NE1 TRP A 42 7.253 3.350 7.846 1.00 0.00 N ATOM 542 CE2 TRP A 42 7.037 2.239 8.619 1.00 0.00 C ATOM 543 CE3 TRP A 42 5.273 0.633 8.996 1.00 0.00 C ATOM 544 CZ2 TRP A 42 7.870 1.608 9.538 1.00 0.00 C ATOM 545 CZ3 TRP A 42 6.101 0.008 9.911 1.00 0.00 C ATOM 546 CH2 TRP A 42 7.386 0.497 10.174 1.00 0.00 C ATOM 0 H TRP A 42 3.167 0.934 4.170 1.00 0.00 H new ATOM 0 HA TRP A 42 3.990 0.417 6.850 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.753 3.256 5.901 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.071 2.863 7.467 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.023 4.406 6.389 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.107 3.907 7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.283 0.249 8.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.863 1.982 9.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.750 -0.871 10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.009 -0.013 10.894 1.00 0.00 H new ATOM 556 N LYS A 43 1.588 -0.362 6.422 1.00 0.00 N ATOM 557 CA LYS A 43 0.183 -0.732 6.538 1.00 0.00 C ATOM 558 C LYS A 43 -0.625 -0.188 5.364 1.00 0.00 C ATOM 559 O LYS A 43 -1.134 0.932 5.415 1.00 0.00 O ATOM 560 CB LYS A 43 -0.396 -0.211 7.856 1.00 0.00 C ATOM 561 CG LYS A 43 0.346 -0.709 9.084 1.00 0.00 C ATOM 562 CD LYS A 43 0.395 0.351 10.174 1.00 0.00 C ATOM 563 CE LYS A 43 -0.823 0.275 11.082 1.00 0.00 C ATOM 564 NZ LYS A 43 -0.675 -0.779 12.122 1.00 0.00 N ATOM 0 H LYS A 43 2.231 -1.153 6.401 1.00 0.00 H new ATOM 0 HA LYS A 43 0.119 -1.820 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.376 0.879 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.442 -0.510 7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.143 -1.604 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.361 -0.994 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.301 0.223 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.449 1.340 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.978 1.241 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.710 0.072 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.526 -0.799 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.553 -1.704 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.157 -0.572 12.710 1.00 0.00 H new ATOM 574 N VAL A 44 -0.741 -0.987 4.309 1.00 0.00 N ATOM 575 CA VAL A 44 -1.489 -0.584 3.124 1.00 0.00 C ATOM 576 C VAL A 44 -2.954 -0.988 3.236 1.00 0.00 C ATOM 577 O VAL A 44 -3.273 -2.078 3.711 1.00 0.00 O ATOM 578 CB VAL A 44 -0.896 -1.202 1.844 1.00 0.00 C ATOM 579 CG1 VAL A 44 -1.543 -0.596 0.608 1.00 0.00 C ATOM 580 CG2 VAL A 44 0.614 -1.015 1.808 1.00 0.00 C ATOM 0 H VAL A 44 -0.327 -1.917 4.250 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.416 0.502 3.061 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.107 -2.271 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.111 -1.045 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.616 -0.787 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.366 0.480 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.014 -1.458 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.849 0.049 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.062 -1.502 2.675 1.00 0.00 H new ATOM 590 N GLU A 45 -3.842 -0.103 2.794 1.00 0.00 N ATOM 591 CA GLU A 45 -5.275 -0.367 2.843 1.00 0.00 C ATOM 592 C GLU A 45 -6.028 0.540 1.877 1.00 0.00 C ATOM 593 O GLU A 45 -5.735 1.732 1.775 1.00 0.00 O ATOM 594 CB GLU A 45 -5.803 -0.168 4.265 1.00 0.00 C ATOM 595 CG GLU A 45 -5.380 1.150 4.892 1.00 0.00 C ATOM 596 CD GLU A 45 -5.044 1.015 6.364 1.00 0.00 C ATOM 597 OE1 GLU A 45 -5.982 1.012 7.188 1.00 0.00 O ATOM 598 OE2 GLU A 45 -3.844 0.913 6.694 1.00 0.00 O ATOM 0 H GLU A 45 -3.594 0.804 2.398 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.439 -1.402 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.892 -0.221 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.453 -0.988 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.512 1.539 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.181 1.879 4.772 1.00 0.00 H new ATOM 603 N VAL A 46 -6.997 -0.029 1.169 1.00 0.00 N ATOM 604 CA VAL A 46 -7.789 0.732 0.210 1.00 0.00 C ATOM 605 C VAL A 46 -9.145 0.072 -0.032 1.00 0.00 C ATOM 606 O VAL A 46 -10.177 0.742 -0.045 1.00 0.00 O ATOM 607 CB VAL A 46 -7.049 0.883 -1.133 1.00 0.00 C ATOM 608 CG1 VAL A 46 -6.808 -0.476 -1.773 1.00 0.00 C ATOM 609 CG2 VAL A 46 -7.827 1.793 -2.074 1.00 0.00 C ATOM 0 H VAL A 46 -7.253 -1.014 1.241 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.946 1.721 0.640 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.079 1.341 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.284 -0.345 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.203 -1.090 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.764 -0.968 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.288 1.887 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.813 1.367 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.938 2.777 -1.619 1.00 0.00 H new ATOM 619 N ASN A 47 -9.134 -1.243 -0.226 1.00 0.00 N ATOM 620 CA ASN A 47 -10.362 -1.990 -0.469 1.00 0.00 C ATOM 621 C ASN A 47 -10.073 -3.482 -0.611 1.00 0.00 C ATOM 622 O ASN A 47 -10.684 -4.166 -1.430 1.00 0.00 O ATOM 623 CB ASN A 47 -11.060 -1.471 -1.727 1.00 0.00 C ATOM 624 CG ASN A 47 -12.571 -1.544 -1.622 1.00 0.00 C ATOM 625 OD1 ASN A 47 -13.164 -2.613 -1.760 1.00 0.00 O ATOM 626 ND2 ASN A 47 -13.202 -0.401 -1.376 1.00 0.00 N ATOM 0 H ASN A 47 -8.288 -1.813 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.020 -1.846 0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.760 -0.438 -1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.730 -2.052 -2.588 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.219 -0.387 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.670 0.462 -1.269 1.00 0.00 H new ATOM 632 N ASP A 48 -9.136 -3.976 0.191 1.00 0.00 N ATOM 633 CA ASP A 48 -8.767 -5.386 0.154 1.00 0.00 C ATOM 634 C ASP A 48 -8.626 -5.950 1.564 1.00 0.00 C ATOM 635 O ASP A 48 -9.445 -6.755 2.007 1.00 0.00 O ATOM 636 CB ASP A 48 -7.457 -5.571 -0.615 1.00 0.00 C ATOM 637 CG ASP A 48 -7.548 -5.067 -2.042 1.00 0.00 C ATOM 638 OD1 ASP A 48 -8.332 -5.643 -2.826 1.00 0.00 O ATOM 639 OD2 ASP A 48 -6.835 -4.097 -2.376 1.00 0.00 O ATOM 0 H ASP A 48 -8.619 -3.422 0.874 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.561 -5.930 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.657 -5.043 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.189 -6.628 -0.622 1.00 0.00 H new ATOM 643 N ARG A 49 -7.583 -5.519 2.266 1.00 0.00 N ATOM 644 CA ARG A 49 -7.335 -5.980 3.628 1.00 0.00 C ATOM 645 C ARG A 49 -6.465 -4.984 4.388 1.00 0.00 C ATOM 646 O ARG A 49 -6.105 -3.931 3.862 1.00 0.00 O ATOM 647 CB ARG A 49 -6.661 -7.353 3.609 1.00 0.00 C ATOM 648 CG ARG A 49 -7.644 -8.512 3.591 1.00 0.00 C ATOM 649 CD ARG A 49 -6.932 -9.848 3.728 1.00 0.00 C ATOM 650 NE ARG A 49 -5.948 -9.835 4.808 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.265 -9.828 6.101 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.537 -9.834 6.478 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.308 -9.816 7.018 1.00 0.00 N ATOM 0 H ARG A 49 -6.896 -4.852 1.915 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.295 -6.061 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.017 -7.420 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.019 -7.446 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.361 -8.395 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.212 -8.495 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.665 -10.632 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.436 -10.093 2.789 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.960 -9.831 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.277 -9.844 5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.775 -9.829 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.329 -9.812 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.551 -9.811 8.009 1.00 0.00 H new ATOM 664 N GLN A 50 -6.132 -5.323 5.628 1.00 0.00 N ATOM 665 CA GLN A 50 -5.304 -4.460 6.463 1.00 0.00 C ATOM 666 C GLN A 50 -3.944 -5.097 6.724 1.00 0.00 C ATOM 667 O GLN A 50 -3.844 -6.304 6.941 1.00 0.00 O ATOM 668 CB GLN A 50 -6.009 -4.170 7.789 1.00 0.00 C ATOM 669 CG GLN A 50 -7.396 -3.572 7.623 1.00 0.00 C ATOM 670 CD GLN A 50 -7.418 -2.075 7.858 1.00 0.00 C ATOM 671 OE1 GLN A 50 -6.514 -1.520 8.483 1.00 0.00 O ATOM 672 NE2 GLN A 50 -8.454 -1.413 7.357 1.00 0.00 N ATOM 0 H GLN A 50 -6.423 -6.191 6.078 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.148 -3.522 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.088 -5.096 8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.395 -3.486 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.761 -3.783 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.082 -4.055 8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.180 -1.914 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.523 -0.403 7.483 1.00 0.00 H new ATOM 679 N GLY A 51 -2.896 -4.275 6.703 1.00 0.00 N ATOM 680 CA GLY A 51 -1.549 -4.773 6.940 1.00 0.00 C ATOM 681 C GLY A 51 -0.537 -4.187 5.978 1.00 0.00 C ATOM 682 O GLY A 51 -0.883 -3.792 4.864 1.00 0.00 O ATOM 0 H GLY A 51 -2.955 -3.272 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.253 -4.538 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.545 -5.859 6.849 1.00 0.00 H new ATOM 686 N PHE A 52 0.721 -4.127 6.408 1.00 0.00 N ATOM 687 CA PHE A 52 1.788 -3.583 5.575 1.00 0.00 C ATOM 688 C PHE A 52 1.919 -4.367 4.274 1.00 0.00 C ATOM 689 O PHE A 52 1.478 -5.513 4.182 1.00 0.00 O ATOM 690 CB PHE A 52 3.118 -3.600 6.332 1.00 0.00 C ATOM 691 CG PHE A 52 3.374 -4.882 7.074 1.00 0.00 C ATOM 692 CD1 PHE A 52 3.894 -5.986 6.418 1.00 0.00 C ATOM 693 CD2 PHE A 52 3.096 -4.981 8.429 1.00 0.00 C ATOM 694 CE1 PHE A 52 4.131 -7.166 7.098 1.00 0.00 C ATOM 695 CE2 PHE A 52 3.331 -6.158 9.113 1.00 0.00 C ATOM 696 CZ PHE A 52 3.848 -7.252 8.447 1.00 0.00 C ATOM 0 H PHE A 52 1.025 -4.448 7.327 1.00 0.00 H new ATOM 0 HA PHE A 52 1.531 -2.552 5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.930 -3.431 5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.134 -2.771 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.117 -5.924 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.692 -4.129 8.955 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.537 -8.019 6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.111 -6.223 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.031 -8.173 8.980 1.00 0.00 H new ATOM 705 N VAL A 53 2.524 -3.742 3.270 1.00 0.00 N ATOM 706 CA VAL A 53 2.710 -4.379 1.973 1.00 0.00 C ATOM 707 C VAL A 53 3.996 -3.901 1.304 1.00 0.00 C ATOM 708 O VAL A 53 4.327 -2.716 1.358 1.00 0.00 O ATOM 709 CB VAL A 53 1.523 -4.096 1.035 1.00 0.00 C ATOM 710 CG1 VAL A 53 1.639 -4.912 -0.241 1.00 0.00 C ATOM 711 CG2 VAL A 53 0.205 -4.382 1.742 1.00 0.00 C ATOM 0 H VAL A 53 2.894 -2.793 3.330 1.00 0.00 H new ATOM 0 HA VAL A 53 2.775 -5.452 2.154 1.00 0.00 H new ATOM 0 HB VAL A 53 1.544 -3.041 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.790 -4.696 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.564 -4.652 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.647 -5.974 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.624 -4.177 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.175 -5.428 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.119 -3.746 2.623 1.00 0.00 H new ATOM 721 N PRO A 54 4.745 -4.817 0.660 1.00 0.00 N ATOM 722 CA PRO A 54 5.999 -4.474 -0.020 1.00 0.00 C ATOM 723 C PRO A 54 5.821 -3.332 -1.015 1.00 0.00 C ATOM 724 O PRO A 54 5.326 -3.532 -2.124 1.00 0.00 O ATOM 725 CB PRO A 54 6.375 -5.765 -0.753 1.00 0.00 C ATOM 726 CG PRO A 54 5.706 -6.847 0.020 1.00 0.00 C ATOM 727 CD PRO A 54 4.428 -6.252 0.541 1.00 0.00 C ATOM 0 HA PRO A 54 6.760 -4.130 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.032 -5.747 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.456 -5.906 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.505 -7.712 -0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.339 -7.191 0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.596 -6.425 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.146 -6.683 1.502 1.00 0.00 H new ATOM 732 N ALA A 55 6.226 -2.135 -0.609 1.00 0.00 N ATOM 733 CA ALA A 55 6.112 -0.959 -1.464 1.00 0.00 C ATOM 734 C ALA A 55 6.816 -1.180 -2.798 1.00 0.00 C ATOM 735 O ALA A 55 6.303 -0.804 -3.851 1.00 0.00 O ATOM 736 CB ALA A 55 6.685 0.263 -0.760 1.00 0.00 C ATOM 0 H ALA A 55 6.636 -1.953 0.307 1.00 0.00 H new ATOM 0 HA ALA A 55 5.054 -0.788 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.593 1.133 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.136 0.441 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.737 0.091 -0.530 1.00 0.00 H new ATOM 742 N ALA A 56 7.993 -1.794 -2.745 1.00 0.00 N ATOM 743 CA ALA A 56 8.770 -2.067 -3.950 1.00 0.00 C ATOM 744 C ALA A 56 8.955 -0.803 -4.783 1.00 0.00 C ATOM 745 O ALA A 56 8.644 -0.779 -5.975 1.00 0.00 O ATOM 746 CB ALA A 56 8.096 -3.156 -4.774 1.00 0.00 C ATOM 0 H ALA A 56 8.431 -2.112 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 56 9.758 -2.415 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.685 -3.351 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.024 -4.068 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.096 -2.829 -5.060 1.00 0.00 H new ATOM 752 N TYR A 57 9.457 0.249 -4.146 1.00 0.00 N ATOM 753 CA TYR A 57 9.681 1.521 -4.823 1.00 0.00 C ATOM 754 C TYR A 57 8.359 2.111 -5.310 1.00 0.00 C ATOM 755 O TYR A 57 7.651 1.501 -6.112 1.00 0.00 O ATOM 756 CB TYR A 57 10.671 1.337 -5.987 1.00 0.00 C ATOM 757 CG TYR A 57 10.066 1.496 -7.368 1.00 0.00 C ATOM 758 CD1 TYR A 57 9.766 2.754 -7.874 1.00 0.00 C ATOM 759 CD2 TYR A 57 9.799 0.387 -8.163 1.00 0.00 C ATOM 760 CE1 TYR A 57 9.216 2.904 -9.134 1.00 0.00 C ATOM 761 CE2 TYR A 57 9.249 0.529 -9.423 1.00 0.00 C ATOM 762 CZ TYR A 57 8.959 1.788 -9.902 1.00 0.00 C ATOM 763 OH TYR A 57 8.412 1.933 -11.157 1.00 0.00 O ATOM 0 H TYR A 57 9.717 0.246 -3.160 1.00 0.00 H new ATOM 0 HA TYR A 57 10.117 2.224 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 57 11.480 2.059 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.117 0.345 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.965 3.629 -7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.025 -0.601 -7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 57 8.989 3.889 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.048 -0.342 -10.029 1.00 0.00 H new ATOM 0 HH TYR A 57 8.295 1.050 -11.567 1.00 0.00 H new ATOM 772 N VAL A 58 8.030 3.302 -4.817 1.00 0.00 N ATOM 773 CA VAL A 58 6.793 3.971 -5.197 1.00 0.00 C ATOM 774 C VAL A 58 7.061 5.424 -5.598 1.00 0.00 C ATOM 775 O VAL A 58 8.212 5.823 -5.778 1.00 0.00 O ATOM 776 CB VAL A 58 5.753 3.912 -4.050 1.00 0.00 C ATOM 777 CG1 VAL A 58 5.871 5.117 -3.124 1.00 0.00 C ATOM 778 CG2 VAL A 58 4.343 3.792 -4.609 1.00 0.00 C ATOM 0 H VAL A 58 8.604 3.822 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 58 6.382 3.445 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 58 5.964 3.022 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.126 5.041 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.868 5.141 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.704 6.031 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.628 3.752 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.126 4.656 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.264 2.882 -5.204 1.00 0.00 H new ATOM 788 N LYS A 59 5.996 6.209 -5.739 1.00 0.00 N ATOM 789 CA LYS A 59 6.122 7.614 -6.120 1.00 0.00 C ATOM 790 C LYS A 59 7.149 8.331 -5.247 1.00 0.00 C ATOM 791 O LYS A 59 8.277 8.579 -5.675 1.00 0.00 O ATOM 792 CB LYS A 59 4.767 8.315 -6.016 1.00 0.00 C ATOM 793 CG LYS A 59 3.985 8.323 -7.321 1.00 0.00 C ATOM 794 CD LYS A 59 3.232 7.019 -7.529 1.00 0.00 C ATOM 795 CE LYS A 59 3.365 6.521 -8.959 1.00 0.00 C ATOM 796 NZ LYS A 59 2.708 7.438 -9.931 1.00 0.00 N ATOM 0 H LYS A 59 5.036 5.896 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 59 6.466 7.652 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.171 7.823 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.923 9.343 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.280 9.155 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.668 8.486 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.614 6.263 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.179 7.164 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.421 6.421 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.922 5.528 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.278 6.882 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.970 7.987 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.416 8.086 -10.330 1.00 0.00 H new ATOM 806 N LYS A 60 6.753 8.663 -4.021 1.00 0.00 N ATOM 807 CA LYS A 60 7.642 9.351 -3.091 1.00 0.00 C ATOM 808 C LYS A 60 6.961 9.562 -1.742 1.00 0.00 C ATOM 809 O LYS A 60 7.314 8.919 -0.752 1.00 0.00 O ATOM 810 CB LYS A 60 8.081 10.697 -3.673 1.00 0.00 C ATOM 811 CG LYS A 60 9.577 10.945 -3.569 1.00 0.00 C ATOM 812 CD LYS A 60 10.053 10.891 -2.127 1.00 0.00 C ATOM 813 CE LYS A 60 11.412 10.219 -2.013 1.00 0.00 C ATOM 814 NZ LYS A 60 12.212 10.770 -0.887 1.00 0.00 N ATOM 0 H LYS A 60 5.824 8.467 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 60 8.522 8.726 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.785 10.744 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.552 11.497 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.112 10.200 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.816 11.919 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.111 11.902 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.326 10.348 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.276 9.147 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.961 10.350 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.131 10.285 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.364 11.788 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.701 10.623 0.007 1.00 0.00 H new ATOM 824 N LEU A 61 5.988 10.465 -1.710 1.00 0.00 N ATOM 825 CA LEU A 61 5.258 10.760 -0.482 1.00 0.00 C ATOM 826 C LEU A 61 6.198 11.303 0.590 1.00 0.00 C ATOM 827 O LEU A 61 6.897 10.543 1.258 1.00 0.00 O ATOM 828 CB LEU A 61 4.551 9.505 0.032 1.00 0.00 C ATOM 829 CG LEU A 61 3.589 9.736 1.198 1.00 0.00 C ATOM 830 CD1 LEU A 61 2.204 10.100 0.685 1.00 0.00 C ATOM 831 CD2 LEU A 61 3.523 8.502 2.086 1.00 0.00 C ATOM 0 H LEU A 61 5.686 11.006 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 61 4.511 11.521 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.997 9.055 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.306 8.782 0.341 1.00 0.00 H new ATOM 0 HG LEU A 61 3.963 10.569 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.534 10.260 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.264 11.012 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.820 9.289 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.834 8.684 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.173 7.651 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.515 8.286 2.483 1.00 0.00 H new ATOM 842 N ASP A 62 6.206 12.622 0.750 1.00 0.00 N ATOM 843 CA ASP A 62 7.059 13.268 1.740 1.00 0.00 C ATOM 844 C ASP A 62 6.290 14.341 2.505 1.00 0.00 C ATOM 845 O ASP A 62 6.943 15.224 3.101 1.00 0.00 O ATOM 846 CB ASP A 62 8.286 13.884 1.066 1.00 0.00 C ATOM 847 CG ASP A 62 7.911 14.895 0.000 1.00 0.00 C ATOM 848 OD1 ASP A 62 7.465 14.475 -1.089 1.00 0.00 O ATOM 849 OD2 ASP A 62 8.064 16.109 0.253 1.00 0.00 O ATOM 0 H ASP A 62 5.631 13.265 0.206 1.00 0.00 H new ATOM 0 HA ASP A 62 7.388 12.508 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.907 14.368 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.887 13.093 0.618 1.00 0.00 H new TER 853 ASP A 62