USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 63 TYR OH : rot 30:sc= -0.766 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.8 USER MOD Set 2.1: A 52 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot -110:sc=-0.00282 USER MOD Set 3.1: A 11 GLN : amide:sc= -0.591 X(o=-1.3,f=-1.2) USER MOD Set 3.2: A 93 SER OG : rot -139:sc= -0.66 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 0.00775 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 165:sc= -1.32 (180deg=-1.52) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= 0.648 (180deg=-0.0292) USER MOD Single : A 19 GLN : amide:sc= 0.649 K(o=0.65,f=-0.018) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.388 K(o=-0.39,f=-4.3!) USER MOD Single : A 35 THR OG1 : rot -141:sc= 0.0374 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0407) USER MOD Single : A 46 ASN : amide:sc= -0.956 K(o=-0.96,f=-2.5!) USER MOD Single : A 47 ASN : amide:sc= -1.23 K(o=-1.2,f=-9.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 144:sc= -0.273 (180deg=-1.35) USER MOD Single : A 62 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.91) USER MOD Single : A 80 MET CE :methyl 161:sc= -2.93 (180deg=-4.65!) USER MOD Single : A 82 TYR OH : rot -179:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -3.51! C(o=-3.5!,f=-7.8!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -35:sc= 0.0395! USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.225 10.977 10.066 1.00 0.00 N ATOM 2 CA GLY A 1 17.649 11.534 11.380 1.00 0.00 C ATOM 3 C GLY A 1 16.675 11.202 12.493 1.00 0.00 C ATOM 4 O GLY A 1 17.012 10.473 13.426 1.00 0.00 O ATOM 0 H1 GLY A 1 17.924 11.232 9.339 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.157 9.941 10.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.297 11.368 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.634 11.144 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.746 12.617 11.298 1.00 0.00 H new ATOM 10 N SER A 2 15.462 11.736 12.393 1.00 0.00 N ATOM 11 CA SER A 2 14.435 11.493 13.399 1.00 0.00 C ATOM 12 C SER A 2 13.044 11.512 12.772 1.00 0.00 C ATOM 13 O SER A 2 12.228 10.625 13.021 1.00 0.00 O ATOM 14 CB SER A 2 14.523 12.541 14.511 1.00 0.00 C ATOM 15 OG SER A 2 14.440 11.937 15.790 1.00 0.00 O ATOM 0 H SER A 2 15.166 12.340 11.626 1.00 0.00 H new ATOM 0 HA SER A 2 14.606 10.505 13.827 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.461 13.089 14.425 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.718 13.267 14.395 1.00 0.00 H new ATOM 0 HG SER A 2 14.500 12.628 16.483 1.00 0.00 H new ATOM 21 N SER A 3 12.782 12.529 11.958 1.00 0.00 N ATOM 22 CA SER A 3 11.490 12.665 11.295 1.00 0.00 C ATOM 23 C SER A 3 11.207 11.460 10.403 1.00 0.00 C ATOM 24 O SER A 3 12.068 11.024 9.639 1.00 0.00 O ATOM 25 CB SER A 3 11.451 13.948 10.465 1.00 0.00 C ATOM 26 OG SER A 3 12.567 14.029 9.596 1.00 0.00 O ATOM 0 H SER A 3 13.447 13.271 11.741 1.00 0.00 H new ATOM 0 HA SER A 3 10.719 12.715 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.530 13.980 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.439 14.813 11.128 1.00 0.00 H new ATOM 0 HG SER A 3 12.806 13.131 9.285 1.00 0.00 H new ATOM 32 N GLY A 4 9.994 10.926 10.506 1.00 0.00 N ATOM 33 CA GLY A 4 9.618 9.777 9.702 1.00 0.00 C ATOM 34 C GLY A 4 8.279 9.962 9.016 1.00 0.00 C ATOM 35 O GLY A 4 7.377 9.138 9.166 1.00 0.00 O ATOM 0 H GLY A 4 9.265 11.268 11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.386 9.597 8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.579 8.891 10.336 1.00 0.00 H new ATOM 39 N SER A 5 8.149 11.048 8.261 1.00 0.00 N ATOM 40 CA SER A 5 6.910 11.340 7.549 1.00 0.00 C ATOM 41 C SER A 5 7.156 11.445 6.047 1.00 0.00 C ATOM 42 O SER A 5 7.871 12.334 5.586 1.00 0.00 O ATOM 43 CB SER A 5 6.294 12.641 8.067 1.00 0.00 C ATOM 44 OG SER A 5 5.455 12.400 9.184 1.00 0.00 O ATOM 0 H SER A 5 8.886 11.740 8.126 1.00 0.00 H new ATOM 0 HA SER A 5 6.216 10.519 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.086 13.336 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.719 13.116 7.272 1.00 0.00 H new ATOM 0 HG SER A 5 5.075 13.248 9.497 1.00 0.00 H new ATOM 50 N SER A 6 6.562 10.528 5.291 1.00 0.00 N ATOM 51 CA SER A 6 6.716 10.516 3.840 1.00 0.00 C ATOM 52 C SER A 6 5.598 9.716 3.180 1.00 0.00 C ATOM 53 O SER A 6 5.063 8.777 3.769 1.00 0.00 O ATOM 54 CB SER A 6 8.076 9.928 3.457 1.00 0.00 C ATOM 55 OG SER A 6 8.269 9.962 2.054 1.00 0.00 O ATOM 0 H SER A 6 5.970 9.783 5.658 1.00 0.00 H new ATOM 0 HA SER A 6 6.659 11.545 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.870 10.489 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.144 8.900 3.812 1.00 0.00 H new ATOM 0 HG SER A 6 9.146 9.582 1.835 1.00 0.00 H new ATOM 61 N GLY A 7 5.252 10.093 1.955 1.00 0.00 N ATOM 62 CA GLY A 7 4.199 9.401 1.235 1.00 0.00 C ATOM 63 C GLY A 7 2.815 9.874 1.634 1.00 0.00 C ATOM 64 O GLY A 7 2.675 10.843 2.378 1.00 0.00 O ATOM 0 H GLY A 7 5.682 10.866 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.336 9.551 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.281 8.330 1.419 1.00 0.00 H new ATOM 68 N ASP A 8 1.792 9.187 1.138 1.00 0.00 N ATOM 69 CA ASP A 8 0.411 9.542 1.447 1.00 0.00 C ATOM 70 C ASP A 8 -0.381 8.314 1.885 1.00 0.00 C ATOM 71 O ASP A 8 -1.452 8.028 1.351 1.00 0.00 O ATOM 72 CB ASP A 8 -0.254 10.189 0.231 1.00 0.00 C ATOM 73 CG ASP A 8 0.342 11.543 -0.103 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.582 11.679 -0.033 1.00 0.00 O ATOM 75 OD2 ASP A 8 -0.431 12.466 -0.435 1.00 0.00 O ATOM 0 H ASP A 8 1.892 8.381 0.520 1.00 0.00 H new ATOM 0 HA ASP A 8 0.419 10.257 2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.152 9.528 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.321 10.302 0.421 1.00 0.00 H new ATOM 80 N MET A 9 0.155 7.590 2.863 1.00 0.00 N ATOM 81 CA MET A 9 -0.501 6.391 3.374 1.00 0.00 C ATOM 82 C MET A 9 -1.251 6.690 4.668 1.00 0.00 C ATOM 83 O MET A 9 -2.269 6.066 4.965 1.00 0.00 O ATOM 84 CB MET A 9 0.529 5.282 3.607 1.00 0.00 C ATOM 85 CG MET A 9 0.429 4.140 2.609 1.00 0.00 C ATOM 86 SD MET A 9 -0.527 2.748 3.240 1.00 0.00 S ATOM 87 CE MET A 9 -0.754 1.788 1.746 1.00 0.00 C ATOM 0 H MET A 9 1.041 7.812 3.317 1.00 0.00 H new ATOM 0 HA MET A 9 -1.223 6.055 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.530 5.711 3.557 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.402 4.885 4.614 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.031 4.505 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.432 3.800 2.351 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.087 0.783 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.504 2.267 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.190 1.729 1.205 1.00 0.00 H new ATOM 97 N LYS A 10 -0.741 7.649 5.435 1.00 0.00 N ATOM 98 CA LYS A 10 -1.364 8.030 6.698 1.00 0.00 C ATOM 99 C LYS A 10 -2.802 8.488 6.482 1.00 0.00 C ATOM 100 O LYS A 10 -3.664 8.283 7.336 1.00 0.00 O ATOM 101 CB LYS A 10 -0.559 9.143 7.373 1.00 0.00 C ATOM 102 CG LYS A 10 0.814 8.698 7.852 1.00 0.00 C ATOM 103 CD LYS A 10 1.919 9.217 6.946 1.00 0.00 C ATOM 104 CE LYS A 10 2.373 10.607 7.359 1.00 0.00 C ATOM 105 NZ LYS A 10 2.573 11.499 6.184 1.00 0.00 N ATOM 0 H LYS A 10 0.101 8.176 5.204 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.375 7.153 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.440 9.969 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.125 9.525 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.979 9.055 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.853 7.609 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.767 8.533 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.565 9.240 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.632 11.047 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.304 10.533 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.882 12.437 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.298 11.093 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.678 11.591 5.662 1.00 0.00 H new ATOM 119 N GLN A 11 -3.054 9.107 5.333 1.00 0.00 N ATOM 120 CA GLN A 11 -4.389 9.593 5.004 1.00 0.00 C ATOM 121 C GLN A 11 -5.395 8.446 4.976 1.00 0.00 C ATOM 122 O GLN A 11 -6.573 8.633 5.281 1.00 0.00 O ATOM 123 CB GLN A 11 -4.375 10.308 3.651 1.00 0.00 C ATOM 124 CG GLN A 11 -3.779 9.474 2.529 1.00 0.00 C ATOM 125 CD GLN A 11 -3.912 10.140 1.173 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.315 9.509 0.197 1.00 0.00 O ATOM 127 NE2 GLN A 11 -3.574 11.422 1.108 1.00 0.00 N ATOM 0 H GLN A 11 -2.352 9.284 4.615 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.692 10.299 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.395 10.584 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.808 11.234 3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.725 9.291 2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.272 8.502 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.245 11.906 1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.644 11.924 0.223 1.00 0.00 H new ATOM 136 N LEU A 12 -4.924 7.260 4.608 1.00 0.00 N ATOM 137 CA LEU A 12 -5.782 6.083 4.541 1.00 0.00 C ATOM 138 C LEU A 12 -6.166 5.609 5.938 1.00 0.00 C ATOM 139 O LEU A 12 -5.347 5.626 6.858 1.00 0.00 O ATOM 140 CB LEU A 12 -5.079 4.956 3.782 1.00 0.00 C ATOM 141 CG LEU A 12 -5.251 4.993 2.262 1.00 0.00 C ATOM 142 CD1 LEU A 12 -4.111 4.256 1.578 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.592 4.393 1.864 1.00 0.00 C ATOM 0 H LEU A 12 -3.952 7.088 4.351 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.692 6.358 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.014 4.992 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.453 4.001 4.152 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.229 6.033 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.250 4.293 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.164 4.729 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.100 3.217 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.698 4.427 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.642 3.358 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.398 4.964 2.326 1.00 0.00 H new ATOM 155 N ALA A 13 -7.416 5.186 6.092 1.00 0.00 N ATOM 156 CA ALA A 13 -7.909 4.707 7.377 1.00 0.00 C ATOM 157 C ALA A 13 -7.570 3.235 7.580 1.00 0.00 C ATOM 158 O ALA A 13 -7.418 2.483 6.617 1.00 0.00 O ATOM 159 CB ALA A 13 -9.412 4.923 7.480 1.00 0.00 C ATOM 0 H ALA A 13 -8.107 5.165 5.342 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.416 5.279 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.766 4.561 8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.634 5.986 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.914 4.377 6.681 1.00 0.00 H new ATOM 165 N GLU A 14 -7.453 2.829 8.841 1.00 0.00 N ATOM 166 CA GLU A 14 -7.132 1.444 9.171 1.00 0.00 C ATOM 167 C GLU A 14 -8.178 0.493 8.596 1.00 0.00 C ATOM 168 O GLU A 14 -7.865 -0.640 8.226 1.00 0.00 O ATOM 169 CB GLU A 14 -7.043 1.267 10.688 1.00 0.00 C ATOM 170 CG GLU A 14 -8.361 1.506 11.408 1.00 0.00 C ATOM 171 CD GLU A 14 -8.173 2.138 12.773 1.00 0.00 C ATOM 172 OE1 GLU A 14 -7.731 3.304 12.832 1.00 0.00 O ATOM 173 OE2 GLU A 14 -8.467 1.466 13.783 1.00 0.00 O ATOM 0 H GLU A 14 -7.575 3.438 9.650 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.166 1.204 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.697 0.257 10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.294 1.954 11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.993 2.151 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.887 0.558 11.520 1.00 0.00 H new ATOM 180 N ASP A 15 -9.419 0.962 8.524 1.00 0.00 N ATOM 181 CA ASP A 15 -10.512 0.154 7.995 1.00 0.00 C ATOM 182 C ASP A 15 -10.269 -0.193 6.529 1.00 0.00 C ATOM 183 O ASP A 15 -10.678 -1.253 6.056 1.00 0.00 O ATOM 184 CB ASP A 15 -11.841 0.896 8.141 1.00 0.00 C ATOM 185 CG ASP A 15 -12.153 1.243 9.584 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.356 1.977 10.205 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.196 0.780 10.093 1.00 0.00 O ATOM 0 H ASP A 15 -9.693 1.897 8.825 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.557 -0.772 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.811 1.810 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.644 0.280 7.736 1.00 0.00 H new ATOM 192 N VAL A 16 -9.600 0.707 5.816 1.00 0.00 N ATOM 193 CA VAL A 16 -9.302 0.496 4.405 1.00 0.00 C ATOM 194 C VAL A 16 -8.280 -0.620 4.220 1.00 0.00 C ATOM 195 O VAL A 16 -8.452 -1.501 3.379 1.00 0.00 O ATOM 196 CB VAL A 16 -8.768 1.780 3.744 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.677 1.607 2.235 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.646 2.971 4.098 1.00 0.00 C ATOM 0 H VAL A 16 -9.254 1.590 6.193 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.238 0.212 3.924 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.765 1.971 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.298 2.525 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.002 0.783 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.667 1.389 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.252 3.868 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.662 2.791 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.654 3.108 5.179 1.00 0.00 H new ATOM 208 N LYS A 17 -7.216 -0.576 5.016 1.00 0.00 N ATOM 209 CA LYS A 17 -6.164 -1.584 4.942 1.00 0.00 C ATOM 210 C LYS A 17 -6.592 -2.874 5.634 1.00 0.00 C ATOM 211 O LYS A 17 -6.108 -3.957 5.303 1.00 0.00 O ATOM 212 CB LYS A 17 -4.878 -1.055 5.578 1.00 0.00 C ATOM 213 CG LYS A 17 -4.325 0.185 4.892 1.00 0.00 C ATOM 214 CD LYS A 17 -4.683 1.450 5.654 1.00 0.00 C ATOM 215 CE LYS A 17 -3.726 2.586 5.331 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.417 2.421 6.022 1.00 0.00 N ATOM 0 H LYS A 17 -7.060 0.146 5.719 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.980 -1.802 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.069 -0.826 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.122 -1.840 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.241 0.103 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.718 0.247 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.701 1.749 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.662 1.249 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.565 2.630 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.175 3.534 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.309 3.163 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.381 1.487 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.646 2.497 5.328 1.00 0.00 H new ATOM 230 N LEU A 18 -7.503 -2.753 6.597 1.00 0.00 N ATOM 231 CA LEU A 18 -7.995 -3.911 7.335 1.00 0.00 C ATOM 232 C LEU A 18 -8.574 -4.959 6.390 1.00 0.00 C ATOM 233 O LEU A 18 -8.511 -6.157 6.661 1.00 0.00 O ATOM 234 CB LEU A 18 -9.055 -3.481 8.350 1.00 0.00 C ATOM 235 CG LEU A 18 -8.517 -3.103 9.731 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.567 -2.342 10.524 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.073 -4.348 10.486 1.00 0.00 C ATOM 0 H LEU A 18 -7.914 -1.865 6.883 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.152 -4.356 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.600 -2.629 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.774 -4.292 8.467 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.652 -2.453 9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.166 -2.082 11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.838 -1.432 9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.452 -2.966 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.693 -4.062 11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.921 -5.022 10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.287 -4.853 9.925 1.00 0.00 H new ATOM 249 N GLN A 19 -9.139 -4.498 5.278 1.00 0.00 N ATOM 250 CA GLN A 19 -9.731 -5.396 4.293 1.00 0.00 C ATOM 251 C GLN A 19 -8.653 -6.058 3.439 1.00 0.00 C ATOM 252 O GLN A 19 -8.819 -7.187 2.978 1.00 0.00 O ATOM 253 CB GLN A 19 -10.706 -4.630 3.396 1.00 0.00 C ATOM 254 CG GLN A 19 -11.757 -3.848 4.168 1.00 0.00 C ATOM 255 CD GLN A 19 -12.386 -2.745 3.340 1.00 0.00 C ATOM 256 OE1 GLN A 19 -12.724 -2.944 2.174 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.547 -1.572 3.942 1.00 0.00 N ATOM 0 H GLN A 19 -9.199 -3.509 5.037 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.273 -6.175 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.143 -3.941 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.205 -5.335 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.535 -4.531 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.301 -3.414 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.252 -1.451 4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.966 -0.792 3.435 1.00 0.00 H new ATOM 266 N LEU A 20 -7.549 -5.346 3.234 1.00 0.00 N ATOM 267 CA LEU A 20 -6.444 -5.865 2.435 1.00 0.00 C ATOM 268 C LEU A 20 -5.871 -7.137 3.054 1.00 0.00 C ATOM 269 O LEU A 20 -5.369 -8.010 2.346 1.00 0.00 O ATOM 270 CB LEU A 20 -5.345 -4.809 2.302 1.00 0.00 C ATOM 271 CG LEU A 20 -5.555 -3.794 1.177 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.747 -2.533 1.437 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.180 -4.403 -0.166 1.00 0.00 C ATOM 0 H LEU A 20 -7.396 -4.410 3.609 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.829 -6.108 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.264 -4.270 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.393 -5.315 2.141 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.611 -3.524 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.909 -1.823 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.063 -2.086 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.688 -2.784 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.335 -3.667 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.132 -4.702 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.804 -5.276 -0.356 1.00 0.00 H new ATOM 285 N TYR A 21 -5.948 -7.234 4.376 1.00 0.00 N ATOM 286 CA TYR A 21 -5.436 -8.400 5.087 1.00 0.00 C ATOM 287 C TYR A 21 -6.237 -9.650 4.736 1.00 0.00 C ATOM 288 O TYR A 21 -5.705 -10.760 4.738 1.00 0.00 O ATOM 289 CB TYR A 21 -5.478 -8.161 6.599 1.00 0.00 C ATOM 290 CG TYR A 21 -4.826 -6.866 7.030 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.651 -6.425 6.434 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.386 -6.086 8.034 1.00 0.00 C ATOM 293 CE1 TYR A 21 -3.052 -5.243 6.826 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.793 -4.903 8.430 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.628 -4.486 7.824 1.00 0.00 C ATOM 296 OH TYR A 21 -3.035 -3.309 8.218 1.00 0.00 O ATOM 0 H TYR A 21 -6.360 -6.520 4.977 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.402 -8.556 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.517 -8.161 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.983 -8.991 7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.198 -7.016 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.299 -6.409 8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.138 -4.914 6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.241 -4.307 9.212 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.567 -2.897 8.930 1.00 0.00 H new ATOM 306 N LYS A 22 -7.518 -9.463 4.435 1.00 0.00 N ATOM 307 CA LYS A 22 -8.391 -10.575 4.083 1.00 0.00 C ATOM 308 C LYS A 22 -8.109 -11.065 2.666 1.00 0.00 C ATOM 309 O LYS A 22 -8.104 -12.267 2.403 1.00 0.00 O ATOM 310 CB LYS A 22 -9.858 -10.160 4.208 1.00 0.00 C ATOM 311 CG LYS A 22 -10.294 -9.889 5.640 1.00 0.00 C ATOM 312 CD LYS A 22 -10.553 -8.410 5.876 1.00 0.00 C ATOM 313 CE LYS A 22 -11.078 -8.153 7.280 1.00 0.00 C ATOM 314 NZ LYS A 22 -12.535 -8.439 7.389 1.00 0.00 N ATOM 0 H LYS A 22 -7.974 -8.551 4.428 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.191 -11.392 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.026 -9.264 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.486 -10.946 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.198 -10.457 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.524 -10.238 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.631 -7.849 5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.274 -8.044 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.532 -8.773 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.890 -7.115 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.854 -8.251 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.059 -7.829 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.712 -9.436 7.153 1.00 0.00 H new ATOM 328 N LEU A 23 -7.876 -10.123 1.757 1.00 0.00 N ATOM 329 CA LEU A 23 -7.594 -10.457 0.365 1.00 0.00 C ATOM 330 C LEU A 23 -6.268 -11.201 0.241 1.00 0.00 C ATOM 331 O LEU A 23 -6.216 -12.310 -0.293 1.00 0.00 O ATOM 332 CB LEU A 23 -7.562 -9.189 -0.489 1.00 0.00 C ATOM 333 CG LEU A 23 -8.832 -8.338 -0.432 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.492 -6.858 -0.534 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.795 -8.744 -1.538 1.00 0.00 C ATOM 0 H LEU A 23 -7.877 -9.123 1.959 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.390 -11.109 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.718 -8.577 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.379 -9.472 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.318 -8.511 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.409 -6.270 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.842 -6.576 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.982 -6.666 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.693 -8.129 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.317 -8.602 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.066 -9.793 -1.418 1.00 0.00 H new ATOM 347 N LEU A 24 -5.200 -10.585 0.735 1.00 0.00 N ATOM 348 CA LEU A 24 -3.872 -11.189 0.679 1.00 0.00 C ATOM 349 C LEU A 24 -3.855 -12.542 1.385 1.00 0.00 C ATOM 350 O LEU A 24 -3.043 -13.410 1.063 1.00 0.00 O ATOM 351 CB LEU A 24 -2.839 -10.256 1.312 1.00 0.00 C ATOM 352 CG LEU A 24 -2.730 -8.875 0.665 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.078 -7.887 1.620 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.945 -8.958 -0.636 1.00 0.00 C ATOM 0 H LEU A 24 -5.227 -9.667 1.179 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.617 -11.346 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.086 -10.128 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.862 -10.738 1.269 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.736 -8.520 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.009 -6.910 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.679 -7.806 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.078 -8.236 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.877 -7.967 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.942 -9.334 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.453 -9.633 -1.325 1.00 0.00 H new ATOM 366 N GLU A 25 -4.752 -12.714 2.351 1.00 0.00 N ATOM 367 CA GLU A 25 -4.837 -13.963 3.103 1.00 0.00 C ATOM 368 C GLU A 25 -5.057 -15.154 2.174 1.00 0.00 C ATOM 369 O GLU A 25 -4.695 -16.283 2.502 1.00 0.00 O ATOM 370 CB GLU A 25 -5.969 -13.885 4.131 1.00 0.00 C ATOM 371 CG GLU A 25 -5.567 -14.366 5.516 1.00 0.00 C ATOM 372 CD GLU A 25 -6.610 -15.271 6.144 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.635 -14.747 6.630 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.401 -16.502 6.150 1.00 0.00 O ATOM 0 H GLU A 25 -5.430 -12.006 2.632 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.890 -14.108 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.316 -12.854 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.811 -14.481 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.619 -14.901 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.402 -13.504 6.163 1.00 0.00 H new ATOM 381 N ILE A 26 -5.651 -14.895 1.013 1.00 0.00 N ATOM 382 CA ILE A 26 -5.918 -15.949 0.041 1.00 0.00 C ATOM 383 C ILE A 26 -4.616 -16.594 -0.438 1.00 0.00 C ATOM 384 O ILE A 26 -3.780 -15.933 -1.053 1.00 0.00 O ATOM 385 CB ILE A 26 -6.689 -15.406 -1.180 1.00 0.00 C ATOM 386 CG1 ILE A 26 -7.953 -14.670 -0.728 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.045 -16.537 -2.135 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.402 -13.593 -1.689 1.00 0.00 C ATOM 0 H ILE A 26 -5.956 -13.966 0.723 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.531 -16.698 0.543 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.046 -14.701 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.759 -15.393 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.773 -14.221 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.588 -16.134 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.132 -17.022 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.670 -17.266 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.303 -13.114 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.613 -12.849 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.615 -14.038 -2.661 1.00 0.00 H new ATOM 400 N PRO A 27 -4.424 -17.898 -0.162 1.00 0.00 N ATOM 401 CA PRO A 27 -3.216 -18.619 -0.572 1.00 0.00 C ATOM 402 C PRO A 27 -3.195 -18.911 -2.069 1.00 0.00 C ATOM 403 O PRO A 27 -3.179 -20.069 -2.487 1.00 0.00 O ATOM 404 CB PRO A 27 -3.297 -19.920 0.227 1.00 0.00 C ATOM 405 CG PRO A 27 -4.754 -20.139 0.438 1.00 0.00 C ATOM 406 CD PRO A 27 -5.367 -18.770 0.568 1.00 0.00 C ATOM 0 HA PRO A 27 -2.311 -18.042 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.846 -20.749 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.767 -19.837 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.191 -20.684 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.933 -20.733 1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.366 -18.735 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.464 -18.471 1.612 1.00 0.00 H new ATOM 414 N ASP A 28 -3.198 -17.852 -2.873 1.00 0.00 N ATOM 415 CA ASP A 28 -3.181 -17.994 -4.324 1.00 0.00 C ATOM 416 C ASP A 28 -1.881 -17.449 -4.910 1.00 0.00 C ATOM 417 O ASP A 28 -1.249 -16.568 -4.327 1.00 0.00 O ATOM 418 CB ASP A 28 -4.377 -17.269 -4.942 1.00 0.00 C ATOM 419 CG ASP A 28 -5.563 -18.189 -5.157 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.491 -19.048 -6.061 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.563 -18.050 -4.421 1.00 0.00 O ATOM 0 H ASP A 28 -3.212 -16.887 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.247 -19.056 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.673 -16.444 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.081 -16.833 -5.896 1.00 0.00 H new ATOM 426 N PRO A 29 -1.464 -17.968 -6.078 1.00 0.00 N ATOM 427 CA PRO A 29 -0.232 -17.526 -6.742 1.00 0.00 C ATOM 428 C PRO A 29 -0.315 -16.081 -7.221 1.00 0.00 C ATOM 429 O PRO A 29 0.702 -15.403 -7.357 1.00 0.00 O ATOM 430 CB PRO A 29 -0.105 -18.480 -7.935 1.00 0.00 C ATOM 431 CG PRO A 29 -1.490 -18.965 -8.186 1.00 0.00 C ATOM 432 CD PRO A 29 -2.156 -19.020 -6.841 1.00 0.00 C ATOM 0 HA PRO A 29 0.623 -17.552 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.299 -17.969 -8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.569 -19.307 -7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.023 -18.293 -8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.480 -19.948 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.226 -18.826 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.040 -19.998 -6.374 1.00 0.00 H new ATOM 440 N ASP A 30 -1.534 -15.616 -7.476 1.00 0.00 N ATOM 441 CA ASP A 30 -1.748 -14.249 -7.940 1.00 0.00 C ATOM 442 C ASP A 30 -2.727 -13.512 -7.032 1.00 0.00 C ATOM 443 O ASP A 30 -3.457 -12.626 -7.479 1.00 0.00 O ATOM 444 CB ASP A 30 -2.272 -14.253 -9.377 1.00 0.00 C ATOM 445 CG ASP A 30 -1.464 -15.158 -10.285 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.432 -16.381 -10.030 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.863 -14.645 -11.253 1.00 0.00 O ATOM 0 H ASP A 30 -2.387 -16.164 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.791 -13.728 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.313 -14.576 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.252 -13.237 -9.771 1.00 0.00 H new ATOM 452 N LYS A 31 -2.737 -13.882 -5.755 1.00 0.00 N ATOM 453 CA LYS A 31 -3.628 -13.254 -4.786 1.00 0.00 C ATOM 454 C LYS A 31 -3.174 -13.548 -3.358 1.00 0.00 C ATOM 455 O LYS A 31 -3.993 -13.787 -2.472 1.00 0.00 O ATOM 456 CB LYS A 31 -5.064 -13.741 -4.991 1.00 0.00 C ATOM 457 CG LYS A 31 -5.881 -12.852 -5.916 1.00 0.00 C ATOM 458 CD LYS A 31 -7.371 -13.116 -5.767 1.00 0.00 C ATOM 459 CE LYS A 31 -8.134 -12.730 -7.024 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.416 -12.042 -6.706 1.00 0.00 N ATOM 0 H LYS A 31 -2.139 -14.612 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.593 -12.176 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.042 -14.752 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.561 -13.798 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.672 -11.805 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.581 -13.026 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.535 -14.172 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.758 -12.553 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.514 -12.077 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.338 -13.624 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.906 -11.795 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.018 -12.674 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.220 -11.176 -6.165 1.00 0.00 H new ATOM 474 N ASN A 32 -1.862 -13.528 -3.145 1.00 0.00 N ATOM 475 CA ASN A 32 -1.299 -13.792 -1.826 1.00 0.00 C ATOM 476 C ASN A 32 -0.474 -12.604 -1.340 1.00 0.00 C ATOM 477 O ASN A 32 -0.060 -11.757 -2.131 1.00 0.00 O ATOM 478 CB ASN A 32 -0.431 -15.052 -1.861 1.00 0.00 C ATOM 479 CG ASN A 32 0.130 -15.407 -0.497 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.343 -15.381 -0.287 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.752 -15.742 0.437 1.00 0.00 N ATOM 0 H ASN A 32 -1.170 -13.332 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.124 -13.948 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.023 -15.887 -2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.391 -14.904 -2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.433 -15.991 1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.748 -15.750 0.218 1.00 0.00 H new ATOM 488 N TRP A 33 -0.239 -12.550 -0.033 1.00 0.00 N ATOM 489 CA TRP A 33 0.538 -11.467 0.560 1.00 0.00 C ATOM 490 C TRP A 33 1.967 -11.469 0.030 1.00 0.00 C ATOM 491 O TRP A 33 2.535 -10.416 -0.259 1.00 0.00 O ATOM 492 CB TRP A 33 0.545 -11.591 2.085 1.00 0.00 C ATOM 493 CG TRP A 33 1.096 -12.896 2.572 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.390 -14.032 2.848 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.469 -13.201 2.839 1.00 0.00 C ATOM 496 NE1 TRP A 33 1.241 -15.023 3.273 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.522 -14.538 3.276 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.659 -12.472 2.754 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.718 -15.161 3.625 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.845 -13.092 3.100 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.868 -14.425 3.530 1.00 0.00 C ATOM 0 H TRP A 33 -0.575 -13.243 0.636 1.00 0.00 H new ATOM 0 HA TRP A 33 0.069 -10.523 0.282 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.134 -10.776 2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.473 -11.473 2.457 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.680 -14.136 2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.964 -15.967 3.543 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.652 -11.444 2.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.737 -16.188 3.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.770 -12.539 3.038 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.812 -14.881 3.792 1.00 0.00 H new ATOM 512 N ALA A 34 2.545 -12.660 -0.095 1.00 0.00 N ATOM 513 CA ALA A 34 3.909 -12.800 -0.590 1.00 0.00 C ATOM 514 C ALA A 34 4.047 -12.219 -1.993 1.00 0.00 C ATOM 515 O ALA A 34 5.107 -11.716 -2.366 1.00 0.00 O ATOM 516 CB ALA A 34 4.325 -14.264 -0.579 1.00 0.00 C ATOM 0 H ALA A 34 2.089 -13.542 0.140 1.00 0.00 H new ATOM 0 HA ALA A 34 4.569 -12.240 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.346 -14.355 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.274 -14.649 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.654 -14.838 -1.218 1.00 0.00 H new ATOM 522 N THR A 35 2.969 -12.293 -2.767 1.00 0.00 N ATOM 523 CA THR A 35 2.970 -11.775 -4.130 1.00 0.00 C ATOM 524 C THR A 35 2.996 -10.250 -4.134 1.00 0.00 C ATOM 525 O THR A 35 3.658 -9.632 -4.968 1.00 0.00 O ATOM 526 CB THR A 35 1.740 -12.277 -4.888 1.00 0.00 C ATOM 527 OG1 THR A 35 1.601 -13.679 -4.745 1.00 0.00 O ATOM 528 CG2 THR A 35 1.783 -11.968 -6.369 1.00 0.00 C ATOM 0 H THR A 35 2.084 -12.707 -2.474 1.00 0.00 H new ATOM 0 HA THR A 35 3.870 -12.136 -4.628 1.00 0.00 H new ATOM 0 HB THR A 35 0.894 -11.750 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.296 -14.066 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.881 -12.351 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.840 -10.889 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.658 -12.441 -6.814 1.00 0.00 H new ATOM 536 N LEU A 36 2.270 -9.648 -3.196 1.00 0.00 N ATOM 537 CA LEU A 36 2.210 -8.195 -3.091 1.00 0.00 C ATOM 538 C LEU A 36 3.544 -7.628 -2.617 1.00 0.00 C ATOM 539 O LEU A 36 3.959 -6.550 -3.044 1.00 0.00 O ATOM 540 CB LEU A 36 1.095 -7.779 -2.129 1.00 0.00 C ATOM 541 CG LEU A 36 0.856 -6.273 -2.024 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.107 -5.764 -3.246 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.091 -5.943 -0.752 1.00 0.00 C ATOM 0 H LEU A 36 1.716 -10.144 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 36 1.996 -7.792 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.168 -8.257 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.331 -8.164 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 36 1.824 -5.773 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.054 -4.690 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.693 -5.967 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.856 -6.270 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.070 -4.867 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.872 -6.454 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.666 -6.271 0.114 1.00 0.00 H new ATOM 555 N ALA A 37 4.212 -8.361 -1.732 1.00 0.00 N ATOM 556 CA ALA A 37 5.499 -7.931 -1.200 1.00 0.00 C ATOM 557 C ALA A 37 6.537 -7.804 -2.311 1.00 0.00 C ATOM 558 O ALA A 37 7.437 -6.968 -2.239 1.00 0.00 O ATOM 559 CB ALA A 37 5.980 -8.904 -0.134 1.00 0.00 C ATOM 0 H ALA A 37 3.883 -9.255 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 37 5.368 -6.948 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.942 -8.571 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.254 -8.942 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.089 -9.897 -0.570 1.00 0.00 H new ATOM 565 N GLN A 38 6.406 -8.639 -3.335 1.00 0.00 N ATOM 566 CA GLN A 38 7.334 -8.620 -4.461 1.00 0.00 C ATOM 567 C GLN A 38 7.079 -7.412 -5.358 1.00 0.00 C ATOM 568 O GLN A 38 7.997 -6.898 -5.997 1.00 0.00 O ATOM 569 CB GLN A 38 7.207 -9.909 -5.275 1.00 0.00 C ATOM 570 CG GLN A 38 8.095 -11.035 -4.770 1.00 0.00 C ATOM 571 CD GLN A 38 8.254 -12.151 -5.784 1.00 0.00 C ATOM 572 OE1 GLN A 38 7.319 -12.909 -6.043 1.00 0.00 O ATOM 573 NE2 GLN A 38 9.444 -12.257 -6.364 1.00 0.00 N ATOM 0 H GLN A 38 5.667 -9.338 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 38 8.346 -8.547 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.169 -10.240 -5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.457 -9.699 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.077 -10.634 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.673 -11.441 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.191 -11.607 -6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.611 -12.989 -7.055 1.00 0.00 H new ATOM 582 N LYS A 39 5.828 -6.963 -5.400 1.00 0.00 N ATOM 583 CA LYS A 39 5.456 -5.816 -6.219 1.00 0.00 C ATOM 584 C LYS A 39 5.717 -4.509 -5.477 1.00 0.00 C ATOM 585 O LYS A 39 6.196 -3.536 -6.062 1.00 0.00 O ATOM 586 CB LYS A 39 3.980 -5.905 -6.615 1.00 0.00 C ATOM 587 CG LYS A 39 3.729 -6.784 -7.829 1.00 0.00 C ATOM 588 CD LYS A 39 3.720 -8.257 -7.456 1.00 0.00 C ATOM 589 CE LYS A 39 3.477 -9.138 -8.672 1.00 0.00 C ATOM 590 NZ LYS A 39 4.646 -9.143 -9.595 1.00 0.00 N ATOM 0 H LYS A 39 5.056 -7.376 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 39 6.070 -5.829 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.409 -6.293 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.606 -4.902 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.775 -6.516 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.500 -6.602 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.672 -8.523 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.945 -8.440 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.267 -10.157 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.594 -8.785 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.483 -9.831 -10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.769 -8.195 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.503 -9.406 -9.068 1.00 0.00 H new ATOM 604 N LEU A 40 5.399 -4.493 -4.187 1.00 0.00 N ATOM 605 CA LEU A 40 5.598 -3.304 -3.366 1.00 0.00 C ATOM 606 C LEU A 40 7.083 -3.024 -3.162 1.00 0.00 C ATOM 607 O LEU A 40 7.505 -1.869 -3.093 1.00 0.00 O ATOM 608 CB LEU A 40 4.908 -3.474 -2.010 1.00 0.00 C ATOM 609 CG LEU A 40 3.386 -3.611 -2.072 1.00 0.00 C ATOM 610 CD1 LEU A 40 2.817 -3.870 -0.685 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.764 -2.363 -2.680 1.00 0.00 C ATOM 0 H LEU A 40 5.003 -5.289 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 40 5.156 -2.455 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.318 -4.357 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.155 -2.617 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 40 3.142 -4.462 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.733 -3.965 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.239 -4.792 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.071 -3.039 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.681 -2.477 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.017 -1.496 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.148 -2.220 -3.690 1.00 0.00 H new ATOM 623 N GLY A 41 7.873 -4.090 -3.068 1.00 0.00 N ATOM 624 CA GLY A 41 9.303 -3.938 -2.873 1.00 0.00 C ATOM 625 C GLY A 41 9.764 -4.443 -1.520 1.00 0.00 C ATOM 626 O GLY A 41 10.788 -3.998 -1.000 1.00 0.00 O ATOM 0 H GLY A 41 7.548 -5.055 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.832 -4.478 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.570 -2.886 -2.974 1.00 0.00 H new ATOM 630 N LEU A 42 9.009 -5.376 -0.949 1.00 0.00 N ATOM 631 CA LEU A 42 9.346 -5.943 0.352 1.00 0.00 C ATOM 632 C LEU A 42 9.539 -7.453 0.252 1.00 0.00 C ATOM 633 O LEU A 42 9.299 -8.184 1.214 1.00 0.00 O ATOM 634 CB LEU A 42 8.250 -5.624 1.371 1.00 0.00 C ATOM 635 CG LEU A 42 8.132 -4.148 1.755 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.839 -3.896 2.514 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.332 -3.717 2.585 1.00 0.00 C ATOM 0 H LEU A 42 8.159 -5.756 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 42 10.282 -5.495 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.293 -5.956 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.435 -6.205 2.275 1.00 0.00 H new ATOM 0 HG LEU A 42 8.114 -3.554 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.772 -2.841 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.990 -4.167 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.826 -4.499 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.232 -2.664 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.380 -4.317 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.245 -3.861 2.007 1.00 0.00 H new ATOM 649 N GLY A 43 9.975 -7.913 -0.916 1.00 0.00 N ATOM 650 CA GLY A 43 10.194 -9.334 -1.119 1.00 0.00 C ATOM 651 C GLY A 43 11.402 -9.849 -0.364 1.00 0.00 C ATOM 652 O GLY A 43 11.467 -11.027 -0.011 1.00 0.00 O ATOM 0 H GLY A 43 10.181 -7.328 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.309 -9.884 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.324 -9.530 -2.183 1.00 0.00 H new ATOM 656 N ILE A 44 12.365 -8.966 -0.116 1.00 0.00 N ATOM 657 CA ILE A 44 13.577 -9.340 0.602 1.00 0.00 C ATOM 658 C ILE A 44 13.263 -9.740 2.042 1.00 0.00 C ATOM 659 O ILE A 44 13.972 -10.548 2.640 1.00 0.00 O ATOM 660 CB ILE A 44 14.605 -8.190 0.606 1.00 0.00 C ATOM 661 CG1 ILE A 44 15.912 -8.642 1.261 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.040 -6.970 1.319 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.742 -9.556 0.387 1.00 0.00 C ATOM 0 H ILE A 44 12.329 -7.988 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 44 14.005 -10.195 0.079 1.00 0.00 H new ATOM 0 HB ILE A 44 14.817 -7.914 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.503 -7.763 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.682 -9.156 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.780 -6.169 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.138 -6.635 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.798 -7.231 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.653 -9.836 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.169 -10.453 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.003 -9.039 -0.536 1.00 0.00 H new ATOM 675 N LEU A 45 12.195 -9.170 2.591 1.00 0.00 N ATOM 676 CA LEU A 45 11.787 -9.470 3.960 1.00 0.00 C ATOM 677 C LEU A 45 10.553 -10.365 3.978 1.00 0.00 C ATOM 678 O LEU A 45 9.704 -10.251 4.862 1.00 0.00 O ATOM 679 CB LEU A 45 11.502 -8.176 4.725 1.00 0.00 C ATOM 680 CG LEU A 45 12.540 -7.069 4.536 1.00 0.00 C ATOM 681 CD1 LEU A 45 11.939 -5.712 4.867 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.766 -7.336 5.396 1.00 0.00 C ATOM 0 H LEU A 45 11.597 -8.498 2.110 1.00 0.00 H new ATOM 0 HA LEU A 45 12.605 -10.000 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.528 -7.796 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.431 -8.408 5.788 1.00 0.00 H new ATOM 0 HG LEU A 45 12.849 -7.061 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.692 -4.937 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.092 -5.519 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.601 -5.707 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.494 -6.538 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.474 -7.371 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.210 -8.290 5.111 1.00 0.00 H new ATOM 694 N ASN A 46 10.460 -11.257 2.998 1.00 0.00 N ATOM 695 CA ASN A 46 9.328 -12.172 2.902 1.00 0.00 C ATOM 696 C ASN A 46 9.267 -13.091 4.119 1.00 0.00 C ATOM 697 O ASN A 46 8.227 -13.211 4.767 1.00 0.00 O ATOM 698 CB ASN A 46 9.426 -13.006 1.623 1.00 0.00 C ATOM 699 CG ASN A 46 8.076 -13.205 0.959 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.156 -13.768 1.554 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.952 -12.744 -0.279 1.00 0.00 N ATOM 0 H ASN A 46 11.154 -11.366 2.259 1.00 0.00 H new ATOM 0 HA ASN A 46 8.414 -11.578 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.103 -12.516 0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.859 -13.978 1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.068 -12.850 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.741 -12.284 -0.733 1.00 0.00 H new ATOM 708 N ASN A 47 10.388 -13.736 4.424 1.00 0.00 N ATOM 709 CA ASN A 47 10.462 -14.644 5.563 1.00 0.00 C ATOM 710 C ASN A 47 10.140 -13.915 6.864 1.00 0.00 C ATOM 711 O ASN A 47 9.611 -14.509 7.803 1.00 0.00 O ATOM 712 CB ASN A 47 11.855 -15.274 5.650 1.00 0.00 C ATOM 713 CG ASN A 47 12.963 -14.249 5.516 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.807 -13.093 5.910 1.00 0.00 O ATOM 715 ND2 ASN A 47 14.092 -14.669 4.958 1.00 0.00 N ATOM 0 H ASN A 47 11.258 -13.647 3.899 1.00 0.00 H new ATOM 0 HA ASN A 47 9.722 -15.431 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.957 -15.793 6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.961 -16.024 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.874 -14.024 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.178 -15.636 4.646 1.00 0.00 H new ATOM 722 N ALA A 48 10.462 -12.626 6.910 1.00 0.00 N ATOM 723 CA ALA A 48 10.206 -11.819 8.096 1.00 0.00 C ATOM 724 C ALA A 48 8.713 -11.736 8.393 1.00 0.00 C ATOM 725 O ALA A 48 8.302 -11.666 9.552 1.00 0.00 O ATOM 726 CB ALA A 48 10.789 -10.424 7.920 1.00 0.00 C ATOM 0 H ALA A 48 10.900 -12.119 6.141 1.00 0.00 H new ATOM 0 HA ALA A 48 10.692 -12.301 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.591 -9.831 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.865 -10.496 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.329 -9.944 7.056 1.00 0.00 H new ATOM 732 N PHE A 49 7.904 -11.745 7.337 1.00 0.00 N ATOM 733 CA PHE A 49 6.454 -11.672 7.485 1.00 0.00 C ATOM 734 C PHE A 49 5.858 -13.060 7.696 1.00 0.00 C ATOM 735 O PHE A 49 4.874 -13.220 8.417 1.00 0.00 O ATOM 736 CB PHE A 49 5.828 -11.016 6.253 1.00 0.00 C ATOM 737 CG PHE A 49 6.540 -9.771 5.808 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.706 -8.704 6.676 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.043 -9.667 4.520 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.360 -7.556 6.269 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.698 -8.523 4.108 1.00 0.00 C ATOM 742 CZ PHE A 49 7.856 -7.465 4.983 1.00 0.00 C ATOM 0 H PHE A 49 8.227 -11.802 6.371 1.00 0.00 H new ATOM 0 HA PHE A 49 6.233 -11.065 8.363 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.822 -11.734 5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.788 -10.772 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.320 -8.770 7.682 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.921 -10.490 3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.483 -6.731 6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.087 -8.455 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.366 -6.569 4.662 1.00 0.00 H new ATOM 752 N ARG A 50 6.459 -14.060 7.061 1.00 0.00 N ATOM 753 CA ARG A 50 5.987 -15.435 7.178 1.00 0.00 C ATOM 754 C ARG A 50 6.033 -15.905 8.628 1.00 0.00 C ATOM 755 O ARG A 50 5.216 -16.722 9.052 1.00 0.00 O ATOM 756 CB ARG A 50 6.831 -16.363 6.302 1.00 0.00 C ATOM 757 CG ARG A 50 6.054 -17.542 5.740 1.00 0.00 C ATOM 758 CD ARG A 50 6.861 -18.294 4.694 1.00 0.00 C ATOM 759 NE ARG A 50 6.081 -19.349 4.053 1.00 0.00 N ATOM 760 CZ ARG A 50 6.603 -20.275 3.253 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.905 -20.281 2.994 1.00 0.00 N ATOM 762 NH2 ARG A 50 5.823 -21.200 2.711 1.00 0.00 N ATOM 0 H ARG A 50 7.275 -13.944 6.459 1.00 0.00 H new ATOM 0 HA ARG A 50 4.952 -15.467 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.250 -15.788 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.670 -16.738 6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.784 -18.220 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.123 -17.188 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.214 -17.594 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.744 -18.730 5.162 1.00 0.00 H new ATOM 0 HE ARG A 50 5.077 -19.378 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.511 -19.573 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.300 -20.993 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.822 -21.202 2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.224 -21.910 2.098 1.00 0.00 H new ATOM 776 N LEU A 51 6.994 -15.383 9.383 1.00 0.00 N ATOM 777 CA LEU A 51 7.147 -15.750 10.787 1.00 0.00 C ATOM 778 C LEU A 51 6.009 -15.176 11.626 1.00 0.00 C ATOM 779 O LEU A 51 5.549 -15.805 12.578 1.00 0.00 O ATOM 780 CB LEU A 51 8.491 -15.255 11.322 1.00 0.00 C ATOM 781 CG LEU A 51 9.662 -16.219 11.123 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.982 -15.525 11.419 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.495 -17.448 12.004 1.00 0.00 C ATOM 0 H LEU A 51 7.678 -14.705 9.047 1.00 0.00 H new ATOM 0 HA LEU A 51 7.115 -16.837 10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.732 -14.309 10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.387 -15.049 12.387 1.00 0.00 H new ATOM 0 HG LEU A 51 9.670 -16.540 10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.803 -16.227 11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.105 -14.676 10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.985 -15.174 12.451 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.337 -18.123 11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.461 -17.144 13.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.568 -17.959 11.744 1.00 0.00 H new ATOM 795 N SER A 52 5.563 -13.977 11.266 1.00 0.00 N ATOM 796 CA SER A 52 4.480 -13.317 11.986 1.00 0.00 C ATOM 797 C SER A 52 3.148 -14.021 11.734 1.00 0.00 C ATOM 798 O SER A 52 2.949 -14.630 10.682 1.00 0.00 O ATOM 799 CB SER A 52 4.381 -11.849 11.567 1.00 0.00 C ATOM 800 OG SER A 52 5.662 -11.245 11.519 1.00 0.00 O ATOM 0 H SER A 52 5.935 -13.443 10.480 1.00 0.00 H new ATOM 0 HA SER A 52 4.702 -13.370 13.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.905 -11.778 10.589 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.747 -11.309 12.270 1.00 0.00 H new ATOM 0 HG SER A 52 5.608 -10.334 11.877 1.00 0.00 H new ATOM 806 N PRO A 53 2.216 -13.945 12.699 1.00 0.00 N ATOM 807 CA PRO A 53 0.899 -14.579 12.576 1.00 0.00 C ATOM 808 C PRO A 53 0.190 -14.194 11.282 1.00 0.00 C ATOM 809 O PRO A 53 -0.344 -15.050 10.576 1.00 0.00 O ATOM 810 CB PRO A 53 0.131 -14.042 13.786 1.00 0.00 C ATOM 811 CG PRO A 53 1.184 -13.698 14.782 1.00 0.00 C ATOM 812 CD PRO A 53 2.373 -13.239 13.985 1.00 0.00 C ATOM 0 HA PRO A 53 0.971 -15.666 12.549 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.464 -13.168 13.521 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.558 -14.789 14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.841 -12.914 15.458 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.436 -14.562 15.397 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.374 -12.157 13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.311 -13.501 14.475 1.00 0.00 H new ATOM 820 N ALA A 54 0.190 -12.900 10.976 1.00 0.00 N ATOM 821 CA ALA A 54 -0.451 -12.401 9.766 1.00 0.00 C ATOM 822 C ALA A 54 0.547 -11.662 8.879 1.00 0.00 C ATOM 823 O ALA A 54 0.688 -10.443 8.971 1.00 0.00 O ATOM 824 CB ALA A 54 -1.617 -11.490 10.124 1.00 0.00 C ATOM 0 H ALA A 54 0.627 -12.179 11.550 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.830 -13.256 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.087 -11.124 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.348 -12.048 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.252 -10.645 10.708 1.00 0.00 H new ATOM 830 N PRO A 55 1.258 -12.396 8.005 1.00 0.00 N ATOM 831 CA PRO A 55 2.248 -11.803 7.099 1.00 0.00 C ATOM 832 C PRO A 55 1.684 -10.626 6.311 1.00 0.00 C ATOM 833 O PRO A 55 2.418 -9.721 5.915 1.00 0.00 O ATOM 834 CB PRO A 55 2.603 -12.956 6.157 1.00 0.00 C ATOM 835 CG PRO A 55 2.322 -14.188 6.946 1.00 0.00 C ATOM 836 CD PRO A 55 1.152 -13.856 7.830 1.00 0.00 C ATOM 0 HA PRO A 55 3.103 -11.398 7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.004 -12.923 5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.648 -12.911 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.090 -15.027 6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.189 -14.478 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.206 -14.137 7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.208 -14.380 8.784 1.00 0.00 H new ATOM 844 N SER A 56 0.374 -10.644 6.086 1.00 0.00 N ATOM 845 CA SER A 56 -0.290 -9.577 5.345 1.00 0.00 C ATOM 846 C SER A 56 -0.334 -8.293 6.166 1.00 0.00 C ATOM 847 O SER A 56 -0.191 -7.195 5.627 1.00 0.00 O ATOM 848 CB SER A 56 -1.709 -10.001 4.962 1.00 0.00 C ATOM 849 OG SER A 56 -1.841 -11.411 4.971 1.00 0.00 O ATOM 0 H SER A 56 -0.249 -11.386 6.406 1.00 0.00 H new ATOM 0 HA SER A 56 0.282 -9.387 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.423 -9.562 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.952 -9.616 3.971 1.00 0.00 H new ATOM 0 HG SER A 56 -2.757 -11.655 4.724 1.00 0.00 H new ATOM 855 N LYS A 57 -0.532 -8.437 7.473 1.00 0.00 N ATOM 856 CA LYS A 57 -0.595 -7.288 8.368 1.00 0.00 C ATOM 857 C LYS A 57 0.795 -6.704 8.601 1.00 0.00 C ATOM 858 O LYS A 57 0.982 -5.488 8.558 1.00 0.00 O ATOM 859 CB LYS A 57 -1.222 -7.691 9.705 1.00 0.00 C ATOM 860 CG LYS A 57 -1.833 -6.525 10.465 1.00 0.00 C ATOM 861 CD LYS A 57 -2.382 -6.966 11.812 1.00 0.00 C ATOM 862 CE LYS A 57 -3.679 -6.248 12.146 1.00 0.00 C ATOM 863 NZ LYS A 57 -3.781 -5.930 13.597 1.00 0.00 N ATOM 0 H LYS A 57 -0.651 -9.338 7.935 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.216 -6.526 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.993 -8.440 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.460 -8.161 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.080 -5.751 10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.633 -6.082 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.553 -8.042 11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.644 -6.768 12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.743 -5.327 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.524 -6.869 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.680 -5.441 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.746 -6.811 14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.989 -5.316 13.874 1.00 0.00 H new ATOM 877 N THR A 58 1.764 -7.578 8.850 1.00 0.00 N ATOM 878 CA THR A 58 3.137 -7.148 9.089 1.00 0.00 C ATOM 879 C THR A 58 3.708 -6.437 7.868 1.00 0.00 C ATOM 880 O THR A 58 4.540 -5.539 7.992 1.00 0.00 O ATOM 881 CB THR A 58 4.013 -8.349 9.451 1.00 0.00 C ATOM 882 OG1 THR A 58 3.367 -9.173 10.403 1.00 0.00 O ATOM 883 CG2 THR A 58 5.360 -7.956 10.021 1.00 0.00 C ATOM 0 H THR A 58 1.624 -8.588 8.892 1.00 0.00 H new ATOM 0 HA THR A 58 3.130 -6.446 9.923 1.00 0.00 H new ATOM 0 HB THR A 58 4.174 -8.882 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.829 -9.102 11.264 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.931 -8.854 10.256 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.905 -7.361 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.214 -7.370 10.929 1.00 0.00 H new ATOM 891 N LEU A 59 3.254 -6.843 6.686 1.00 0.00 N ATOM 892 CA LEU A 59 3.720 -6.245 5.441 1.00 0.00 C ATOM 893 C LEU A 59 3.398 -4.754 5.400 1.00 0.00 C ATOM 894 O LEU A 59 4.241 -3.937 5.031 1.00 0.00 O ATOM 895 CB LEU A 59 3.083 -6.949 4.242 1.00 0.00 C ATOM 896 CG LEU A 59 3.676 -6.577 2.882 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.048 -7.209 2.708 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.743 -7.005 1.759 1.00 0.00 C ATOM 0 H LEU A 59 2.564 -7.584 6.565 1.00 0.00 H new ATOM 0 HA LEU A 59 4.802 -6.367 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.178 -8.026 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.017 -6.722 4.231 1.00 0.00 H new ATOM 0 HG LEU A 59 3.790 -5.494 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.455 -6.934 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.715 -6.854 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.960 -8.294 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.181 -6.733 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.598 -8.085 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.781 -6.505 1.874 1.00 0.00 H new ATOM 910 N MET A 60 2.172 -4.408 5.781 1.00 0.00 N ATOM 911 CA MET A 60 1.739 -3.016 5.788 1.00 0.00 C ATOM 912 C MET A 60 2.539 -2.202 6.800 1.00 0.00 C ATOM 913 O MET A 60 2.771 -1.008 6.607 1.00 0.00 O ATOM 914 CB MET A 60 0.247 -2.925 6.109 1.00 0.00 C ATOM 915 CG MET A 60 -0.650 -3.364 4.963 1.00 0.00 C ATOM 916 SD MET A 60 -0.409 -2.375 3.475 1.00 0.00 S ATOM 917 CE MET A 60 -0.946 -3.527 2.212 1.00 0.00 C ATOM 0 H MET A 60 1.462 -5.072 6.089 1.00 0.00 H new ATOM 0 HA MET A 60 1.916 -2.603 4.795 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.034 -3.541 6.983 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.004 -1.897 6.377 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.454 -4.412 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.692 -3.295 5.275 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.458 -2.984 1.418 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.080 -4.043 1.798 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.627 -4.256 2.651 1.00 0.00 H new ATOM 927 N ASP A 61 2.959 -2.855 7.878 1.00 0.00 N ATOM 928 CA ASP A 61 3.733 -2.191 8.920 1.00 0.00 C ATOM 929 C ASP A 61 5.133 -1.846 8.421 1.00 0.00 C ATOM 930 O ASP A 61 5.709 -0.832 8.812 1.00 0.00 O ATOM 931 CB ASP A 61 3.826 -3.081 10.161 1.00 0.00 C ATOM 932 CG ASP A 61 2.765 -2.750 11.191 1.00 0.00 C ATOM 933 OD1 ASP A 61 1.640 -3.280 11.077 1.00 0.00 O ATOM 934 OD2 ASP A 61 3.059 -1.960 12.113 1.00 0.00 O ATOM 0 H ASP A 61 2.776 -3.843 8.053 1.00 0.00 H new ATOM 0 HA ASP A 61 3.222 -1.265 9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.727 -4.125 9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.812 -2.970 10.611 1.00 0.00 H new ATOM 939 N ASN A 62 5.672 -2.698 7.556 1.00 0.00 N ATOM 940 CA ASN A 62 7.004 -2.485 7.004 1.00 0.00 C ATOM 941 C ASN A 62 6.955 -1.525 5.819 1.00 0.00 C ATOM 942 O ASN A 62 7.860 -0.715 5.624 1.00 0.00 O ATOM 943 CB ASN A 62 7.620 -3.817 6.571 1.00 0.00 C ATOM 944 CG ASN A 62 8.350 -4.511 7.703 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.580 -4.568 7.722 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.594 -5.045 8.656 1.00 0.00 N ATOM 0 H ASN A 62 5.207 -3.542 7.222 1.00 0.00 H new ATOM 0 HA ASN A 62 7.625 -2.042 7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.835 -4.472 6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.313 -3.643 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.030 -5.526 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.578 -4.974 8.600 1.00 0.00 H new ATOM 953 N TYR A 63 5.890 -1.624 5.029 1.00 0.00 N ATOM 954 CA TYR A 63 5.721 -0.764 3.862 1.00 0.00 C ATOM 955 C TYR A 63 5.591 0.697 4.278 1.00 0.00 C ATOM 956 O TYR A 63 6.108 1.591 3.609 1.00 0.00 O ATOM 957 CB TYR A 63 4.490 -1.191 3.062 1.00 0.00 C ATOM 958 CG TYR A 63 4.490 -0.694 1.635 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.633 -0.782 0.849 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.349 -0.136 1.073 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.637 -0.327 -0.457 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.346 0.320 -0.232 1.00 0.00 C ATOM 963 CZ TYR A 63 4.492 0.221 -0.992 1.00 0.00 C ATOM 964 OH TYR A 63 4.491 0.674 -2.291 1.00 0.00 O ATOM 0 H TYR A 63 5.132 -2.290 5.175 1.00 0.00 H new ATOM 0 HA TYR A 63 6.606 -0.867 3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.430 -2.279 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.595 -0.824 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.532 -1.212 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.449 -0.057 1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.534 -0.401 -1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.450 0.752 -0.654 1.00 0.00 H new ATOM 0 HH TYR A 63 5.126 0.149 -2.821 1.00 0.00 H new ATOM 974 N GLU A 64 4.896 0.931 5.387 1.00 0.00 N ATOM 975 CA GLU A 64 4.697 2.284 5.893 1.00 0.00 C ATOM 976 C GLU A 64 6.016 2.890 6.361 1.00 0.00 C ATOM 977 O GLU A 64 6.292 4.065 6.118 1.00 0.00 O ATOM 978 CB GLU A 64 3.688 2.277 7.043 1.00 0.00 C ATOM 979 CG GLU A 64 3.284 3.667 7.506 1.00 0.00 C ATOM 980 CD GLU A 64 1.802 3.773 7.807 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.990 3.433 6.921 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.453 4.196 8.930 1.00 0.00 O ATOM 0 H GLU A 64 4.462 0.201 5.952 1.00 0.00 H new ATOM 0 HA GLU A 64 4.306 2.896 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.796 1.734 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.114 1.732 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.852 3.928 8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.548 4.393 6.737 1.00 0.00 H new ATOM 989 N VAL A 65 6.828 2.079 7.031 1.00 0.00 N ATOM 990 CA VAL A 65 8.119 2.535 7.533 1.00 0.00 C ATOM 991 C VAL A 65 9.064 2.886 6.388 1.00 0.00 C ATOM 992 O VAL A 65 9.987 3.683 6.555 1.00 0.00 O ATOM 993 CB VAL A 65 8.785 1.468 8.423 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.049 2.019 9.066 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.811 0.973 9.484 1.00 0.00 C ATOM 0 H VAL A 65 6.615 1.103 7.239 1.00 0.00 H new ATOM 0 HA VAL A 65 7.927 3.428 8.129 1.00 0.00 H new ATOM 0 HB VAL A 65 9.064 0.622 7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.504 1.250 9.690 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.752 2.318 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.798 2.884 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.299 0.220 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.498 1.809 10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.938 0.535 9.000 1.00 0.00 H new ATOM 1005 N SER A 66 8.829 2.288 5.223 1.00 0.00 N ATOM 1006 CA SER A 66 9.661 2.540 4.052 1.00 0.00 C ATOM 1007 C SER A 66 9.031 3.598 3.152 1.00 0.00 C ATOM 1008 O SER A 66 9.125 3.520 1.927 1.00 0.00 O ATOM 1009 CB SER A 66 9.876 1.246 3.265 1.00 0.00 C ATOM 1010 OG SER A 66 10.705 0.345 3.979 1.00 0.00 O ATOM 0 H SER A 66 8.069 1.626 5.066 1.00 0.00 H new ATOM 0 HA SER A 66 10.626 2.912 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.914 0.776 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.329 1.475 2.300 1.00 0.00 H new ATOM 0 HG SER A 66 10.825 -0.474 3.455 1.00 0.00 H new ATOM 1016 N GLY A 67 8.388 4.586 3.766 1.00 0.00 N ATOM 1017 CA GLY A 67 7.754 5.644 3.004 1.00 0.00 C ATOM 1018 C GLY A 67 6.274 5.394 2.784 1.00 0.00 C ATOM 1019 O GLY A 67 5.430 6.116 3.314 1.00 0.00 O ATOM 0 H GLY A 67 8.295 4.672 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.886 6.592 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.251 5.740 2.038 1.00 0.00 H new ATOM 1023 N GLY A 68 5.960 4.370 1.997 1.00 0.00 N ATOM 1024 CA GLY A 68 4.573 4.046 1.721 1.00 0.00 C ATOM 1025 C GLY A 68 3.951 4.985 0.706 1.00 0.00 C ATOM 1026 O GLY A 68 4.127 6.200 0.785 1.00 0.00 O ATOM 0 H GLY A 68 6.641 3.759 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.508 3.022 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.002 4.088 2.648 1.00 0.00 H new ATOM 1030 N THR A 69 3.221 4.420 -0.250 1.00 0.00 N ATOM 1031 CA THR A 69 2.571 5.216 -1.284 1.00 0.00 C ATOM 1032 C THR A 69 1.264 4.568 -1.730 1.00 0.00 C ATOM 1033 O THR A 69 1.084 3.358 -1.600 1.00 0.00 O ATOM 1034 CB THR A 69 3.502 5.389 -2.485 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.317 4.244 -2.655 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.415 6.590 -2.365 1.00 0.00 C ATOM 0 H THR A 69 3.065 3.415 -0.330 1.00 0.00 H new ATOM 0 HA THR A 69 2.345 6.196 -0.863 1.00 0.00 H new ATOM 0 HB THR A 69 2.845 5.537 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.904 4.373 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.049 6.655 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.815 7.496 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.039 6.485 -1.478 1.00 0.00 H new ATOM 1044 N VAL A 70 0.356 5.383 -2.258 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.934 4.889 -2.724 1.00 0.00 C ATOM 1046 C VAL A 70 -0.858 4.450 -4.182 1.00 0.00 C ATOM 1047 O VAL A 70 -1.444 3.438 -4.567 1.00 0.00 O ATOM 1048 CB VAL A 70 -2.032 5.960 -2.579 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.400 5.366 -2.876 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.999 6.573 -1.186 1.00 0.00 C ATOM 0 H VAL A 70 0.490 6.388 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.189 4.032 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.841 6.751 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.163 6.137 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.416 4.980 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.604 4.554 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.781 7.327 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.164 5.794 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.028 7.037 -1.016 1.00 0.00 H new ATOM 1060 N ARG A 71 -0.131 5.217 -4.988 1.00 0.00 N ATOM 1061 CA ARG A 71 0.022 4.906 -6.404 1.00 0.00 C ATOM 1062 C ARG A 71 0.709 3.558 -6.594 1.00 0.00 C ATOM 1063 O ARG A 71 0.408 2.823 -7.533 1.00 0.00 O ATOM 1064 CB ARG A 71 0.825 6.004 -7.105 1.00 0.00 C ATOM 1065 CG ARG A 71 0.027 7.273 -7.360 1.00 0.00 C ATOM 1066 CD ARG A 71 -1.196 7.000 -8.221 1.00 0.00 C ATOM 1067 NE ARG A 71 -2.432 7.027 -7.443 1.00 0.00 N ATOM 1068 CZ ARG A 71 -3.642 7.173 -7.978 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -3.784 7.304 -9.291 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -4.714 7.188 -7.197 1.00 0.00 N ATOM 0 H ARG A 71 0.361 6.058 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.972 4.853 -6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.697 6.249 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.196 5.621 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.285 7.705 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.662 8.010 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.252 7.743 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.091 6.027 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.364 6.928 -6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.963 7.293 -9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.714 7.416 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.611 7.088 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.642 7.300 -7.606 1.00 0.00 H new ATOM 1084 N GLU A 72 1.632 3.241 -5.693 1.00 0.00 N ATOM 1085 CA GLU A 72 2.364 1.980 -5.759 1.00 0.00 C ATOM 1086 C GLU A 72 1.458 0.809 -5.394 1.00 0.00 C ATOM 1087 O GLU A 72 1.487 -0.237 -6.042 1.00 0.00 O ATOM 1088 CB GLU A 72 3.574 2.018 -4.824 1.00 0.00 C ATOM 1089 CG GLU A 72 4.851 2.486 -5.501 1.00 0.00 C ATOM 1090 CD GLU A 72 4.687 3.826 -6.192 1.00 0.00 C ATOM 1091 OE1 GLU A 72 3.878 4.647 -5.711 1.00 0.00 O ATOM 1092 OE2 GLU A 72 5.368 4.054 -7.214 1.00 0.00 O ATOM 0 H GLU A 72 1.892 3.839 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 72 2.712 1.842 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.354 2.679 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.735 1.022 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.646 2.559 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.165 1.741 -6.232 1.00 0.00 H new ATOM 1099 N LEU A 73 0.653 0.993 -4.352 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.262 -0.049 -3.901 1.00 0.00 C ATOM 1101 C LEU A 73 -1.296 -0.367 -4.975 1.00 0.00 C ATOM 1102 O LEU A 73 -1.640 -1.528 -5.196 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.965 0.384 -2.612 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.572 -0.757 -1.793 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.477 -1.639 -1.214 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.455 -0.203 -0.684 1.00 0.00 C ATOM 0 H LEU A 73 0.616 1.853 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 73 0.320 -0.949 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.249 0.919 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.756 1.090 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.189 -1.366 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.927 -2.445 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.116 -2.062 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.166 -1.043 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.879 -1.027 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.859 0.428 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.260 0.387 -1.121 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.787 0.673 -5.643 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.781 0.505 -6.696 1.00 0.00 C ATOM 1120 C VAL A 74 -2.178 -0.186 -7.914 1.00 0.00 C ATOM 1121 O VAL A 74 -2.866 -0.912 -8.631 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.375 1.859 -7.128 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.531 1.651 -8.095 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.823 2.661 -5.914 1.00 0.00 C ATOM 0 H VAL A 74 -1.512 1.640 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.576 -0.117 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.599 2.427 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.938 2.618 -8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.175 1.123 -8.980 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.310 1.062 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.239 3.614 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.582 2.101 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.968 2.843 -5.263 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.889 0.046 -8.142 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.193 -0.555 -9.274 1.00 0.00 C ATOM 1136 C GLU A 75 0.130 -2.021 -8.999 1.00 0.00 C ATOM 1137 O GLU A 75 -0.076 -2.882 -9.854 1.00 0.00 O ATOM 1138 CB GLU A 75 1.093 0.219 -9.577 1.00 0.00 C ATOM 1139 CG GLU A 75 1.033 1.012 -10.872 1.00 0.00 C ATOM 1140 CD GLU A 75 2.303 0.888 -11.691 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.894 -0.212 -11.706 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.706 1.890 -12.318 1.00 0.00 O ATOM 0 H GLU A 75 -0.306 0.646 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.850 -0.506 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.300 0.901 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.926 -0.482 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.187 0.667 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.854 2.062 -10.643 1.00 0.00 H new ATOM 1149 N ALA A 76 0.637 -2.296 -7.802 1.00 0.00 N ATOM 1150 CA ALA A 76 0.988 -3.657 -7.415 1.00 0.00 C ATOM 1151 C ALA A 76 -0.225 -4.578 -7.482 1.00 0.00 C ATOM 1152 O ALA A 76 -0.098 -5.770 -7.759 1.00 0.00 O ATOM 1153 CB ALA A 76 1.587 -3.671 -6.016 1.00 0.00 C ATOM 0 H ALA A 76 0.814 -1.594 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 76 1.732 -4.027 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.844 -4.694 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.485 -3.054 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.861 -3.276 -5.305 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.402 -4.016 -7.226 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.640 -4.786 -7.258 1.00 0.00 C ATOM 1161 C LEU A 77 -3.057 -5.091 -8.693 1.00 0.00 C ATOM 1162 O LEU A 77 -3.688 -6.113 -8.963 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.758 -4.025 -6.541 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.608 -3.933 -5.022 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.694 -3.048 -4.432 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.651 -5.320 -4.399 1.00 0.00 C ATOM 0 H LEU A 77 -1.524 -3.030 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.463 -5.730 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.808 -3.015 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.709 -4.507 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.640 -3.484 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.572 -2.994 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.618 -2.047 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.672 -3.468 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.543 -5.237 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.604 -5.795 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.837 -5.924 -4.799 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.701 -4.196 -9.610 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.038 -4.369 -11.017 1.00 0.00 C ATOM 1180 C ARG A 78 -2.134 -5.411 -11.668 1.00 0.00 C ATOM 1181 O ARG A 78 -2.543 -6.111 -12.595 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.920 -3.034 -11.758 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.205 -2.605 -12.447 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.632 -1.210 -12.018 1.00 0.00 C ATOM 1185 NE ARG A 78 -5.806 -0.745 -12.754 1.00 0.00 N ATOM 1186 CZ ARG A 78 -5.758 -0.256 -13.992 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -4.600 -0.166 -14.633 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -6.872 0.143 -14.588 1.00 0.00 N ATOM 0 H ARG A 78 -2.179 -3.344 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.068 -4.720 -11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.621 -2.260 -11.051 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.127 -3.110 -12.502 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.064 -2.627 -13.528 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.998 -3.316 -12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.851 -1.210 -10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.807 -0.515 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.714 -0.798 -12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.740 -0.472 -14.178 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.570 0.209 -15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.764 0.075 -14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.837 0.518 -15.536 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.904 -5.508 -11.176 1.00 0.00 N ATOM 1203 CA GLN A 79 0.060 -6.464 -11.709 1.00 0.00 C ATOM 1204 C GLN A 79 -0.276 -7.884 -11.262 1.00 0.00 C ATOM 1205 O GLN A 79 -0.016 -8.848 -11.982 1.00 0.00 O ATOM 1206 CB GLN A 79 1.475 -6.096 -11.258 1.00 0.00 C ATOM 1207 CG GLN A 79 1.951 -4.753 -11.789 1.00 0.00 C ATOM 1208 CD GLN A 79 3.449 -4.570 -11.648 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.221 -5.513 -11.818 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.869 -3.349 -11.336 1.00 0.00 N ATOM 0 H GLN A 79 -0.551 -4.936 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 79 0.010 -6.425 -12.797 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.508 -6.079 -10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.166 -6.873 -11.586 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.675 -4.663 -12.840 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.439 -3.953 -11.255 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.194 -2.596 -11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.866 -3.165 -11.228 1.00 0.00 H new ATOM 1219 N MET A 80 -0.855 -8.003 -10.073 1.00 0.00 N ATOM 1220 CA MET A 80 -1.227 -9.305 -9.530 1.00 0.00 C ATOM 1221 C MET A 80 -2.585 -9.750 -10.065 1.00 0.00 C ATOM 1222 O MET A 80 -2.818 -10.938 -10.284 1.00 0.00 O ATOM 1223 CB MET A 80 -1.260 -9.254 -8.002 1.00 0.00 C ATOM 1224 CG MET A 80 0.108 -9.058 -7.370 1.00 0.00 C ATOM 1225 SD MET A 80 0.015 -8.762 -5.594 1.00 0.00 S ATOM 1226 CE MET A 80 -0.947 -10.178 -5.065 1.00 0.00 C ATOM 0 H MET A 80 -1.077 -7.214 -9.466 1.00 0.00 H new ATOM 0 HA MET A 80 -0.477 -10.030 -9.846 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.916 -8.442 -7.688 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.696 -10.179 -7.625 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.720 -9.941 -7.556 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.608 -8.217 -7.849 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.811 -10.330 -3.994 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.002 -10.001 -5.276 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.614 -11.066 -5.603 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.477 -8.787 -10.273 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.800 -9.098 -10.780 1.00 0.00 C ATOM 1238 C GLY A 81 -5.894 -8.810 -9.770 1.00 0.00 C ATOM 1239 O GLY A 81 -6.963 -9.418 -9.813 1.00 0.00 O ATOM 0 H GLY A 81 -3.307 -7.796 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.984 -8.518 -11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.839 -10.150 -11.062 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.628 -7.878 -8.860 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.598 -7.511 -7.836 1.00 0.00 C ATOM 1245 C TYR A 82 -7.519 -6.401 -8.334 1.00 0.00 C ATOM 1246 O TYR A 82 -7.069 -5.445 -8.965 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.882 -7.065 -6.560 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.728 -8.165 -5.534 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.834 -8.855 -5.057 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.476 -8.514 -5.045 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.698 -9.861 -4.119 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.330 -9.520 -4.108 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.444 -10.190 -3.649 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.304 -11.192 -2.717 1.00 0.00 O ATOM 0 H TYR A 82 -4.749 -7.364 -8.811 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.204 -8.389 -7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.895 -6.684 -6.822 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.435 -6.238 -6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.817 -8.602 -5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.602 -7.991 -5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.569 -10.386 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.349 -9.779 -3.738 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.358 -11.288 -2.480 1.00 0.00 H new ATOM 1264 N THR A 83 -8.809 -6.534 -8.045 1.00 0.00 N ATOM 1265 CA THR A 83 -9.793 -5.543 -8.465 1.00 0.00 C ATOM 1266 C THR A 83 -10.501 -4.933 -7.259 1.00 0.00 C ATOM 1267 O THR A 83 -10.736 -3.726 -7.210 1.00 0.00 O ATOM 1268 CB THR A 83 -10.820 -6.178 -9.405 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.191 -7.081 -10.296 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.578 -5.165 -10.234 1.00 0.00 C ATOM 0 H THR A 83 -9.198 -7.318 -7.522 1.00 0.00 H new ATOM 0 HA THR A 83 -9.267 -4.749 -8.995 1.00 0.00 H new ATOM 0 HB THR A 83 -11.528 -6.693 -8.756 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.863 -7.478 -10.888 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.290 -5.681 -10.878 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.114 -4.483 -9.574 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.877 -4.599 -10.848 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.840 -5.775 -6.289 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.521 -5.318 -5.083 1.00 0.00 C ATOM 1280 C GLU A 84 -10.575 -4.522 -4.191 1.00 0.00 C ATOM 1281 O GLU A 84 -10.949 -3.485 -3.641 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.089 -6.510 -4.309 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.281 -6.156 -3.436 1.00 0.00 C ATOM 1284 CD GLU A 84 -12.880 -5.811 -2.015 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -12.064 -6.555 -1.431 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -13.382 -4.797 -1.485 1.00 0.00 O ATOM 0 H GLU A 84 -10.654 -6.778 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.341 -4.666 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.385 -7.284 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.304 -6.934 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.811 -5.311 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.977 -6.995 -3.420 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.348 -5.013 -4.049 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.349 -4.349 -3.223 1.00 0.00 C ATOM 1295 C ALA A 85 -8.082 -2.929 -3.714 1.00 0.00 C ATOM 1296 O ALA A 85 -7.885 -2.014 -2.916 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.058 -5.154 -3.207 1.00 0.00 C ATOM 0 H ALA A 85 -9.022 -5.870 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.739 -4.286 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.320 -4.646 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.253 -6.146 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.675 -5.247 -4.223 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.078 -2.756 -5.031 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.835 -1.447 -5.627 1.00 0.00 C ATOM 1305 C ILE A 86 -8.968 -0.478 -5.309 1.00 0.00 C ATOM 1306 O ILE A 86 -8.732 0.692 -5.010 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.672 -1.547 -7.156 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.640 -2.619 -7.514 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.264 -0.199 -7.737 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.421 -2.776 -9.004 1.00 0.00 C ATOM 0 H ILE A 86 -8.240 -3.504 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.908 -1.070 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.631 -1.833 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.691 -2.370 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.962 -3.574 -7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.153 -0.287 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.030 0.542 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.316 0.114 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.677 -3.553 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.360 -3.056 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.068 -1.833 -9.421 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.201 -0.973 -5.375 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.370 -0.149 -5.093 1.00 0.00 C ATOM 1324 C GLU A 87 -11.341 0.363 -3.656 1.00 0.00 C ATOM 1325 O GLU A 87 -11.749 1.492 -3.380 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.653 -0.946 -5.337 1.00 0.00 C ATOM 1327 CG GLU A 87 -12.792 -1.452 -6.762 1.00 0.00 C ATOM 1328 CD GLU A 87 -13.439 -0.435 -7.682 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -12.918 0.696 -7.777 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -14.467 -0.770 -8.309 1.00 0.00 O ATOM 0 H GLU A 87 -10.415 -1.939 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.350 0.708 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.679 -1.795 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.512 -0.319 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.807 -1.711 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.386 -2.366 -6.763 1.00 0.00 H new ATOM 1337 N VAL A 88 -10.857 -0.474 -2.745 1.00 0.00 N ATOM 1338 CA VAL A 88 -10.775 -0.107 -1.337 1.00 0.00 C ATOM 1339 C VAL A 88 -9.835 1.076 -1.130 1.00 0.00 C ATOM 1340 O VAL A 88 -10.068 1.924 -0.268 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.291 -1.288 -0.474 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.398 -0.950 1.005 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.080 -2.546 -0.802 1.00 0.00 C ATOM 0 H VAL A 88 -10.516 -1.411 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.782 0.172 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.242 -1.476 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.052 -1.797 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.783 -0.077 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.437 -0.733 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.725 -3.370 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.138 -2.374 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.943 -2.797 -1.854 1.00 0.00 H new ATOM 1353 N ILE A 89 -8.773 1.127 -1.927 1.00 0.00 N ATOM 1354 CA ILE A 89 -7.797 2.207 -1.830 1.00 0.00 C ATOM 1355 C ILE A 89 -8.299 3.466 -2.529 1.00 0.00 C ATOM 1356 O ILE A 89 -8.259 4.559 -1.965 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.443 1.798 -2.442 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -5.977 0.461 -1.862 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -5.399 2.878 -2.193 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.271 -0.421 -2.870 1.00 0.00 C ATOM 0 H ILE A 89 -8.566 0.434 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.659 2.414 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.571 1.682 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.306 0.651 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.839 -0.074 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.449 2.573 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.726 3.812 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.274 3.022 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.968 -1.352 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.947 -0.642 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.389 0.095 -3.250 1.00 0.00 H new ATOM 1372 N GLN A 90 -8.771 3.306 -3.762 1.00 0.00 N ATOM 1373 CA GLN A 90 -9.279 4.431 -4.537 1.00 0.00 C ATOM 1374 C GLN A 90 -10.491 5.059 -3.856 1.00 0.00 C ATOM 1375 O GLN A 90 -10.723 6.263 -3.966 1.00 0.00 O ATOM 1376 CB GLN A 90 -9.652 3.977 -5.950 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.507 4.082 -6.944 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.795 3.354 -8.243 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -8.385 2.209 -8.431 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.505 4.018 -9.149 1.00 0.00 N ATOM 0 H GLN A 90 -8.812 2.408 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.491 5.181 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.996 2.943 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.488 4.578 -6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.310 5.133 -7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.602 3.673 -6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.825 4.966 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.730 3.580 -10.042 1.00 0.00 H new ATOM 1389 N ALA A 91 -11.261 4.236 -3.153 1.00 0.00 N ATOM 1390 CA ALA A 91 -12.449 4.711 -2.453 1.00 0.00 C ATOM 1391 C ALA A 91 -12.090 5.769 -1.416 1.00 0.00 C ATOM 1392 O ALA A 91 -12.852 6.707 -1.181 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.172 3.547 -1.793 1.00 0.00 C ATOM 0 H ALA A 91 -11.084 3.237 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.113 5.170 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.057 3.915 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -13.471 2.826 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -12.507 3.064 -1.078 1.00 0.00 H new ATOM 1399 N ALA A 92 -10.922 5.613 -0.799 1.00 0.00 N ATOM 1400 CA ALA A 92 -10.463 6.556 0.213 1.00 0.00 C ATOM 1401 C ALA A 92 -9.473 7.556 -0.377 1.00 0.00 C ATOM 1402 O ALA A 92 -9.773 8.745 -0.493 1.00 0.00 O ATOM 1403 CB ALA A 92 -9.829 5.810 1.378 1.00 0.00 C ATOM 0 H ALA A 92 -10.278 4.844 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.328 7.111 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.490 6.526 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.564 5.139 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.978 5.230 1.019 1.00 0.00 H new ATOM 1409 N SER A 93 -8.296 7.066 -0.749 1.00 0.00 N ATOM 1410 CA SER A 93 -7.262 7.917 -1.327 1.00 0.00 C ATOM 1411 C SER A 93 -7.712 8.484 -2.671 1.00 0.00 C ATOM 1412 O SER A 93 -8.737 8.076 -3.215 1.00 0.00 O ATOM 1413 CB SER A 93 -5.963 7.128 -1.503 1.00 0.00 C ATOM 1414 OG SER A 93 -5.747 6.250 -0.411 1.00 0.00 O ATOM 0 H SER A 93 -8.034 6.084 -0.661 1.00 0.00 H new ATOM 0 HA SER A 93 -7.086 8.747 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.004 6.557 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.124 7.818 -1.590 1.00 0.00 H new ATOM 0 HG SER A 93 -4.799 6.264 -0.163 1.00 0.00 H new ATOM 1420 N SER A 94 -6.937 9.427 -3.197 1.00 0.00 N ATOM 1421 CA SER A 94 -7.254 10.051 -4.476 1.00 0.00 C ATOM 1422 C SER A 94 -8.603 10.760 -4.418 1.00 0.00 C ATOM 1423 O SER A 94 -9.652 10.133 -4.562 1.00 0.00 O ATOM 1424 CB SER A 94 -7.266 9.001 -5.590 1.00 0.00 C ATOM 1425 OG SER A 94 -7.391 9.610 -6.863 1.00 0.00 O ATOM 0 H SER A 94 -6.085 9.776 -2.757 1.00 0.00 H new ATOM 0 HA SER A 94 -6.484 10.792 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.347 8.415 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.092 8.308 -5.432 1.00 0.00 H new ATOM 0 HG SER A 94 -7.395 8.919 -7.557 1.00 0.00 H new ATOM 1431 N SER A 95 -8.568 12.072 -4.205 1.00 0.00 N ATOM 1432 CA SER A 95 -9.787 12.867 -4.127 1.00 0.00 C ATOM 1433 C SER A 95 -9.478 14.353 -4.268 1.00 0.00 C ATOM 1434 O SER A 95 -8.364 14.795 -3.989 1.00 0.00 O ATOM 1435 CB SER A 95 -10.508 12.607 -2.803 1.00 0.00 C ATOM 1436 OG SER A 95 -10.476 11.231 -2.466 1.00 0.00 O ATOM 0 H SER A 95 -7.708 12.606 -4.083 1.00 0.00 H new ATOM 0 HA SER A 95 -10.437 12.570 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.040 13.190 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.542 12.943 -2.877 1.00 0.00 H new ATOM 0 HG SER A 95 -10.543 10.693 -3.282 1.00 0.00 H new ATOM 1442 N GLY A 96 -10.472 15.121 -4.702 1.00 0.00 N ATOM 1443 CA GLY A 96 -10.286 16.550 -4.872 1.00 0.00 C ATOM 1444 C GLY A 96 -10.752 17.040 -6.231 1.00 0.00 C ATOM 1445 O GLY A 96 -11.795 17.686 -6.336 1.00 0.00 O ATOM 0 H GLY A 96 -11.403 14.779 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.833 17.079 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.231 16.794 -4.744 1.00 0.00 H new ATOM 1449 N PRO A 97 -9.994 16.743 -7.301 1.00 0.00 N ATOM 1450 CA PRO A 97 -10.348 17.164 -8.660 1.00 0.00 C ATOM 1451 C PRO A 97 -11.579 16.436 -9.190 1.00 0.00 C ATOM 1452 O PRO A 97 -12.486 17.055 -9.747 1.00 0.00 O ATOM 1453 CB PRO A 97 -9.113 16.792 -9.483 1.00 0.00 C ATOM 1454 CG PRO A 97 -8.467 15.689 -8.721 1.00 0.00 C ATOM 1455 CD PRO A 97 -8.735 15.976 -7.269 1.00 0.00 C ATOM 0 HA PRO A 97 -10.602 18.223 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -9.389 16.470 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.441 17.643 -9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.878 14.722 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.396 15.652 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.838 15.058 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.926 16.550 -6.816 1.00 0.00 H new ATOM 1463 N SER A 98 -11.605 15.119 -9.010 1.00 0.00 N ATOM 1464 CA SER A 98 -12.725 14.308 -9.470 1.00 0.00 C ATOM 1465 C SER A 98 -12.932 13.101 -8.561 1.00 0.00 C ATOM 1466 O SER A 98 -12.146 12.858 -7.646 1.00 0.00 O ATOM 1467 CB SER A 98 -12.489 13.843 -10.909 1.00 0.00 C ATOM 1468 OG SER A 98 -11.104 13.736 -11.190 1.00 0.00 O ATOM 0 H SER A 98 -10.863 14.592 -8.549 1.00 0.00 H new ATOM 0 HA SER A 98 -13.624 14.923 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.971 12.878 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.951 14.546 -11.602 1.00 0.00 H new ATOM 0 HG SER A 98 -10.980 13.436 -12.115 1.00 0.00 H new ATOM 1474 N SER A 99 -13.997 12.348 -8.820 1.00 0.00 N ATOM 1475 CA SER A 99 -14.307 11.166 -8.025 1.00 0.00 C ATOM 1476 C SER A 99 -14.535 11.537 -6.564 1.00 0.00 C ATOM 1477 O SER A 99 -13.614 11.486 -5.748 1.00 0.00 O ATOM 1478 CB SER A 99 -13.175 10.142 -8.133 1.00 0.00 C ATOM 1479 OG SER A 99 -13.685 8.820 -8.159 1.00 0.00 O ATOM 0 H SER A 99 -14.659 12.536 -9.573 1.00 0.00 H new ATOM 0 HA SER A 99 -15.224 10.726 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.596 10.330 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.495 10.256 -7.289 1.00 0.00 H new ATOM 0 HG SER A 99 -12.943 8.184 -8.230 1.00 0.00 H new ATOM 1485 N GLY A 100 -15.769 11.911 -6.239 1.00 0.00 N ATOM 1486 CA GLY A 100 -16.096 12.286 -4.875 1.00 0.00 C ATOM 1487 C GLY A 100 -15.802 13.746 -4.589 1.00 0.00 C ATOM 1488 O GLY A 100 -16.175 14.223 -3.497 1.00 0.00 O ATOM 1489 OXT GLY A 100 -15.200 14.412 -5.456 1.00 0.00 O ATOM 0 H GLY A 100 -16.548 11.961 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.152 12.088 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.529 11.662 -4.184 1.00 0.00 H new TER 1493 GLY A 100