USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 55 THR OG1 : rot -1:sc= 1.1 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.197 (180deg=0.135) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0446 (180deg=-0.409) USER MOD Single : A 7 THR OG1 : rot 120:sc= -1.4 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 14 THR OG1 : rot 42:sc= 0.0564 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 25 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.113 (180deg=-0.508) USER MOD Single : A 31 GLN : amide:sc=-0.00245 K(o=-0.0025,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.079) USER MOD Single : A 40 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.017) USER MOD Single : A 41 GLN : amide:sc= 0.0377 K(o=0.038,f=-0.56) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 59 TYR OH : rot -15:sc= 0.7 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0331 (180deg=-0.267) USER MOD Single : A 65 SER OG : rot 140:sc= -0.0871 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.253 25.017 2.440 1.00 49.53 N ATOM 2 CA MET A 1 26.157 25.966 2.704 1.00 50.07 C ATOM 3 C MET A 1 26.842 27.191 3.356 1.00 50.51 C ATOM 4 O MET A 1 27.931 27.038 3.908 1.00 49.49 O ATOM 5 CB MET A 1 25.109 25.354 3.632 1.00 49.82 C ATOM 6 CG MET A 1 24.318 24.206 3.018 1.00 49.86 C ATOM 7 SD MET A 1 22.967 23.651 4.075 1.00 49.91 S ATOM 8 CE MET A 1 22.380 22.231 3.156 1.00 49.78 C ATOM 0 H1 MET A 1 27.359 24.886 1.414 1.00 49.53 H new ATOM 0 H2 MET A 1 28.139 25.392 2.834 1.00 49.53 H new ATOM 0 H3 MET A 1 27.035 24.103 2.885 1.00 49.53 H new ATOM 0 HA MET A 1 25.621 26.237 1.794 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.605 24.996 4.534 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.413 26.135 3.940 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.915 24.521 2.055 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.990 23.370 2.824 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.541 21.777 3.684 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.056 22.548 2.165 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.185 21.502 3.059 1.00 49.78 H new ATOM 18 N GLN A 2 26.167 28.297 3.253 1.00 49.53 N ATOM 19 CA GLN A 2 26.712 29.541 3.881 1.00 50.07 C ATOM 20 C GLN A 2 26.143 29.470 5.290 1.00 50.51 C ATOM 21 O GLN A 2 25.113 28.799 5.578 1.00 49.49 O ATOM 22 CB GLN A 2 26.233 30.800 3.153 1.00 49.82 C ATOM 23 CG GLN A 2 26.631 30.861 1.688 1.00 49.82 C ATOM 24 CD GLN A 2 25.913 31.969 0.940 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.142 32.734 1.525 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.163 32.060 -0.362 1.00 49.38 N ATOM 0 H GLN A 2 25.274 28.400 2.770 1.00 49.53 H new ATOM 0 HA GLN A 2 27.800 29.599 3.849 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.147 30.857 3.226 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.633 31.676 3.664 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.708 31.014 1.613 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.411 29.904 1.214 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.808 31.405 -0.804 1.00 49.38 H new ATOM 0 HE22 GLN A 2 25.710 32.784 -0.919 1.00 49.38 H new ATOM 35 N ILE A 3 26.843 30.114 6.212 1.00 49.53 N ATOM 36 CA ILE A 3 26.333 30.251 7.590 1.00 50.07 C ATOM 37 C ILE A 3 26.889 31.581 8.179 1.00 50.51 C ATOM 38 O ILE A 3 28.101 31.721 8.132 1.00 49.49 O ATOM 39 CB ILE A 3 26.758 29.071 8.483 1.00 49.91 C ATOM 40 CG1 ILE A 3 25.955 29.070 9.786 1.00 49.82 C ATOM 41 CG2 ILE A 3 28.250 29.134 8.773 1.00 49.73 C ATOM 42 CD1 ILE A 3 26.091 27.796 10.586 1.00 49.73 C ATOM 0 H ILE A 3 27.752 30.547 6.047 1.00 49.53 H new ATOM 0 HA ILE A 3 25.243 30.257 7.563 1.00 50.07 H new ATOM 0 HB ILE A 3 26.551 28.142 7.951 1.00 49.91 H new ATOM 0 HG12 ILE A 3 26.277 29.910 10.401 1.00 49.82 H new ATOM 0 HG13 ILE A 3 24.902 29.231 9.553 1.00 49.82 H new ATOM 0 HG21 ILE A 3 28.534 28.293 9.405 1.00 49.73 H new ATOM 0 HG22 ILE A 3 28.805 29.087 7.836 1.00 49.73 H new ATOM 0 HG23 ILE A 3 28.482 30.068 9.286 1.00 49.73 H new ATOM 0 HD11 ILE A 3 25.494 27.871 11.495 1.00 49.73 H new ATOM 0 HD12 ILE A 3 25.741 26.953 9.990 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.137 27.643 10.851 1.00 49.73 H new ATOM 54 N PHE A 4 25.966 32.350 8.703 1.00 49.53 N ATOM 55 CA PHE A 4 26.412 33.660 9.310 1.00 50.07 C ATOM 56 C PHE A 4 26.685 33.535 10.782 1.00 50.51 C ATOM 57 O PHE A 4 25.886 32.840 11.429 1.00 49.49 O ATOM 58 CB PHE A 4 25.363 34.746 9.063 1.00 49.82 C ATOM 59 CG PHE A 4 25.196 35.109 7.614 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.155 35.866 6.959 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.079 34.693 6.904 1.00 49.88 C ATOM 62 CE1 PHE A 4 26.003 36.203 5.628 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.925 35.027 5.573 1.00 49.88 C ATOM 64 CZ PHE A 4 24.886 35.781 4.934 1.00 49.88 C ATOM 0 H PHE A 4 24.967 32.149 8.742 1.00 49.53 H new ATOM 0 HA PHE A 4 27.346 33.941 8.823 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.404 34.408 9.456 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.640 35.640 9.622 1.00 49.82 H new ATOM 0 HD1 PHE A 4 27.032 36.196 7.496 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.322 34.102 7.398 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.757 36.796 5.131 1.00 49.88 H new ATOM 0 HE2 PHE A 4 23.050 34.697 5.032 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.766 36.041 3.893 1.00 49.88 H new ATOM 74 N VAL A 5 27.699 34.185 11.346 1.00 49.53 N ATOM 75 CA VAL A 5 27.931 34.155 12.776 1.00 50.07 C ATOM 76 C VAL A 5 27.917 35.582 13.371 1.00 50.51 C ATOM 77 O VAL A 5 28.970 36.204 13.183 1.00 49.49 O ATOM 78 CB VAL A 5 29.272 33.478 13.116 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.504 33.482 14.619 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.304 32.056 12.577 1.00 49.73 C ATOM 0 H VAL A 5 28.375 34.742 10.824 1.00 49.53 H new ATOM 0 HA VAL A 5 27.121 33.573 13.216 1.00 50.07 H new ATOM 0 HB VAL A 5 30.073 34.044 12.641 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.456 33.000 14.842 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.524 34.510 14.981 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.698 32.939 15.113 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.259 31.594 12.827 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.494 31.479 13.023 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.182 32.075 11.494 1.00 49.73 H new ATOM 90 N LYS A 6 26.831 35.972 13.944 1.00 49.53 N ATOM 91 CA LYS A 6 26.724 37.361 14.510 1.00 50.07 C ATOM 92 C LYS A 6 27.588 37.602 15.717 1.00 50.51 C ATOM 93 O LYS A 6 27.764 36.693 16.561 1.00 49.49 O ATOM 94 CB LYS A 6 25.267 37.676 14.852 1.00 49.82 C ATOM 95 CG LYS A 6 25.023 39.109 15.304 1.00 49.82 C ATOM 96 CD LYS A 6 23.591 39.303 15.781 1.00 49.82 C ATOM 97 CE LYS A 6 22.620 39.358 14.610 1.00 50.21 C ATOM 98 NZ LYS A 6 22.860 40.542 13.742 1.00 49.70 N ATOM 0 H LYS A 6 25.996 35.397 14.054 1.00 49.53 H new ATOM 0 HA LYS A 6 27.092 38.029 13.731 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.649 37.474 13.977 1.00 49.82 H new ATOM 0 HB3 LYS A 6 24.937 36.998 15.639 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.714 39.361 16.109 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.230 39.792 14.480 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.314 38.486 16.448 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.520 40.225 16.359 1.00 49.82 H new ATOM 0 HE2 LYS A 6 22.715 38.448 14.017 1.00 50.21 H new ATOM 0 HE3 LYS A 6 21.598 39.387 14.988 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.014 40.727 13.166 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 23.063 41.372 14.335 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 23.670 40.356 13.117 1.00 49.70 H new ATOM 112 N THR A 7 28.275 38.766 15.762 1.00 49.53 N ATOM 113 CA THR A 7 29.139 39.070 16.912 1.00 50.07 C ATOM 114 C THR A 7 28.461 40.251 17.613 1.00 50.51 C ATOM 115 O THR A 7 27.876 41.077 16.909 1.00 49.49 O ATOM 116 CB THR A 7 30.569 39.454 16.489 1.00 50.14 C ATOM 117 OG1 THR A 7 30.560 40.757 15.892 1.00 49.34 O ATOM 118 CG2 THR A 7 31.118 38.446 15.490 1.00 49.73 C ATOM 0 H THR A 7 28.248 39.485 15.039 1.00 49.53 H new ATOM 0 HA THR A 7 29.248 38.197 17.555 1.00 50.07 H new ATOM 0 HB THR A 7 31.205 39.457 17.374 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.137 41.358 16.409 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.129 38.733 15.202 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.138 37.456 15.946 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.481 38.426 14.606 1.00 49.73 H new ATOM 126 N LEU A 8 28.599 40.358 18.916 1.00 49.53 N ATOM 127 CA LEU A 8 27.938 41.447 19.669 1.00 50.07 C ATOM 128 C LEU A 8 28.231 42.883 19.284 1.00 50.51 C ATOM 129 O LEU A 8 27.565 43.805 19.794 1.00 49.49 O ATOM 130 CB LEU A 8 28.227 41.266 21.164 1.00 49.82 C ATOM 131 CG LEU A 8 27.494 40.098 21.835 1.00 49.91 C ATOM 132 CD1 LEU A 8 27.942 39.964 23.284 1.00 49.73 C ATOM 133 CD2 LEU A 8 25.992 40.326 21.753 1.00 49.73 C ATOM 0 H LEU A 8 29.153 39.721 19.488 1.00 49.53 H new ATOM 0 HA LEU A 8 26.888 41.328 19.400 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.300 41.124 21.296 1.00 49.82 H new ATOM 0 HB3 LEU A 8 27.961 42.187 21.683 1.00 49.82 H new ATOM 0 HG LEU A 8 27.736 39.170 21.317 1.00 49.91 H new ATOM 0 HD11 LEU A 8 27.416 39.132 23.752 1.00 49.73 H new ATOM 0 HD12 LEU A 8 29.016 39.779 23.317 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.716 40.885 23.822 1.00 49.73 H new ATOM 0 HD21 LEU A 8 25.471 39.496 22.230 1.00 49.73 H new ATOM 0 HD22 LEU A 8 25.737 41.255 22.263 1.00 49.73 H new ATOM 0 HD23 LEU A 8 25.690 40.391 20.708 1.00 49.73 H new ATOM 145 N THR A 9 29.190 43.101 18.364 1.00 49.53 N ATOM 146 CA THR A 9 29.443 44.540 18.014 1.00 50.07 C ATOM 147 C THR A 9 29.175 45.039 16.628 1.00 50.51 C ATOM 148 O THR A 9 29.717 46.069 16.185 1.00 49.49 O ATOM 149 CB THR A 9 30.896 44.918 18.361 1.00 50.14 C ATOM 150 OG1 THR A 9 31.796 44.176 17.528 1.00 49.34 O ATOM 151 CG2 THR A 9 31.193 44.611 19.821 1.00 49.73 C ATOM 0 H THR A 9 29.755 42.398 17.887 1.00 49.53 H new ATOM 0 HA THR A 9 28.676 45.028 18.616 1.00 50.07 H new ATOM 0 HB THR A 9 31.029 45.986 18.191 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.720 44.418 17.748 1.00 49.34 H new ATOM 0 HG21 THR A 9 32.223 44.884 20.048 1.00 49.73 H new ATOM 0 HG22 THR A 9 30.517 45.182 20.458 1.00 49.73 H new ATOM 0 HG23 THR A 9 31.051 43.546 20.005 1.00 49.73 H new ATOM 159 N GLY A 10 28.385 44.341 15.873 1.00 49.53 N ATOM 160 CA GLY A 10 28.034 44.705 14.518 1.00 49.98 C ATOM 161 C GLY A 10 28.835 44.094 13.408 1.00 50.51 C ATOM 162 O GLY A 10 28.359 44.011 12.254 1.00 49.49 O ATOM 0 H GLY A 10 27.948 43.473 16.184 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.987 44.445 14.360 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.110 45.789 14.430 1.00 49.98 H new ATOM 166 N LYS A 11 29.952 43.505 13.754 1.00 49.53 N ATOM 167 CA LYS A 11 30.780 42.776 12.803 1.00 50.07 C ATOM 168 C LYS A 11 30.015 41.594 12.165 1.00 50.51 C ATOM 169 O LYS A 11 29.109 41.099 12.826 1.00 49.49 O ATOM 170 CB LYS A 11 32.054 42.271 13.482 1.00 49.82 C ATOM 171 CG LYS A 11 33.021 43.369 13.903 1.00 49.82 C ATOM 172 CD LYS A 11 34.268 42.791 14.554 1.00 49.82 C ATOM 173 CE LYS A 11 35.238 43.887 14.969 1.00 50.21 C ATOM 174 NZ LYS A 11 36.465 43.334 15.603 1.00 49.70 N ATOM 0 H LYS A 11 30.321 43.513 14.705 1.00 49.53 H new ATOM 0 HA LYS A 11 31.049 43.469 12.006 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.776 41.691 14.362 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.568 41.592 12.802 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.304 43.960 13.032 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.525 44.045 14.600 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.985 42.204 15.428 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.761 42.111 13.859 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.515 44.476 14.095 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.744 44.564 15.666 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.099 44.114 15.871 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 36.204 42.793 16.452 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 36.951 42.708 14.930 1.00 49.70 H new ATOM 188 N THR A 12 30.440 41.189 10.982 1.00 49.53 N ATOM 189 CA THR A 12 29.787 40.008 10.387 1.00 50.07 C ATOM 190 C THR A 12 30.791 39.247 9.523 1.00 50.51 C ATOM 191 O THR A 12 31.700 39.915 9.022 1.00 49.49 O ATOM 192 CB THR A 12 28.570 40.400 9.529 1.00 50.14 C ATOM 193 OG1 THR A 12 27.603 41.073 10.346 1.00 49.34 O ATOM 194 CG2 THR A 12 27.933 39.164 8.910 1.00 49.73 C ATOM 0 H THR A 12 31.185 41.618 10.433 1.00 49.53 H new ATOM 0 HA THR A 12 29.436 39.376 11.203 1.00 50.07 H new ATOM 0 HB THR A 12 28.905 41.062 8.731 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.830 41.323 9.799 1.00 49.34 H new ATOM 0 HG21 THR A 12 27.075 39.460 8.307 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.662 38.656 8.278 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.605 38.489 9.701 1.00 49.73 H new ATOM 202 N ILE A 13 30.609 37.930 9.435 1.00 49.53 N ATOM 203 CA ILE A 13 31.597 37.206 8.581 1.00 50.07 C ATOM 204 C ILE A 13 30.929 36.083 7.837 1.00 50.51 C ATOM 205 O ILE A 13 29.918 35.535 8.317 1.00 49.49 O ATOM 206 CB ILE A 13 32.761 36.641 9.415 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.226 35.801 10.579 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.644 37.767 9.929 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.254 34.879 11.189 1.00 49.73 C ATOM 0 H ILE A 13 29.878 37.376 9.882 1.00 49.53 H new ATOM 0 HA ILE A 13 31.999 37.928 7.870 1.00 50.07 H new ATOM 0 HB ILE A 13 33.365 35.997 8.775 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.847 36.469 11.352 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.382 35.207 10.228 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.462 37.349 10.516 1.00 49.73 H new ATOM 0 HG22 ILE A 13 34.051 38.324 9.085 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.053 38.436 10.554 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.800 34.318 12.006 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.617 34.186 10.430 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.088 35.467 11.572 1.00 49.73 H new ATOM 221 N THR A 14 31.368 35.796 6.632 1.00 49.53 N ATOM 222 CA THR A 14 30.724 34.651 5.923 1.00 50.07 C ATOM 223 C THR A 14 31.572 33.406 5.937 1.00 50.51 C ATOM 224 O THR A 14 32.772 33.453 5.558 1.00 49.49 O ATOM 225 CB THR A 14 30.395 35.011 4.463 1.00 50.14 C ATOM 226 OG1 THR A 14 31.545 35.605 3.844 1.00 49.34 O ATOM 227 CG2 THR A 14 29.230 35.987 4.402 1.00 49.73 C ATOM 0 H THR A 14 32.111 36.282 6.130 1.00 49.53 H new ATOM 0 HA THR A 14 29.804 34.445 6.470 1.00 50.07 H new ATOM 0 HB THR A 14 30.118 34.099 3.934 1.00 50.14 H new ATOM 0 HG1 THR A 14 32.349 35.110 4.105 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.013 36.229 3.362 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.351 35.534 4.860 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.490 36.898 4.940 1.00 49.73 H new ATOM 235 N LEU A 15 31.013 32.265 6.309 1.00 49.53 N ATOM 236 CA LEU A 15 31.753 31.024 6.369 1.00 50.07 C ATOM 237 C LEU A 15 31.122 29.895 5.545 1.00 50.51 C ATOM 238 O LEU A 15 29.898 29.892 5.510 1.00 49.49 O ATOM 239 CB LEU A 15 31.911 30.581 7.829 1.00 49.82 C ATOM 240 CG LEU A 15 32.477 31.646 8.776 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.637 31.067 10.176 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.812 32.144 8.242 1.00 49.73 C ATOM 0 H LEU A 15 30.033 32.178 6.577 1.00 49.53 H new ATOM 0 HA LEU A 15 32.729 31.222 5.925 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.937 30.265 8.204 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.563 29.708 7.859 1.00 49.82 H new ATOM 0 HG LEU A 15 31.786 32.487 8.832 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.040 31.830 10.842 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.666 30.738 10.547 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.320 30.218 10.143 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.214 32.901 8.916 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.511 31.310 8.175 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.669 32.578 7.252 1.00 49.73 H new ATOM 254 N GLU A 16 31.965 29.020 5.055 1.00 49.53 N ATOM 255 CA GLU A 16 31.387 27.823 4.361 1.00 50.07 C ATOM 256 C GLU A 16 31.631 26.680 5.322 1.00 50.51 C ATOM 257 O GLU A 16 32.528 26.782 6.156 1.00 49.49 O ATOM 258 CB GLU A 16 32.067 27.572 3.013 1.00 49.82 C ATOM 259 CG GLU A 16 31.844 28.669 1.982 1.00 49.72 C ATOM 260 CD GLU A 16 32.312 28.242 0.619 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.850 27.233 0.142 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.047 28.981 0.007 1.00 49.24 O ATOM 0 H GLU A 16 32.983 29.073 5.099 1.00 49.53 H new ATOM 0 HA GLU A 16 30.330 27.952 4.129 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.138 27.456 3.176 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.703 26.629 2.606 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.785 28.923 1.942 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.377 29.570 2.286 1.00 49.72 H new ATOM 269 N VAL A 17 30.632 25.811 5.353 1.00 49.53 N ATOM 270 CA VAL A 17 30.639 24.656 6.244 1.00 50.07 C ATOM 271 C VAL A 17 29.964 23.523 5.460 1.00 50.51 C ATOM 272 O VAL A 17 29.346 23.737 4.392 1.00 49.49 O ATOM 273 CB VAL A 17 29.873 24.921 7.554 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.630 25.916 8.422 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.472 25.434 7.258 1.00 49.73 C ATOM 0 H VAL A 17 29.800 25.883 4.768 1.00 49.53 H new ATOM 0 HA VAL A 17 31.660 24.412 6.538 1.00 50.07 H new ATOM 0 HB VAL A 17 29.789 23.981 8.099 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.075 26.092 9.343 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.614 25.514 8.663 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.744 26.856 7.883 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.946 25.616 8.195 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.537 26.363 6.692 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.928 24.691 6.675 1.00 49.73 H new ATOM 285 N GLU A 18 30.138 22.351 6.031 1.00 49.53 N ATOM 286 CA GLU A 18 29.507 21.117 5.557 1.00 50.07 C ATOM 287 C GLU A 18 28.654 20.459 6.630 1.00 50.51 C ATOM 288 O GLU A 18 28.825 20.700 7.815 1.00 49.49 O ATOM 289 CB GLU A 18 30.570 20.135 5.061 1.00 49.82 C ATOM 290 CG GLU A 18 31.375 20.628 3.868 1.00 49.72 C ATOM 291 CD GLU A 18 30.533 20.674 2.623 1.00 50.62 C ATOM 292 OE1 GLU A 18 29.841 19.720 2.361 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.497 21.704 1.992 1.00 49.24 O ATOM 0 H GLU A 18 30.729 22.216 6.851 1.00 49.53 H new ATOM 0 HA GLU A 18 28.847 21.388 4.733 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.255 19.916 5.880 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.084 19.197 4.793 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.771 21.621 4.079 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.230 19.972 3.707 1.00 49.72 H new ATOM 300 N PRO A 19 27.707 19.637 6.220 1.00 49.71 N ATOM 301 CA PRO A 19 26.845 18.900 7.146 1.00 50.02 C ATOM 302 C PRO A 19 27.645 18.085 8.132 1.00 50.51 C ATOM 303 O PRO A 19 27.166 17.725 9.216 1.00 49.49 O ATOM 304 CB PRO A 19 26.010 17.989 6.220 1.00 49.82 C ATOM 305 CG PRO A 19 25.944 18.776 4.952 1.00 49.82 C ATOM 306 CD PRO A 19 27.385 19.325 4.804 1.00 50.00 C ATOM 0 HA PRO A 19 26.233 19.563 7.758 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.486 17.020 6.070 1.00 49.82 H new ATOM 0 HB3 PRO A 19 25.018 17.797 6.629 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.661 18.152 4.104 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.211 19.580 5.014 1.00 49.82 H new ATOM 0 HD2 PRO A 19 28.066 18.589 4.377 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.428 20.207 4.166 1.00 50.00 H new ATOM 314 N SER A 20 28.866 17.731 7.767 1.00 49.53 N ATOM 315 CA SER A 20 29.694 16.889 8.647 1.00 50.07 C ATOM 316 C SER A 20 30.653 17.695 9.490 1.00 50.51 C ATOM 317 O SER A 20 31.377 17.088 10.297 1.00 49.49 O ATOM 318 CB SER A 20 30.455 15.872 7.821 1.00 50.05 C ATOM 319 OG SER A 20 31.410 16.476 6.990 1.00 49.34 O ATOM 0 H SER A 20 29.308 18.001 6.889 1.00 49.53 H new ATOM 0 HA SER A 20 29.018 16.379 9.334 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.949 15.163 8.485 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.753 15.302 7.212 1.00 50.05 H new ATOM 0 HG SER A 20 31.879 15.786 6.476 1.00 49.34 H new ATOM 325 N ASP A 21 30.755 18.996 9.206 1.00 49.53 N ATOM 326 CA ASP A 21 31.713 19.798 10.014 1.00 50.07 C ATOM 327 C ASP A 21 31.173 19.819 11.421 1.00 50.51 C ATOM 328 O ASP A 21 30.053 20.307 11.668 1.00 49.49 O ATOM 329 CB ASP A 21 31.851 21.219 9.460 1.00 49.72 C ATOM 330 CG ASP A 21 32.734 21.329 8.225 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.821 20.803 8.247 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.257 21.799 7.219 1.00 49.24 O ATOM 0 H ASP A 21 30.237 19.498 8.484 1.00 49.53 H new ATOM 0 HA ASP A 21 32.710 19.358 9.983 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.859 21.599 9.217 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.257 21.862 10.241 1.00 49.72 H new ATOM 337 N THR A 22 31.998 19.388 12.361 1.00 49.53 N ATOM 338 CA THR A 22 31.661 19.432 13.764 1.00 50.07 C ATOM 339 C THR A 22 31.845 20.841 14.373 1.00 50.51 C ATOM 340 O THR A 22 32.650 21.626 13.863 1.00 49.49 O ATOM 341 CB THR A 22 32.502 18.426 14.573 1.00 50.14 C ATOM 342 OG1 THR A 22 33.868 18.857 14.602 1.00 49.34 O ATOM 343 CG2 THR A 22 32.424 17.042 13.949 1.00 49.73 C ATOM 0 H THR A 22 32.920 18.998 12.167 1.00 49.53 H new ATOM 0 HA THR A 22 30.606 19.164 13.826 1.00 50.07 H new ATOM 0 HB THR A 22 32.107 18.378 15.588 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.402 18.218 15.118 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.024 16.345 14.534 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.387 16.706 13.937 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.805 17.081 12.928 1.00 49.73 H new ATOM 351 N ILE A 23 31.094 21.047 15.456 1.00 49.53 N ATOM 352 CA ILE A 23 31.203 22.287 16.220 1.00 50.07 C ATOM 353 C ILE A 23 32.676 22.514 16.563 1.00 50.51 C ATOM 354 O ILE A 23 33.223 23.623 16.432 1.00 49.49 O ATOM 355 CB ILE A 23 30.371 22.240 17.514 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.875 22.228 17.188 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.714 23.422 18.410 1.00 49.73 C ATOM 358 CD1 ILE A 23 27.987 22.077 18.402 1.00 49.73 C ATOM 0 H ILE A 23 30.413 20.380 15.819 1.00 49.53 H new ATOM 0 HA ILE A 23 30.814 23.105 15.614 1.00 50.07 H new ATOM 0 HB ILE A 23 30.614 21.322 18.049 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.617 23.154 16.674 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.670 21.411 16.496 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.117 23.374 19.321 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.772 23.388 18.668 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.499 24.352 17.884 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.942 22.077 18.091 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.216 21.138 18.905 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.162 22.907 19.086 1.00 49.73 H new ATOM 370 N GLU A 24 33.335 21.475 17.021 1.00 49.53 N ATOM 371 CA GLU A 24 34.802 21.582 17.323 1.00 50.07 C ATOM 372 C GLU A 24 35.531 22.254 16.187 1.00 50.51 C ATOM 373 O GLU A 24 36.327 23.202 16.394 1.00 49.49 O ATOM 374 CB GLU A 24 35.399 20.198 17.588 1.00 49.82 C ATOM 375 CG GLU A 24 36.878 20.209 17.947 1.00 49.72 C ATOM 376 CD GLU A 24 37.444 18.817 17.972 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.705 17.891 17.738 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.637 18.684 18.111 1.00 49.24 O ATOM 0 H GLU A 24 32.923 20.559 17.199 1.00 49.53 H new ATOM 0 HA GLU A 24 34.921 22.190 18.220 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.844 19.726 18.399 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.257 19.579 16.702 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.425 20.814 17.224 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.014 20.677 18.922 1.00 49.72 H new ATOM 385 N ASN A 25 35.318 21.769 14.975 1.00 49.53 N ATOM 386 CA ASN A 25 35.943 22.288 13.752 1.00 50.07 C ATOM 387 C ASN A 25 35.602 23.705 13.298 1.00 50.51 C ATOM 388 O ASN A 25 36.478 24.451 12.814 1.00 49.49 O ATOM 389 CB ASN A 25 35.700 21.336 12.595 1.00 49.82 C ATOM 390 CG ASN A 25 36.428 21.713 11.336 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.651 21.899 11.335 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.675 21.908 10.284 1.00 49.38 N ATOM 0 H ASN A 25 34.691 20.983 14.801 1.00 49.53 H new ATOM 0 HA ASN A 25 36.991 22.356 14.045 1.00 50.07 H new ATOM 0 HB2 ASN A 25 36.004 20.332 12.893 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.631 21.297 12.387 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.093 22.228 9.410 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.670 21.740 10.338 1.00 49.38 H new ATOM 399 N VAL A 26 34.314 24.007 13.386 1.00 49.53 N ATOM 400 CA VAL A 26 33.835 25.336 13.019 1.00 50.07 C ATOM 401 C VAL A 26 34.550 26.402 13.843 1.00 50.51 C ATOM 402 O VAL A 26 34.971 27.439 13.321 1.00 49.49 O ATOM 403 CB VAL A 26 32.314 25.469 13.224 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.893 26.929 13.154 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.563 24.649 12.187 1.00 49.73 C ATOM 0 H VAL A 26 33.590 23.362 13.703 1.00 49.53 H new ATOM 0 HA VAL A 26 34.053 25.479 11.961 1.00 50.07 H new ATOM 0 HB VAL A 26 32.065 25.085 14.213 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.816 27.004 13.301 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.406 27.493 13.933 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.156 27.337 12.178 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.490 24.755 12.347 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.818 25.004 11.188 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.842 23.600 12.281 1.00 49.73 H new ATOM 415 N LYS A 27 34.701 26.128 15.133 1.00 49.53 N ATOM 416 CA LYS A 27 35.370 27.081 16.032 1.00 50.07 C ATOM 417 C LYS A 27 36.816 27.216 15.586 1.00 50.51 C ATOM 418 O LYS A 27 37.375 28.339 15.668 1.00 49.49 O ATOM 419 CB LYS A 27 35.294 26.608 17.484 1.00 49.82 C ATOM 420 CG LYS A 27 33.903 26.687 18.100 1.00 49.82 C ATOM 421 CD LYS A 27 33.852 25.977 19.445 1.00 49.82 C ATOM 422 CE LYS A 27 32.458 26.037 20.050 1.00 50.21 C ATOM 423 NZ LYS A 27 32.386 25.324 21.355 1.00 49.70 N ATOM 0 H LYS A 27 34.378 25.271 15.582 1.00 49.53 H new ATOM 0 HA LYS A 27 34.871 28.049 15.982 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.643 25.577 17.536 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.979 27.207 18.085 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.618 27.731 18.227 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.177 26.239 17.422 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.152 24.937 19.321 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.567 26.436 20.128 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.168 27.078 20.189 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.742 25.596 19.356 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.419 25.389 21.733 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.638 24.324 21.219 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.050 25.760 22.026 1.00 49.70 H new ATOM 437 N ALA A 28 37.437 26.133 15.166 1.00 49.53 N ATOM 438 CA ALA A 28 38.812 26.170 14.652 1.00 50.07 C ATOM 439 C ALA A 28 38.956 26.777 13.268 1.00 50.51 C ATOM 440 O ALA A 28 39.926 27.565 13.004 1.00 49.49 O ATOM 441 CB ALA A 28 39.412 24.752 14.665 1.00 49.73 C ATOM 0 H ALA A 28 37.016 25.204 15.166 1.00 49.53 H new ATOM 0 HA ALA A 28 39.360 26.832 15.323 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.432 24.785 14.283 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.419 24.369 15.686 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.810 24.096 14.036 1.00 49.73 H new ATOM 447 N LYS A 29 38.046 26.501 12.345 1.00 49.53 N ATOM 448 CA LYS A 29 38.082 27.128 11.008 1.00 50.07 C ATOM 449 C LYS A 29 38.029 28.666 11.064 1.00 50.51 C ATOM 450 O LYS A 29 38.609 29.400 10.227 1.00 49.49 O ATOM 451 CB LYS A 29 36.932 26.602 10.148 1.00 49.82 C ATOM 452 CG LYS A 29 36.788 27.294 8.798 1.00 49.82 C ATOM 453 CD LYS A 29 36.048 26.415 7.802 1.00 49.82 C ATOM 454 CE LYS A 29 36.915 25.257 7.331 1.00 50.21 C ATOM 455 NZ LYS A 29 38.148 25.729 6.644 1.00 49.70 N ATOM 0 H LYS A 29 37.272 25.851 12.485 1.00 49.53 H new ATOM 0 HA LYS A 29 39.038 26.856 10.561 1.00 50.07 H new ATOM 0 HB2 LYS A 29 37.077 25.535 9.982 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.000 26.714 10.701 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.252 28.235 8.925 1.00 49.82 H new ATOM 0 HG3 LYS A 29 37.775 27.540 8.406 1.00 49.82 H new ATOM 0 HD2 LYS A 29 35.139 26.027 8.262 1.00 49.82 H new ATOM 0 HD3 LYS A 29 35.741 27.014 6.944 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.190 24.639 8.185 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.341 24.626 6.653 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.522 24.969 6.041 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.923 26.557 6.057 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.862 25.991 7.353 1.00 49.70 H new ATOM 469 N ILE A 30 37.380 29.182 12.109 1.00 49.53 N ATOM 470 CA ILE A 30 37.278 30.645 12.250 1.00 50.07 C ATOM 471 C ILE A 30 38.635 31.133 12.778 1.00 50.51 C ATOM 472 O ILE A 30 39.052 32.270 12.460 1.00 49.49 O ATOM 473 CB ILE A 30 36.159 31.060 13.223 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.786 30.746 12.622 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.269 32.537 13.564 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.632 31.020 13.558 1.00 49.73 C ATOM 0 H ILE A 30 36.931 28.639 12.846 1.00 49.53 H new ATOM 0 HA ILE A 30 37.030 31.089 11.286 1.00 50.07 H new ATOM 0 HB ILE A 30 36.271 30.488 14.144 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.654 31.336 11.715 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.761 29.697 12.327 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.470 32.812 14.253 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.234 32.732 14.032 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.182 33.128 12.652 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.694 30.773 13.061 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.739 30.410 14.455 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.630 32.074 13.834 1.00 49.73 H new ATOM 488 N GLN A 31 39.336 30.325 13.534 1.00 49.53 N ATOM 489 CA GLN A 31 40.665 30.796 14.037 1.00 50.07 C ATOM 490 C GLN A 31 41.539 31.151 12.823 1.00 50.51 C ATOM 491 O GLN A 31 42.318 32.129 12.746 1.00 49.49 O ATOM 492 CB GLN A 31 41.344 29.716 14.883 1.00 49.82 C ATOM 493 CG GLN A 31 42.571 30.197 15.638 1.00 49.82 C ATOM 494 CD GLN A 31 43.362 29.054 16.246 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.039 27.880 16.042 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.401 29.391 17.002 1.00 49.38 N ATOM 0 H GLN A 31 39.058 29.386 13.819 1.00 49.53 H new ATOM 0 HA GLN A 31 40.527 31.671 14.672 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.622 29.323 15.599 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.632 28.889 14.234 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.213 30.760 14.961 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.263 30.882 16.428 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.631 30.375 17.143 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.969 28.666 17.441 1.00 49.38 H new ATOM 505 N ASP A 32 41.441 30.292 11.836 1.00 49.53 N ATOM 506 CA ASP A 32 42.203 30.497 10.583 1.00 50.07 C ATOM 507 C ASP A 32 41.656 31.607 9.711 1.00 50.51 C ATOM 508 O ASP A 32 42.006 31.781 8.520 1.00 49.49 O ATOM 509 CB ASP A 32 42.259 29.194 9.782 1.00 49.72 C ATOM 510 CG ASP A 32 43.092 28.094 10.427 1.00 50.62 C ATOM 511 OD1 ASP A 32 44.269 28.294 10.603 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.518 27.131 10.878 1.00 49.24 O ATOM 0 H ASP A 32 40.859 29.454 11.854 1.00 49.53 H new ATOM 0 HA ASP A 32 43.205 30.803 10.885 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.243 28.826 9.638 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.664 29.407 8.793 1.00 49.72 H new ATOM 517 N LYS A 33 40.720 32.410 10.249 1.00 49.53 N ATOM 518 CA LYS A 33 40.123 33.431 9.345 1.00 50.07 C ATOM 519 C LYS A 33 40.011 34.655 10.184 1.00 50.51 C ATOM 520 O LYS A 33 40.250 35.772 9.608 1.00 49.49 O ATOM 521 CB LYS A 33 38.754 32.987 8.826 1.00 49.82 C ATOM 522 CG LYS A 33 38.809 31.914 7.746 1.00 49.82 C ATOM 523 CD LYS A 33 38.936 32.531 6.361 1.00 49.82 C ATOM 524 CE LYS A 33 39.025 31.460 5.284 1.00 50.21 C ATOM 525 NZ LYS A 33 37.757 30.693 5.155 1.00 49.70 N ATOM 0 H LYS A 33 40.380 32.389 11.210 1.00 49.53 H new ATOM 0 HA LYS A 33 40.731 33.595 8.456 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.165 32.613 9.663 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.229 33.857 8.431 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.655 31.252 7.931 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.909 31.301 7.793 1.00 49.82 H new ATOM 0 HD2 LYS A 33 38.078 33.174 6.167 1.00 49.82 H new ATOM 0 HD3 LYS A 33 39.823 33.163 6.322 1.00 49.82 H new ATOM 0 HE2 LYS A 33 39.266 31.926 4.328 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.840 30.776 5.519 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 37.818 30.056 4.335 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 37.601 30.133 6.017 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 36.964 31.353 5.022 1.00 49.70 H new ATOM 539 N GLU A 34 39.829 34.619 11.474 1.00 49.53 N ATOM 540 CA GLU A 34 39.717 35.776 12.334 1.00 50.07 C ATOM 541 C GLU A 34 40.942 35.876 13.209 1.00 50.51 C ATOM 542 O GLU A 34 41.630 36.901 13.180 1.00 49.49 O ATOM 543 CB GLU A 34 38.453 35.694 13.192 1.00 49.82 C ATOM 544 CG GLU A 34 38.391 36.714 14.319 1.00 49.72 C ATOM 545 CD GLU A 34 38.114 38.094 13.793 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.728 38.208 12.654 1.00 49.24 O ATOM 547 OE2 GLU A 34 38.181 39.025 14.560 1.00 49.24 O ATOM 0 H GLU A 34 39.750 33.740 11.985 1.00 49.53 H new ATOM 0 HA GLU A 34 39.645 36.670 11.714 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.583 35.828 12.549 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.383 34.694 13.619 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.613 36.430 15.027 1.00 49.72 H new ATOM 0 HG3 GLU A 34 39.334 36.713 14.865 1.00 49.72 H new ATOM 554 N GLY A 35 41.182 34.878 14.044 1.00 49.53 N ATOM 555 CA GLY A 35 42.355 34.824 14.876 1.00 49.98 C ATOM 556 C GLY A 35 41.951 34.460 16.249 1.00 50.51 C ATOM 557 O GLY A 35 42.760 34.605 17.204 1.00 49.49 O ATOM 0 H GLY A 35 40.558 34.080 14.158 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.062 34.092 14.484 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.862 35.789 14.876 1.00 49.98 H new ATOM 561 N ILE A 36 40.761 33.856 16.416 1.00 49.53 N ATOM 562 CA ILE A 36 40.342 33.479 17.774 1.00 50.07 C ATOM 563 C ILE A 36 40.466 32.009 18.139 1.00 50.51 C ATOM 564 O ILE A 36 39.866 31.139 17.484 1.00 49.49 O ATOM 565 CB ILE A 36 38.888 33.915 18.035 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.728 35.417 17.782 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.473 33.563 19.454 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.293 35.854 17.598 1.00 49.73 C ATOM 0 H ILE A 36 40.104 33.628 15.670 1.00 49.53 H new ATOM 0 HA ILE A 36 41.054 34.007 18.408 1.00 50.07 H new ATOM 0 HB ILE A 36 38.236 33.379 17.346 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.161 35.965 18.619 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.298 35.689 16.894 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.443 33.878 19.621 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.551 32.485 19.599 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.127 34.072 20.161 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.260 36.929 17.423 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.861 35.334 16.743 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.722 35.614 18.495 1.00 49.73 H new ATOM 580 N PRO A 37 41.219 31.712 19.192 1.00 49.71 N ATOM 581 CA PRO A 37 41.404 30.336 19.687 1.00 50.02 C ATOM 582 C PRO A 37 40.069 29.695 20.019 1.00 50.51 C ATOM 583 O PRO A 37 39.233 30.369 20.676 1.00 49.49 O ATOM 584 CB PRO A 37 42.202 30.609 20.998 1.00 49.82 C ATOM 585 CG PRO A 37 42.995 31.840 20.673 1.00 49.82 C ATOM 586 CD PRO A 37 41.956 32.727 20.002 1.00 50.00 C ATOM 0 HA PRO A 37 41.887 29.664 18.978 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.537 30.772 21.846 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.849 29.771 21.256 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.410 32.305 21.568 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.832 31.621 20.010 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.312 33.230 20.723 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.409 33.502 19.384 1.00 50.00 H new ATOM 594 N PRO A 38 39.855 28.455 19.655 1.00 49.71 N ATOM 595 CA PRO A 38 38.568 27.800 19.942 1.00 50.02 C ATOM 596 C PRO A 38 38.216 27.790 21.405 1.00 50.51 C ATOM 597 O PRO A 38 37.021 27.852 21.805 1.00 49.49 O ATOM 598 CB PRO A 38 38.719 26.420 19.309 1.00 49.82 C ATOM 599 CG PRO A 38 39.698 26.673 18.165 1.00 49.82 C ATOM 600 CD PRO A 38 40.742 27.571 18.859 1.00 50.00 C ATOM 0 HA PRO A 38 37.716 28.337 19.524 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.108 25.690 20.019 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.766 26.035 18.947 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.136 25.750 17.786 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.223 27.171 17.320 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.428 27.001 19.485 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.349 28.128 18.145 1.00 50.00 H new ATOM 608 N ASP A 39 39.193 27.719 22.275 1.00 49.53 N ATOM 609 CA ASP A 39 38.922 27.648 23.737 1.00 50.07 C ATOM 610 C ASP A 39 38.154 28.840 24.294 1.00 50.51 C ATOM 611 O ASP A 39 37.340 28.737 25.252 1.00 49.49 O ATOM 612 CB ASP A 39 40.235 27.483 24.506 1.00 49.72 C ATOM 613 CG ASP A 39 41.213 28.637 24.336 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.031 29.416 23.430 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.038 28.822 25.199 1.00 49.24 O ATOM 0 H ASP A 39 40.182 27.707 22.026 1.00 49.53 H new ATOM 0 HA ASP A 39 38.278 26.780 23.874 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.009 27.368 25.566 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.719 26.562 24.181 1.00 49.72 H new ATOM 620 N GLN A 40 38.303 29.990 23.658 1.00 49.53 N ATOM 621 CA GLN A 40 37.565 31.188 24.124 1.00 50.07 C ATOM 622 C GLN A 40 36.161 31.334 23.507 1.00 50.51 C ATOM 623 O GLN A 40 35.354 32.086 24.042 1.00 49.49 O ATOM 624 CB GLN A 40 38.377 32.452 23.832 1.00 49.82 C ATOM 625 CG GLN A 40 39.594 32.630 24.724 1.00 49.82 C ATOM 626 CD GLN A 40 40.496 33.757 24.256 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.542 34.022 24.853 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.092 34.429 23.185 1.00 49.38 N ATOM 0 H GLN A 40 38.902 30.135 22.845 1.00 49.53 H new ATOM 0 HA GLN A 40 37.426 31.055 25.197 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.703 32.429 22.792 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.728 33.321 23.944 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.267 32.830 25.744 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.162 31.700 24.748 1.00 49.82 H new ATOM 0 HE21 GLN A 40 39.219 34.175 22.723 1.00 49.38 H new ATOM 0 HE22 GLN A 40 40.655 35.200 22.824 1.00 49.38 H new ATOM 637 N GLN A 41 35.879 30.617 22.442 1.00 49.53 N ATOM 638 CA GLN A 41 34.622 30.695 21.738 1.00 50.07 C ATOM 639 C GLN A 41 33.482 29.817 22.206 1.00 50.51 C ATOM 640 O GLN A 41 33.436 28.605 22.054 1.00 49.49 O ATOM 641 CB GLN A 41 34.858 30.424 20.249 1.00 49.82 C ATOM 642 CG GLN A 41 35.721 31.464 19.556 1.00 49.82 C ATOM 643 CD GLN A 41 35.878 31.190 18.073 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.003 31.525 17.269 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.995 30.575 17.700 1.00 49.38 N ATOM 0 H GLN A 41 36.533 29.949 22.034 1.00 49.53 H new ATOM 0 HA GLN A 41 34.283 31.708 21.956 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.328 29.447 20.139 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.894 30.373 19.743 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.279 32.450 19.696 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.705 31.486 20.025 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.692 30.316 18.398 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.156 30.362 16.715 1.00 49.38 H new ATOM 654 N ARG A 42 32.411 30.481 22.637 1.00 49.53 N ATOM 655 CA ARG A 42 31.137 29.771 22.970 1.00 50.07 C ATOM 656 C ARG A 42 30.170 30.109 21.857 1.00 50.51 C ATOM 657 O ARG A 42 30.135 31.346 21.473 1.00 49.49 O ATOM 658 CB ARG A 42 30.595 30.136 24.344 1.00 49.82 C ATOM 659 CG ARG A 42 29.563 29.168 24.903 1.00 49.82 C ATOM 660 CD ARG A 42 29.247 29.372 26.340 1.00 50.20 C ATOM 661 NE ARG A 42 28.450 30.557 26.618 1.00 49.30 N ATOM 662 CZ ARG A 42 28.338 31.135 27.831 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.936 30.622 28.884 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.590 32.219 27.938 1.00 49.20 N ATOM 0 H ARG A 42 32.380 31.492 22.768 1.00 49.53 H new ATOM 0 HA ARG A 42 31.302 28.695 23.033 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.429 30.198 25.043 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.149 31.129 24.291 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.644 29.261 24.324 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.925 28.149 24.764 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.715 28.496 26.710 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.180 29.438 26.899 1.00 50.20 H new ATOM 0 HE ARG A 42 27.941 30.980 25.842 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.495 29.774 28.790 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.841 31.072 29.794 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.117 32.595 27.116 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.485 32.679 28.842 1.00 49.20 H new ATOM 678 N LEU A 43 29.474 29.133 21.275 1.00 49.53 N ATOM 679 CA LEU A 43 28.557 29.418 20.142 1.00 50.07 C ATOM 680 C LEU A 43 27.188 29.253 20.794 1.00 50.51 C ATOM 681 O LEU A 43 27.005 28.305 21.569 1.00 49.49 O ATOM 682 CB LEU A 43 28.766 28.430 18.988 1.00 49.82 C ATOM 683 CG LEU A 43 30.169 28.439 18.367 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.206 27.527 17.148 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.549 29.862 17.988 1.00 49.73 C ATOM 0 H LEU A 43 29.517 28.153 21.553 1.00 49.53 H new ATOM 0 HA LEU A 43 28.706 30.398 19.688 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.552 27.424 19.349 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.039 28.650 18.206 1.00 49.82 H new ATOM 0 HG LEU A 43 30.891 28.066 19.094 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.206 27.540 16.714 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.953 26.510 17.447 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.485 27.878 16.409 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.546 29.867 17.547 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.831 30.250 17.266 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.543 30.490 18.879 1.00 49.73 H new ATOM 697 N ILE A 44 26.307 30.214 20.538 1.00 49.53 N ATOM 698 CA ILE A 44 24.969 30.240 21.120 1.00 50.07 C ATOM 699 C ILE A 44 23.841 30.314 20.098 1.00 50.51 C ATOM 700 O ILE A 44 23.906 31.015 19.108 1.00 49.49 O ATOM 701 CB ILE A 44 24.817 31.414 22.103 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.791 31.260 23.274 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.385 31.504 22.608 1.00 49.73 C ATOM 704 CD1 ILE A 44 26.975 32.199 23.211 1.00 49.73 C ATOM 0 H ILE A 44 26.501 31.001 19.918 1.00 49.53 H new ATOM 0 HA ILE A 44 24.875 29.285 21.638 1.00 50.07 H new ATOM 0 HB ILE A 44 25.054 32.338 21.577 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.253 31.431 24.207 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.155 30.233 23.299 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.296 32.340 23.302 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.711 31.659 21.765 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.121 30.578 23.119 1.00 49.73 H new ATOM 0 HD11 ILE A 44 27.619 32.030 24.074 1.00 49.73 H new ATOM 0 HD12 ILE A 44 27.538 32.014 22.296 1.00 49.73 H new ATOM 0 HD13 ILE A 44 26.622 33.230 23.218 1.00 49.73 H new ATOM 716 N PHE A 45 22.797 29.480 20.346 1.00 49.53 N ATOM 717 CA PHE A 45 21.603 29.463 19.487 1.00 50.07 C ATOM 718 C PHE A 45 20.404 29.312 20.442 1.00 50.51 C ATOM 719 O PHE A 45 20.208 28.287 21.095 1.00 49.49 O ATOM 720 CB PHE A 45 21.658 28.310 18.484 1.00 49.82 C ATOM 721 CG PHE A 45 20.412 28.166 17.657 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.023 29.170 16.783 1.00 49.88 C ATOM 723 CD2 PHE A 45 19.628 27.026 17.751 1.00 49.88 C ATOM 724 CE1 PHE A 45 18.877 29.039 16.021 1.00 49.88 C ATOM 725 CE2 PHE A 45 18.482 26.892 16.990 1.00 49.88 C ATOM 726 CZ PHE A 45 18.106 27.900 16.124 1.00 49.88 C ATOM 0 H PHE A 45 22.766 28.822 21.125 1.00 49.53 H new ATOM 0 HA PHE A 45 21.528 30.374 18.893 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.509 28.459 17.819 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.834 27.379 19.024 1.00 49.82 H new ATOM 0 HD1 PHE A 45 20.622 30.064 16.697 1.00 49.88 H new ATOM 0 HD2 PHE A 45 19.916 26.234 18.426 1.00 49.88 H new ATOM 0 HE1 PHE A 45 18.585 29.829 15.345 1.00 49.88 H new ATOM 0 HE2 PHE A 45 17.880 25.999 17.073 1.00 49.88 H new ATOM 0 HZ PHE A 45 17.211 27.797 15.529 1.00 49.88 H new ATOM 736 N ALA A 46 19.647 30.381 20.461 1.00 49.53 N ATOM 737 CA ALA A 46 18.403 30.478 21.250 1.00 50.07 C ATOM 738 C ALA A 46 18.720 30.156 22.703 1.00 50.51 C ATOM 739 O ALA A 46 17.957 29.475 23.403 1.00 49.49 O ATOM 740 CB ALA A 46 17.360 29.551 20.710 1.00 49.73 C ATOM 0 H ALA A 46 19.862 31.226 19.931 1.00 49.53 H new ATOM 0 HA ALA A 46 18.004 31.490 21.183 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.452 29.639 21.306 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.141 29.813 19.675 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.726 28.525 20.755 1.00 49.73 H new ATOM 746 N GLY A 47 19.831 30.676 23.136 1.00 49.53 N ATOM 747 CA GLY A 47 20.420 30.562 24.437 1.00 49.98 C ATOM 748 C GLY A 47 21.027 29.225 24.776 1.00 50.51 C ATOM 749 O GLY A 47 21.544 29.049 25.902 1.00 49.49 O ATOM 0 H GLY A 47 20.407 31.251 22.521 1.00 49.53 H new ATOM 0 HA2 GLY A 47 21.194 31.324 24.531 1.00 49.98 H new ATOM 0 HA3 GLY A 47 19.656 30.790 25.180 1.00 49.98 H new ATOM 753 N LYS A 48 21.038 28.303 23.853 1.00 49.53 N ATOM 754 CA LYS A 48 21.650 26.984 24.060 1.00 50.07 C ATOM 755 C LYS A 48 23.185 26.963 23.953 1.00 50.51 C ATOM 756 O LYS A 48 23.700 27.393 22.932 1.00 49.49 O ATOM 757 CB LYS A 48 21.056 25.974 23.076 1.00 49.82 C ATOM 758 CG LYS A 48 19.649 25.508 23.425 1.00 49.82 C ATOM 759 CD LYS A 48 19.003 24.777 22.258 1.00 49.82 C ATOM 760 CE LYS A 48 17.582 24.347 22.590 1.00 50.21 C ATOM 761 NZ LYS A 48 16.931 23.649 21.448 1.00 49.70 N ATOM 0 H LYS A 48 20.627 28.428 22.928 1.00 49.53 H new ATOM 0 HA LYS A 48 21.418 26.713 25.090 1.00 50.07 H new ATOM 0 HB2 LYS A 48 21.042 26.420 22.081 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.712 25.105 23.026 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.687 24.850 24.293 1.00 49.82 H new ATOM 0 HG3 LYS A 48 19.038 26.367 23.702 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.993 25.425 21.382 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.599 23.901 22.001 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.596 23.688 23.458 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.993 25.222 22.864 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.965 23.373 21.715 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.894 24.286 20.627 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.479 22.800 21.203 1.00 49.70 H new ATOM 775 N GLN A 49 23.860 26.471 24.958 1.00 49.53 N ATOM 776 CA GLN A 49 25.339 26.314 24.862 1.00 50.07 C ATOM 777 C GLN A 49 25.620 25.109 23.970 1.00 50.51 C ATOM 778 O GLN A 49 25.012 24.031 24.204 1.00 49.49 O ATOM 779 CB GLN A 49 25.959 26.109 26.247 1.00 49.82 C ATOM 780 CG GLN A 49 25.706 27.249 27.218 1.00 49.82 C ATOM 781 CD GLN A 49 24.332 27.172 27.855 1.00 50.55 C ATOM 782 OE1 GLN A 49 23.793 26.082 28.074 1.00 49.45 O ATOM 783 NE2 GLN A 49 23.754 28.330 28.155 1.00 49.38 N ATOM 0 H GLN A 49 23.449 26.171 25.842 1.00 49.53 H new ATOM 0 HA GLN A 49 25.783 27.215 24.439 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.566 25.187 26.676 1.00 49.82 H new ATOM 0 HB3 GLN A 49 27.035 25.974 26.135 1.00 49.82 H new ATOM 0 HG2 GLN A 49 26.467 27.233 27.999 1.00 49.82 H new ATOM 0 HG3 GLN A 49 25.807 28.199 26.693 1.00 49.82 H new ATOM 0 HE21 GLN A 49 24.236 29.207 27.957 1.00 49.38 H new ATOM 0 HE22 GLN A 49 22.829 28.342 28.584 1.00 49.38 H new ATOM 792 N LEU A 50 26.443 25.270 22.962 1.00 49.53 N ATOM 793 CA LEU A 50 26.718 24.201 21.987 1.00 50.07 C ATOM 794 C LEU A 50 27.969 23.408 22.325 1.00 50.51 C ATOM 795 O LEU A 50 29.019 24.015 22.404 1.00 49.49 O ATOM 796 CB LEU A 50 26.834 24.794 20.578 1.00 49.82 C ATOM 797 CG LEU A 50 25.530 24.815 19.768 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.362 25.182 20.673 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.658 25.807 18.623 1.00 49.73 C ATOM 0 H LEU A 50 26.948 26.137 22.780 1.00 49.53 H new ATOM 0 HA LEU A 50 25.880 23.506 22.028 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.208 25.814 20.660 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.579 24.225 20.022 1.00 49.82 H new ATOM 0 HG LEU A 50 25.343 23.825 19.353 1.00 49.91 H new ATOM 0 HD11 LEU A 50 23.441 25.195 20.091 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.276 24.446 21.472 1.00 49.73 H new ATOM 0 HD13 LEU A 50 24.532 26.168 21.105 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.732 25.821 18.049 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.852 26.802 19.024 1.00 49.73 H new ATOM 0 HD23 LEU A 50 26.482 25.510 17.975 1.00 49.73 H new ATOM 811 N GLU A 51 27.843 22.086 22.445 1.00 49.53 N ATOM 812 CA GLU A 51 29.003 21.251 22.823 1.00 50.07 C ATOM 813 C GLU A 51 29.643 20.456 21.717 1.00 50.51 C ATOM 814 O GLU A 51 28.928 19.853 20.921 1.00 49.49 O ATOM 815 CB GLU A 51 28.607 20.302 23.955 1.00 49.82 C ATOM 816 CG GLU A 51 28.262 20.995 25.265 1.00 49.72 C ATOM 817 CD GLU A 51 27.624 20.041 26.236 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.207 19.019 26.506 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.609 20.385 26.795 1.00 49.24 O ATOM 0 H GLU A 51 26.975 21.572 22.292 1.00 49.53 H new ATOM 0 HA GLU A 51 29.763 21.969 23.131 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.749 19.711 23.634 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.426 19.605 24.132 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.166 21.415 25.706 1.00 49.72 H new ATOM 0 HG3 GLU A 51 27.585 21.827 25.071 1.00 49.72 H new ATOM 826 N ASP A 52 30.949 20.417 21.618 1.00 49.53 N ATOM 827 CA ASP A 52 31.713 19.767 20.559 1.00 50.07 C ATOM 828 C ASP A 52 31.324 18.395 20.037 1.00 50.51 C ATOM 829 O ASP A 52 31.573 18.116 18.830 1.00 49.49 O ATOM 830 CB ASP A 52 33.186 19.714 20.974 1.00 49.72 C ATOM 831 CG ASP A 52 33.772 21.059 21.383 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.576 22.013 20.667 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.273 21.157 22.477 1.00 49.24 O ATOM 0 H ASP A 52 31.551 20.862 22.311 1.00 49.53 H new ATOM 0 HA ASP A 52 31.476 20.407 19.709 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.292 19.017 21.805 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.770 19.313 20.146 1.00 49.72 H new ATOM 838 N GLY A 53 30.851 17.522 20.898 1.00 49.53 N ATOM 839 CA GLY A 53 30.484 16.135 20.562 1.00 49.98 C ATOM 840 C GLY A 53 29.356 16.031 19.589 1.00 50.51 C ATOM 841 O GLY A 53 29.362 15.159 18.691 1.00 49.49 O ATOM 0 H GLY A 53 30.701 17.748 21.881 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.356 15.628 20.149 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.212 15.609 21.477 1.00 49.98 H new ATOM 845 N ARG A 54 28.390 16.942 19.617 1.00 49.53 N ATOM 846 CA ARG A 54 27.284 16.950 18.640 1.00 50.07 C ATOM 847 C ARG A 54 27.613 17.754 17.390 1.00 50.51 C ATOM 848 O ARG A 54 28.097 18.902 17.484 1.00 49.49 O ATOM 849 CB ARG A 54 25.976 17.414 19.263 1.00 49.82 C ATOM 850 CG ARG A 54 25.335 16.420 20.219 1.00 49.82 C ATOM 851 CD ARG A 54 24.236 16.984 21.044 1.00 50.20 C ATOM 852 NE ARG A 54 23.049 17.357 20.291 1.00 49.30 N ATOM 853 CZ ARG A 54 21.984 17.999 20.810 1.00 50.64 C ATOM 854 NH1 ARG A 54 21.936 18.309 22.087 1.00 49.20 N ATOM 855 NH2 ARG A 54 20.976 18.289 20.005 1.00 49.20 N ATOM 0 H ARG A 54 28.342 17.693 20.306 1.00 49.53 H new ATOM 0 HA ARG A 54 27.152 15.914 18.327 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.156 18.347 19.798 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.268 17.636 18.464 1.00 49.82 H new ATOM 0 HG2 ARG A 54 24.947 15.580 19.644 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.104 16.024 20.882 1.00 49.82 H new ATOM 0 HD2 ARG A 54 23.955 16.253 21.802 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.608 17.863 21.571 1.00 50.20 H new ATOM 0 HE ARG A 54 23.021 17.116 19.300 1.00 49.30 H new ATOM 0 HH11 ARG A 54 22.713 18.063 22.701 1.00 49.20 H new ATOM 0 HH12 ARG A 54 21.122 18.795 22.464 1.00 49.20 H new ATOM 0 HH21 ARG A 54 21.018 18.027 19.020 1.00 49.20 H new ATOM 0 HH22 ARG A 54 20.156 18.774 20.369 1.00 49.20 H new ATOM 869 N THR A 55 27.276 17.219 16.243 1.00 49.53 N ATOM 870 CA THR A 55 27.462 17.883 14.933 1.00 50.07 C ATOM 871 C THR A 55 26.375 18.954 14.682 1.00 50.51 C ATOM 872 O THR A 55 25.413 19.048 15.438 1.00 49.49 O ATOM 873 CB THR A 55 27.441 16.865 13.777 1.00 50.14 C ATOM 874 OG1 THR A 55 26.217 16.120 13.816 1.00 49.34 O ATOM 875 CG2 THR A 55 28.618 15.908 13.887 1.00 49.73 C ATOM 0 H THR A 55 26.855 16.293 16.169 1.00 49.53 H new ATOM 0 HA THR A 55 28.438 18.366 14.965 1.00 50.07 H new ATOM 0 HB THR A 55 27.515 17.407 12.834 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.676 16.420 14.576 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.587 15.196 13.062 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.550 16.471 13.845 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.562 15.370 14.833 1.00 49.73 H new ATOM 883 N LEU A 56 26.560 19.715 13.623 1.00 49.53 N ATOM 884 CA LEU A 56 25.589 20.741 13.209 1.00 50.07 C ATOM 885 C LEU A 56 24.174 20.275 12.877 1.00 50.51 C ATOM 886 O LEU A 56 23.249 20.938 13.259 1.00 49.49 O ATOM 887 CB LEU A 56 26.155 21.519 12.014 1.00 49.82 C ATOM 888 CG LEU A 56 27.254 22.532 12.356 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.983 22.961 11.089 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.637 23.735 13.056 1.00 49.73 C ATOM 0 H LEU A 56 27.379 19.651 13.019 1.00 49.53 H new ATOM 0 HA LEU A 56 25.463 21.357 14.099 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.552 20.806 11.292 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.337 22.046 11.524 1.00 49.82 H new ATOM 0 HG LEU A 56 27.979 22.069 13.026 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.761 23.680 11.343 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.435 22.089 10.616 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.275 23.421 10.400 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.419 24.455 13.299 1.00 49.73 H new ATOM 0 HD22 LEU A 56 25.905 24.203 12.398 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.145 23.410 13.973 1.00 49.73 H new ATOM 902 N SER A 57 24.048 19.110 12.208 1.00 49.53 N ATOM 903 CA SER A 57 22.674 18.661 11.875 1.00 50.07 C ATOM 904 C SER A 57 21.885 18.367 13.132 1.00 50.51 C ATOM 905 O SER A 57 20.661 18.688 13.210 1.00 49.49 O ATOM 906 CB SER A 57 22.725 17.436 10.982 1.00 50.05 C ATOM 907 OG SER A 57 23.470 16.397 11.556 1.00 49.34 O ATOM 0 H SER A 57 24.810 18.503 11.906 1.00 49.53 H new ATOM 0 HA SER A 57 22.170 19.465 11.339 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.711 17.089 10.785 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.161 17.706 10.021 1.00 50.05 H new ATOM 0 HG SER A 57 23.477 15.626 10.951 1.00 49.34 H new ATOM 913 N ASP A 58 22.537 17.801 14.132 1.00 49.53 N ATOM 914 CA ASP A 58 21.860 17.474 15.415 1.00 50.07 C ATOM 915 C ASP A 58 21.041 18.590 16.070 1.00 50.51 C ATOM 916 O ASP A 58 20.015 18.366 16.720 1.00 49.49 O ATOM 917 CB ASP A 58 22.890 16.957 16.421 1.00 49.72 C ATOM 918 CG ASP A 58 23.503 15.610 16.059 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.774 14.651 15.976 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.661 15.581 15.716 1.00 49.24 O ATOM 0 H ASP A 58 23.526 17.553 14.101 1.00 49.53 H new ATOM 0 HA ASP A 58 21.125 16.718 15.139 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.689 17.692 16.515 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.415 16.875 17.399 1.00 49.72 H new ATOM 925 N TYR A 59 21.608 19.762 16.075 1.00 49.53 N ATOM 926 CA TYR A 59 20.998 20.967 16.633 1.00 50.07 C ATOM 927 C TYR A 59 19.910 21.480 15.717 1.00 50.51 C ATOM 928 O TYR A 59 19.140 22.355 16.161 1.00 49.49 O ATOM 929 CB TYR A 59 22.055 22.051 16.857 1.00 49.82 C ATOM 930 CG TYR A 59 22.943 21.803 18.058 1.00 50.00 C ATOM 931 CD1 TYR A 59 24.063 20.992 17.959 1.00 49.88 C ATOM 932 CD2 TYR A 59 22.657 22.384 19.284 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.877 20.762 19.052 1.00 49.88 C ATOM 934 CE2 TYR A 59 23.464 22.162 20.383 1.00 49.88 C ATOM 935 CZ TYR A 59 24.573 21.349 20.263 1.00 50.11 C ATOM 936 OH TYR A 59 25.380 21.126 21.355 1.00 49.46 O ATOM 0 H TYR A 59 22.535 19.926 15.683 1.00 49.53 H new ATOM 0 HA TYR A 59 20.554 20.712 17.595 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.678 22.127 15.966 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.555 23.012 16.979 1.00 49.82 H new ATOM 0 HD1 TYR A 59 24.303 20.532 17.012 1.00 49.88 H new ATOM 0 HD2 TYR A 59 21.790 23.020 19.381 1.00 49.88 H new ATOM 0 HE1 TYR A 59 25.745 20.127 18.959 1.00 49.88 H new ATOM 0 HE2 TYR A 59 23.228 22.622 21.331 1.00 49.88 H new ATOM 0 HH TYR A 59 25.966 20.361 21.178 1.00 49.46 H new ATOM 946 N ASN A 60 19.704 20.948 14.531 1.00 49.53 N ATOM 947 CA ASN A 60 18.628 21.480 13.669 1.00 50.07 C ATOM 948 C ASN A 60 18.895 22.855 13.071 1.00 50.51 C ATOM 949 O ASN A 60 17.978 23.689 12.933 1.00 49.49 O ATOM 950 CB ASN A 60 17.305 21.502 14.412 1.00 49.82 C ATOM 951 CG ASN A 60 16.746 20.135 14.694 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.016 19.170 13.969 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.905 20.063 15.694 1.00 49.38 N ATOM 0 H ASN A 60 20.238 20.174 14.136 1.00 49.53 H new ATOM 0 HA ASN A 60 18.589 20.790 12.826 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.437 22.032 15.355 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.580 22.068 13.827 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.438 19.181 15.905 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.717 20.889 16.262 1.00 49.38 H new ATOM 960 N ILE A 61 20.116 23.089 12.637 1.00 49.53 N ATOM 961 CA ILE A 61 20.465 24.369 11.950 1.00 50.07 C ATOM 962 C ILE A 61 19.833 24.418 10.562 1.00 50.51 C ATOM 963 O ILE A 61 20.296 23.583 9.729 1.00 49.49 O ATOM 964 CB ILE A 61 21.989 24.549 11.822 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.663 24.387 13.187 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.316 25.906 11.220 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.376 25.519 14.146 1.00 49.73 C ATOM 0 H ILE A 61 20.892 22.435 12.734 1.00 49.53 H new ATOM 0 HA ILE A 61 20.073 25.181 12.562 1.00 50.07 H new ATOM 0 HB ILE A 61 22.374 23.777 11.155 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.333 23.450 13.636 1.00 49.82 H new ATOM 0 HG13 ILE A 61 23.741 24.309 13.043 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.397 26.016 11.137 1.00 49.73 H new ATOM 0 HG22 ILE A 61 21.866 25.983 10.230 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.919 26.693 11.861 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.887 25.334 15.091 1.00 49.73 H new ATOM 0 HD12 ILE A 61 22.731 26.457 13.719 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.302 25.584 14.321 1.00 49.73 H new ATOM 979 N GLN A 62 18.861 25.258 10.346 1.00 49.53 N ATOM 980 CA GLN A 62 18.120 25.349 9.055 1.00 50.07 C ATOM 981 C GLN A 62 18.715 26.330 8.041 1.00 50.51 C ATOM 982 O GLN A 62 19.691 27.032 8.362 1.00 49.49 O ATOM 983 CB GLN A 62 16.659 25.727 9.317 1.00 49.82 C ATOM 984 CG GLN A 62 15.921 24.763 10.229 1.00 49.82 C ATOM 985 CD GLN A 62 14.502 25.214 10.520 1.00 50.55 C ATOM 986 OE1 GLN A 62 14.009 26.179 9.931 1.00 49.45 O ATOM 987 NE2 GLN A 62 13.838 24.519 11.436 1.00 49.38 N ATOM 0 H GLN A 62 18.534 25.920 11.050 1.00 49.53 H new ATOM 0 HA GLN A 62 18.202 24.359 8.606 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.627 26.723 9.758 1.00 49.82 H new ATOM 0 HB3 GLN A 62 16.133 25.783 8.364 1.00 49.82 H new ATOM 0 HG2 GLN A 62 15.898 23.776 9.767 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.467 24.664 11.167 1.00 49.82 H new ATOM 0 HE21 GLN A 62 14.285 23.727 11.899 1.00 49.38 H new ATOM 0 HE22 GLN A 62 12.881 24.777 11.677 1.00 49.38 H new ATOM 996 N LYS A 63 18.168 26.373 6.827 1.00 49.53 N ATOM 997 CA LYS A 63 18.684 27.211 5.768 1.00 50.07 C ATOM 998 C LYS A 63 18.639 28.697 6.113 1.00 50.51 C ATOM 999 O LYS A 63 17.600 29.302 6.326 1.00 49.49 O ATOM 1000 CB LYS A 63 17.916 26.956 4.470 1.00 49.82 C ATOM 1001 CG LYS A 63 18.594 27.502 3.220 1.00 49.82 C ATOM 1002 CD LYS A 63 17.862 27.067 1.959 1.00 49.82 C ATOM 1003 CE LYS A 63 16.529 27.788 1.816 1.00 50.21 C ATOM 1004 NZ LYS A 63 16.708 29.244 1.568 1.00 49.70 N ATOM 0 H LYS A 63 17.352 25.823 6.559 1.00 49.53 H new ATOM 0 HA LYS A 63 19.732 26.943 5.638 1.00 50.07 H new ATOM 0 HB2 LYS A 63 17.774 25.882 4.351 1.00 49.82 H new ATOM 0 HB3 LYS A 63 16.925 27.402 4.555 1.00 49.82 H new ATOM 0 HG2 LYS A 63 18.626 28.591 3.267 1.00 49.82 H new ATOM 0 HG3 LYS A 63 19.626 27.154 3.182 1.00 49.82 H new ATOM 0 HD2 LYS A 63 18.483 27.271 1.087 1.00 49.82 H new ATOM 0 HD3 LYS A 63 17.694 25.990 1.987 1.00 49.82 H new ATOM 0 HE2 LYS A 63 15.964 27.347 0.995 1.00 50.21 H new ATOM 0 HE3 LYS A 63 15.940 27.644 2.722 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 15.818 29.647 1.212 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 16.972 29.717 2.456 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.459 29.386 0.863 1.00 49.70 H new ATOM 1018 N GLU A 64 19.861 29.237 6.223 1.00 49.53 N ATOM 1019 CA GLU A 64 20.137 30.615 6.529 1.00 50.07 C ATOM 1020 C GLU A 64 20.027 30.897 7.998 1.00 50.51 C ATOM 1021 O GLU A 64 19.566 31.979 8.441 1.00 49.49 O ATOM 1022 CB GLU A 64 19.193 31.533 5.750 1.00 49.82 C ATOM 1023 CG GLU A 64 19.088 31.213 4.265 1.00 49.72 C ATOM 1024 CD GLU A 64 20.312 31.668 3.520 1.00 50.62 C ATOM 1025 OE1 GLU A 64 21.102 32.381 4.092 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.516 31.213 2.420 1.00 49.24 O ATOM 0 H GLU A 64 20.710 28.686 6.092 1.00 49.53 H new ATOM 0 HA GLU A 64 21.166 30.813 6.229 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.199 31.473 6.193 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.531 32.563 5.864 1.00 49.82 H new ATOM 0 HG2 GLU A 64 18.956 30.139 4.131 1.00 49.72 H new ATOM 0 HG3 GLU A 64 18.205 31.697 3.848 1.00 49.72 H new ATOM 1033 N SER A 65 20.594 29.992 8.781 1.00 49.53 N ATOM 1034 CA SER A 65 20.698 30.130 10.239 1.00 50.07 C ATOM 1035 C SER A 65 21.926 31.011 10.571 1.00 50.51 C ATOM 1036 O SER A 65 22.955 30.910 9.914 1.00 49.49 O ATOM 1037 CB SER A 65 20.817 28.768 10.894 1.00 50.05 C ATOM 1038 OG SER A 65 20.855 28.858 12.292 1.00 49.34 O ATOM 0 H SER A 65 21.002 29.128 8.425 1.00 49.53 H new ATOM 0 HA SER A 65 19.798 30.605 10.628 1.00 50.07 H new ATOM 0 HB2 SER A 65 19.973 28.147 10.594 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.720 28.273 10.538 1.00 50.05 H new ATOM 0 HG SER A 65 20.323 28.133 12.681 1.00 49.34 H new ATOM 1044 N THR A 66 21.793 31.865 11.552 1.00 49.53 N ATOM 1045 CA THR A 66 22.899 32.701 12.032 1.00 50.07 C ATOM 1046 C THR A 66 23.207 32.088 13.397 1.00 50.51 C ATOM 1047 O THR A 66 22.281 31.511 14.010 1.00 49.49 O ATOM 1048 CB THR A 66 22.508 34.183 12.179 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.977 34.665 10.938 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.717 35.018 12.569 1.00 49.73 C ATOM 0 H THR A 66 20.917 32.012 12.053 1.00 49.53 H new ATOM 0 HA THR A 66 23.741 32.710 11.340 1.00 50.07 H new ATOM 0 HB THR A 66 21.754 34.268 12.962 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.727 35.608 11.033 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.421 36.062 12.668 1.00 49.73 H new ATOM 0 HG22 THR A 66 24.114 34.661 13.519 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.484 34.930 11.799 1.00 49.73 H new ATOM 1058 N LEU A 67 24.479 32.098 13.811 1.00 49.53 N ATOM 1059 CA LEU A 67 24.823 31.625 15.157 1.00 50.07 C ATOM 1060 C LEU A 67 25.401 32.799 15.975 1.00 50.51 C ATOM 1061 O LEU A 67 25.944 33.686 15.298 1.00 49.49 O ATOM 1062 CB LEU A 67 25.830 30.470 15.078 1.00 49.82 C ATOM 1063 CG LEU A 67 25.275 29.158 14.512 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.417 28.202 14.196 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.314 28.537 15.513 1.00 49.73 C ATOM 0 H LEU A 67 25.269 32.419 13.251 1.00 49.53 H new ATOM 0 HA LEU A 67 23.926 31.253 15.651 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.672 30.785 14.462 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.220 30.280 16.078 1.00 49.82 H new ATOM 0 HG LEU A 67 24.734 29.361 13.588 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.013 27.273 13.794 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.080 28.657 13.460 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.977 27.990 15.107 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.920 27.604 15.109 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.841 28.335 16.446 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.491 29.226 15.703 1.00 49.73 H new ATOM 1077 N HIS A 68 25.173 32.818 17.240 1.00 49.53 N ATOM 1078 CA HIS A 68 25.751 33.905 18.067 1.00 50.07 C ATOM 1079 C HIS A 68 27.142 33.537 18.576 1.00 50.51 C ATOM 1080 O HIS A 68 27.369 32.403 19.051 1.00 49.49 O ATOM 1081 CB HIS A 68 24.832 34.234 19.248 1.00 49.92 C ATOM 1082 CG HIS A 68 23.490 34.758 18.838 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.336 35.913 18.099 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.242 34.287 19.065 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.050 36.127 17.889 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.365 35.156 18.464 1.00 49.64 N ATOM 0 H HIS A 68 24.613 32.132 17.746 1.00 49.53 H new ATOM 0 HA HIS A 68 25.842 34.787 17.432 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.693 33.336 19.850 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.322 34.972 19.884 1.00 49.92 H new ATOM 0 HD2 HIS A 68 21.984 33.395 19.616 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.630 36.956 17.340 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.349 35.066 18.462 1.00 49.64 H new ATOM 1094 N LEU A 69 28.060 34.489 18.538 1.00 49.53 N ATOM 1095 CA LEU A 69 29.407 34.289 19.062 1.00 50.07 C ATOM 1096 C LEU A 69 29.709 35.110 20.279 1.00 50.51 C ATOM 1097 O LEU A 69 29.807 36.381 20.131 1.00 49.49 O ATOM 1098 CB LEU A 69 30.440 34.581 17.967 1.00 49.82 C ATOM 1099 CG LEU A 69 31.905 34.419 18.391 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.179 32.973 18.780 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.815 34.852 17.252 1.00 49.73 C ATOM 0 H LEU A 69 27.897 35.417 18.147 1.00 49.53 H new ATOM 0 HA LEU A 69 29.464 33.246 19.373 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.248 33.919 17.123 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.292 35.601 17.613 1.00 49.82 H new ATOM 0 HG LEU A 69 32.104 35.049 19.258 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.222 32.868 19.079 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.533 32.691 19.611 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.979 32.323 17.928 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.856 34.737 17.554 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.621 34.233 16.376 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.621 35.897 17.009 1.00 49.73 H new ATOM 1113 N VAL A 70 29.820 34.530 21.430 1.00 49.53 N ATOM 1114 CA VAL A 70 30.226 35.290 22.648 1.00 50.07 C ATOM 1115 C VAL A 70 31.623 34.814 23.075 1.00 50.51 C ATOM 1116 O VAL A 70 31.817 33.592 23.265 1.00 49.49 O ATOM 1117 CB VAL A 70 29.234 35.090 23.809 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.630 35.947 25.001 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.818 35.421 23.362 1.00 49.73 C ATOM 0 H VAL A 70 29.644 33.538 21.589 1.00 49.53 H new ATOM 0 HA VAL A 70 30.234 36.353 22.407 1.00 50.07 H new ATOM 0 HB VAL A 70 29.264 34.043 24.112 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.918 35.793 25.812 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.628 35.665 25.336 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.628 36.998 24.711 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.130 35.274 24.195 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.774 36.459 23.033 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.534 34.767 22.537 1.00 49.73 H new ATOM 1129 N LEU A 71 32.542 35.729 23.274 1.00 49.53 N ATOM 1130 CA LEU A 71 33.903 35.359 23.720 1.00 50.07 C ATOM 1131 C LEU A 71 34.091 35.170 25.202 1.00 50.51 C ATOM 1132 O LEU A 71 33.627 35.987 26.021 1.00 49.49 O ATOM 1133 CB LEU A 71 34.907 36.402 23.210 1.00 49.82 C ATOM 1134 CG LEU A 71 34.860 36.669 21.700 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.982 37.619 21.303 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.977 35.351 20.947 1.00 49.73 C ATOM 0 H LEU A 71 32.394 36.729 23.141 1.00 49.53 H new ATOM 0 HA LEU A 71 34.076 34.372 23.290 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.730 37.341 23.735 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.913 36.075 23.474 1.00 49.82 H new ATOM 0 HG LEU A 71 33.910 37.137 21.442 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.941 37.803 20.229 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.866 38.562 21.837 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.943 37.173 21.558 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.944 35.541 19.874 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.921 34.869 21.201 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.150 34.698 21.226 1.00 49.73 H new ATOM 1148 N ARG A 72 34.820 34.188 25.583 1.00 49.53 N ATOM 1149 CA ARG A 72 35.144 33.911 26.998 1.00 50.07 C ATOM 1150 C ARG A 72 36.526 34.482 27.304 1.00 50.51 C ATOM 1151 O ARG A 72 37.458 33.935 26.631 1.00 49.49 O ATOM 1152 CB ARG A 72 35.050 32.431 27.340 1.00 49.82 C ATOM 1153 CG ARG A 72 35.191 32.107 28.820 1.00 49.82 C ATOM 1154 CD ARG A 72 35.353 30.661 29.115 1.00 50.20 C ATOM 1155 NE ARG A 72 34.183 29.850 28.819 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.191 28.508 28.705 1.00 50.64 C ATOM 1157 NH1 ARG A 72 35.308 27.824 28.827 1.00 49.20 N ATOM 1158 NH2 ARG A 72 33.049 27.896 28.446 1.00 49.20 N ATOM 0 H ARG A 72 35.234 33.520 24.933 1.00 49.53 H new ATOM 0 HA ARG A 72 34.402 34.399 27.630 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.090 32.052 26.990 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.824 31.896 26.790 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.051 32.646 29.218 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.311 32.477 29.347 1.00 49.82 H new ATOM 0 HD2 ARG A 72 36.198 30.279 28.543 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.603 30.544 30.169 1.00 50.20 H new ATOM 0 HE ARG A 72 33.293 30.331 28.688 1.00 49.30 H new ATOM 0 HH11 ARG A 72 36.186 28.310 29.011 1.00 49.20 H new ATOM 0 HH12 ARG A 72 35.296 26.808 28.738 1.00 49.20 H new ATOM 0 HH21 ARG A 72 32.192 28.439 28.338 1.00 49.20 H new ATOM 0 HH22 ARG A 72 33.024 26.880 28.354 1.00 49.20 H new ATOM 1172 N LEU A 73 36.675 35.429 28.170 1.00 49.53 N ATOM 1173 CA LEU A 73 38.025 35.982 28.442 1.00 50.07 C ATOM 1174 C LEU A 73 38.653 35.084 29.498 1.00 50.51 C ATOM 1175 O LEU A 73 37.986 34.647 30.448 1.00 49.49 O ATOM 1176 CB LEU A 73 37.934 37.434 28.929 1.00 49.82 C ATOM 1177 CG LEU A 73 38.058 38.499 27.833 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.725 38.668 27.116 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.509 39.815 28.450 1.00 49.73 C ATOM 0 H LEU A 73 35.917 35.850 28.708 1.00 49.53 H new ATOM 0 HA LEU A 73 38.633 36.000 27.537 1.00 50.07 H new ATOM 0 HB2 LEU A 73 36.981 37.570 29.439 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.718 37.603 29.667 1.00 49.82 H new ATOM 0 HG LEU A 73 38.801 38.182 27.101 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.823 39.427 26.339 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.433 37.721 26.663 1.00 49.73 H new ATOM 0 HD13 LEU A 73 35.964 38.978 27.832 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.597 40.571 27.670 1.00 49.73 H new ATOM 0 HD22 LEU A 73 37.777 40.140 29.190 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.477 39.678 28.933 1.00 49.73 H new ATOM 1191 N ARG A 74 39.929 34.813 29.277 1.00 49.53 N ATOM 1192 CA ARG A 74 40.717 33.955 30.176 1.00 50.07 C ATOM 1193 C ARG A 74 41.551 34.835 31.103 1.00 50.51 C ATOM 1194 O ARG A 74 42.792 34.867 31.005 1.00 49.49 O ATOM 1195 CB ARG A 74 41.576 32.952 29.421 1.00 49.82 C ATOM 1196 CG ARG A 74 40.799 31.896 28.650 1.00 49.82 C ATOM 1197 CD ARG A 74 40.073 30.924 29.508 1.00 50.20 C ATOM 1198 NE ARG A 74 40.927 30.130 30.376 1.00 49.30 N ATOM 1199 CZ ARG A 74 41.574 29.011 29.997 1.00 50.64 C ATOM 1200 NH1 ARG A 74 41.439 28.529 28.781 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.331 28.395 30.889 1.00 49.20 N ATOM 0 H ARG A 74 40.453 35.173 28.479 1.00 49.53 H new ATOM 0 HA ARG A 74 40.029 33.357 30.774 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.214 33.494 28.723 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.234 32.452 30.131 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.082 32.394 27.997 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.490 31.350 28.007 1.00 49.82 H new ATOM 0 HD2 ARG A 74 39.356 31.467 30.123 1.00 50.20 H new ATOM 0 HD3 ARG A 74 39.500 30.252 28.869 1.00 50.20 H new ATOM 0 HE ARG A 74 41.045 30.442 31.340 1.00 49.30 H new ATOM 0 HH11 ARG A 74 40.837 29.004 28.108 1.00 49.20 H new ATOM 0 HH12 ARG A 74 41.936 27.680 28.511 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.413 28.769 31.834 1.00 49.20 H new ATOM 0 HH22 ARG A 74 42.833 27.545 30.632 1.00 49.20 H new ATOM 1215 N GLY A 75 40.860 35.438 32.064 1.00 49.53 N ATOM 1216 CA GLY A 75 41.472 36.309 33.059 1.00 49.98 C ATOM 1217 C GLY A 75 40.753 37.640 32.959 1.00 50.51 C ATOM 1218 O GLY A 75 40.427 38.136 31.866 1.00 49.49 O ATOM 0 H GLY A 75 39.851 35.335 32.175 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.372 35.887 34.059 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.539 36.428 32.868 1.00 49.98 H new ATOM 1222 N GLY A 76 40.611 38.255 34.118 1.00 49.53 N ATOM 1223 CA GLY A 76 39.966 39.564 34.297 1.00 49.98 C ATOM 1224 C GLY A 76 39.622 39.682 35.790 1.00 50.51 C ATOM 1225 O GLY A 76 38.512 40.179 36.065 1.00 49.49 O ATOM 0 H GLY A 76 40.948 37.854 34.994 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.632 40.370 33.988 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.067 39.640 33.685 1.00 49.98 H new