USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 35 SER OG : rot 180:sc= 0.526 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -147:sc= 0.582 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -115:sc= 0.111 (180deg=-0.472) USER MOD Set 2.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= 0.0454 USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.159) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -59:sc= 0.896 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0726) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0.0301 (180deg=0.0121) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 10.141 38.689 34.182 1.00 20.00 N ATOM 2 CA ASN A 1 11.516 38.599 33.654 1.00 20.00 C ATOM 3 C ASN A 1 11.998 37.152 33.667 1.00 20.00 C ATOM 4 O ASN A 1 12.185 36.571 34.736 1.00 20.00 O ATOM 5 CB ASN A 1 12.482 39.502 34.432 1.00 20.00 C ATOM 6 CG ASN A 1 12.194 40.994 34.264 1.00 20.00 C ATOM 7 OD1 ASN A 1 11.453 41.405 33.375 1.00 20.00 O ATOM 8 ND2 ASN A 1 12.781 41.824 35.125 1.00 20.00 N ATOM 0 H1 ASN A 1 9.827 39.680 34.167 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.505 38.115 33.593 1.00 20.00 H new ATOM 0 H3 ASN A 1 10.121 38.335 35.160 1.00 20.00 H new ATOM 0 HA ASN A 1 11.500 38.952 32.623 1.00 20.00 H new ATOM 0 HB2 ASN A 1 12.431 39.248 35.491 1.00 20.00 H new ATOM 0 HB3 ASN A 1 13.501 39.298 34.104 1.00 20.00 H new ATOM 0 HD21 ASN A 1 12.620 42.829 35.056 1.00 20.00 H new ATOM 0 HD22 ASN A 1 13.392 41.455 35.854 1.00 20.00 H new ATOM 17 N GLU A 2 12.199 36.590 32.468 1.00 20.00 N ATOM 18 CA GLU A 2 12.673 35.225 32.273 1.00 20.00 C ATOM 19 C GLU A 2 14.170 35.210 31.950 1.00 20.00 C ATOM 20 O GLU A 2 14.904 34.420 32.533 1.00 20.00 O ATOM 21 CB GLU A 2 11.845 34.556 31.163 1.00 20.00 C ATOM 22 CG GLU A 2 12.030 33.040 31.120 1.00 20.00 C ATOM 23 CD GLU A 2 11.441 32.362 32.358 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.194 32.291 32.436 1.00 20.00 O ATOM 25 OE2 GLU A 2 12.242 31.933 33.217 1.00 20.00 O ATOM 0 H GLU A 2 12.032 37.086 31.593 1.00 20.00 H new ATOM 0 HA GLU A 2 12.542 34.658 33.195 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.790 34.785 31.315 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.128 34.980 30.199 1.00 20.00 H new ATOM 0 HG2 GLU A 2 11.553 32.641 30.225 1.00 20.00 H new ATOM 0 HG3 GLU A 2 13.092 32.805 31.047 1.00 20.00 H new ATOM 32 N CYS A 3 14.631 36.089 31.052 1.00 20.00 N ATOM 33 CA CYS A 3 16.023 36.167 30.602 1.00 20.00 C ATOM 34 C CYS A 3 16.993 36.578 31.720 1.00 20.00 C ATOM 35 O CYS A 3 18.153 36.176 31.684 1.00 20.00 O ATOM 36 CB CYS A 3 16.094 37.121 29.406 1.00 20.00 C ATOM 37 SG CYS A 3 15.028 36.509 28.081 1.00 20.00 S ATOM 0 H CYS A 3 14.030 36.783 30.608 1.00 20.00 H new ATOM 0 HA CYS A 3 16.347 35.171 30.300 1.00 20.00 H new ATOM 0 HB2 CYS A 3 15.781 38.121 29.706 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.122 37.201 29.052 1.00 20.00 H new ATOM 42 N VAL A 4 16.514 37.309 32.738 1.00 20.00 N ATOM 43 CA VAL A 4 17.223 37.569 33.995 1.00 20.00 C ATOM 44 C VAL A 4 17.417 36.256 34.767 1.00 20.00 C ATOM 45 O VAL A 4 18.541 35.938 35.149 1.00 20.00 O ATOM 46 CB VAL A 4 16.458 38.605 34.855 1.00 20.00 C ATOM 47 CG1 VAL A 4 17.135 38.837 36.217 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.362 39.965 34.150 1.00 20.00 C ATOM 0 H VAL A 4 15.594 37.748 32.706 1.00 20.00 H new ATOM 0 HA VAL A 4 18.203 37.987 33.764 1.00 20.00 H new ATOM 0 HB VAL A 4 15.463 38.185 35.003 1.00 20.00 H new ATOM 0 HG11 VAL A 4 16.565 39.571 36.787 1.00 20.00 H new ATOM 0 HG12 VAL A 4 17.172 37.898 36.769 1.00 20.00 H new ATOM 0 HG13 VAL A 4 18.148 39.207 36.061 1.00 20.00 H new ATOM 0 HG21 VAL A 4 15.819 40.666 34.784 1.00 20.00 H new ATOM 0 HG22 VAL A 4 17.365 40.349 33.961 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.834 39.848 33.203 1.00 20.00 H new ATOM 58 N SER A 5 16.328 35.502 34.993 1.00 20.00 N ATOM 59 CA SER A 5 16.316 34.263 35.767 1.00 20.00 C ATOM 60 C SER A 5 17.174 33.155 35.137 1.00 20.00 C ATOM 61 O SER A 5 17.732 32.339 35.870 1.00 20.00 O ATOM 62 CB SER A 5 14.864 33.795 35.928 1.00 20.00 C ATOM 63 OG SER A 5 14.777 32.769 36.896 1.00 20.00 O ATOM 0 H SER A 5 15.408 35.751 34.629 1.00 20.00 H new ATOM 0 HA SER A 5 16.759 34.471 36.741 1.00 20.00 H new ATOM 0 HB2 SER A 5 14.236 34.635 36.223 1.00 20.00 H new ATOM 0 HB3 SER A 5 14.484 33.434 34.972 1.00 20.00 H new ATOM 0 HG SER A 5 13.844 32.483 36.987 1.00 20.00 H new ATOM 69 N LYS A 6 17.294 33.134 33.801 1.00 20.00 N ATOM 70 CA LYS A 6 18.108 32.177 33.051 1.00 20.00 C ATOM 71 C LYS A 6 19.566 32.646 32.914 1.00 20.00 C ATOM 72 O LYS A 6 20.464 31.807 32.883 1.00 20.00 O ATOM 73 CB LYS A 6 17.498 31.956 31.656 1.00 20.00 C ATOM 74 CG LYS A 6 16.062 31.402 31.644 1.00 20.00 C ATOM 75 CD LYS A 6 15.951 29.950 32.140 1.00 20.00 C ATOM 76 CE LYS A 6 14.486 29.498 32.222 1.00 20.00 C ATOM 77 NZ LYS A 6 13.825 29.470 30.901 1.00 20.00 N ATOM 0 H LYS A 6 16.812 33.803 33.200 1.00 20.00 H new ATOM 0 HA LYS A 6 18.113 31.239 33.607 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.508 32.905 31.119 1.00 20.00 H new ATOM 0 HB3 LYS A 6 18.139 31.270 31.102 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.432 32.038 32.267 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.669 31.460 30.629 1.00 20.00 H new ATOM 0 HD2 LYS A 6 16.500 29.291 31.467 1.00 20.00 H new ATOM 0 HD3 LYS A 6 16.416 29.862 33.122 1.00 20.00 H new ATOM 0 HE2 LYS A 6 14.441 28.504 32.668 1.00 20.00 H new ATOM 0 HE3 LYS A 6 13.939 30.170 32.884 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 13.064 30.179 30.878 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 14.522 29.686 30.160 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 13.423 28.525 30.734 1.00 20.00 H new ATOM 91 N GLY A 7 19.806 33.966 32.858 1.00 20.00 N ATOM 92 CA GLY A 7 21.130 34.580 32.827 1.00 20.00 C ATOM 93 C GLY A 7 21.630 34.871 31.410 1.00 20.00 C ATOM 94 O GLY A 7 22.692 34.381 31.034 1.00 20.00 O ATOM 0 H GLY A 7 19.053 34.653 32.832 1.00 20.00 H new ATOM 0 HA2 GLY A 7 21.105 35.511 33.394 1.00 20.00 H new ATOM 0 HA3 GLY A 7 21.840 33.921 33.327 1.00 20.00 H new ATOM 98 N PHE A 8 20.882 35.681 30.648 1.00 20.00 N ATOM 99 CA PHE A 8 21.213 36.192 29.316 1.00 20.00 C ATOM 100 C PHE A 8 21.082 37.725 29.258 1.00 20.00 C ATOM 101 O PHE A 8 20.770 38.369 30.261 1.00 20.00 O ATOM 102 CB PHE A 8 20.293 35.518 28.289 1.00 20.00 C ATOM 103 CG PHE A 8 20.365 34.006 28.279 1.00 20.00 C ATOM 104 CD1 PHE A 8 21.557 33.356 27.909 1.00 20.00 C ATOM 105 CD2 PHE A 8 19.236 33.248 28.636 1.00 20.00 C ATOM 106 CE1 PHE A 8 21.612 31.954 27.865 1.00 20.00 C ATOM 107 CE2 PHE A 8 19.291 31.846 28.586 1.00 20.00 C ATOM 108 CZ PHE A 8 20.476 31.198 28.197 1.00 20.00 C ATOM 0 H PHE A 8 19.973 36.016 30.968 1.00 20.00 H new ATOM 0 HA PHE A 8 22.252 35.955 29.085 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.265 35.819 28.489 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.546 35.888 27.295 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.432 33.937 27.658 1.00 20.00 H new ATOM 0 HD2 PHE A 8 18.328 33.743 28.948 1.00 20.00 H new ATOM 0 HE1 PHE A 8 22.527 31.457 27.576 1.00 20.00 H new ATOM 0 HE2 PHE A 8 18.420 31.264 28.847 1.00 20.00 H new ATOM 0 HZ PHE A 8 20.513 30.120 28.153 1.00 20.00 H new ATOM 118 N GLY A 9 21.337 38.305 28.074 1.00 20.00 N ATOM 119 CA GLY A 9 21.265 39.740 27.804 1.00 20.00 C ATOM 120 C GLY A 9 19.944 40.162 27.154 1.00 20.00 C ATOM 121 O GLY A 9 19.090 39.323 26.867 1.00 20.00 O ATOM 0 H GLY A 9 21.608 37.764 27.253 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.395 40.287 28.738 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.091 40.023 27.152 1.00 20.00 H new ATOM 125 N CYS A 10 19.811 41.473 26.905 1.00 20.00 N ATOM 126 CA CYS A 10 18.659 42.130 26.286 1.00 20.00 C ATOM 127 C CYS A 10 19.066 43.028 25.105 1.00 20.00 C ATOM 128 O CYS A 10 18.407 44.035 24.841 1.00 20.00 O ATOM 129 CB CYS A 10 17.864 42.923 27.335 1.00 20.00 C ATOM 130 SG CYS A 10 17.129 41.976 28.686 1.00 20.00 S ATOM 0 H CYS A 10 20.547 42.137 27.145 1.00 20.00 H new ATOM 0 HA CYS A 10 18.017 41.348 25.880 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.526 43.674 27.767 1.00 20.00 H new ATOM 0 HB3 CYS A 10 17.066 43.459 26.822 1.00 20.00 H new ATOM 135 N LEU A 11 20.151 42.674 24.400 1.00 20.00 N ATOM 136 CA LEU A 11 20.653 43.412 23.241 1.00 20.00 C ATOM 137 C LEU A 11 19.581 43.500 22.143 1.00 20.00 C ATOM 138 O LEU A 11 18.805 42.558 21.987 1.00 20.00 O ATOM 139 CB LEU A 11 21.894 42.711 22.661 1.00 20.00 C ATOM 140 CG LEU A 11 23.244 42.968 23.360 1.00 20.00 C ATOM 141 CD1 LEU A 11 23.680 44.435 23.229 1.00 20.00 C ATOM 142 CD2 LEU A 11 23.251 42.543 24.831 1.00 20.00 C ATOM 0 H LEU A 11 20.711 41.852 24.627 1.00 20.00 H new ATOM 0 HA LEU A 11 20.914 44.417 23.574 1.00 20.00 H new ATOM 0 HB2 LEU A 11 21.709 41.637 22.669 1.00 20.00 H new ATOM 0 HB3 LEU A 11 21.993 43.009 21.617 1.00 20.00 H new ATOM 0 HG LEU A 11 23.967 42.339 22.840 1.00 20.00 H new ATOM 0 HD11 LEU A 11 24.635 44.577 23.734 1.00 20.00 H new ATOM 0 HD12 LEU A 11 23.785 44.691 22.175 1.00 20.00 H new ATOM 0 HD13 LEU A 11 22.929 45.080 23.685 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.229 42.750 25.265 1.00 20.00 H new ATOM 0 HD22 LEU A 11 22.488 43.100 25.374 1.00 20.00 H new ATOM 0 HD23 LEU A 11 23.041 41.476 24.902 1.00 20.00 H new ATOM 154 N PRO A 12 19.550 44.587 21.349 1.00 20.00 N ATOM 155 CA PRO A 12 18.568 44.771 20.289 1.00 20.00 C ATOM 156 C PRO A 12 18.830 43.839 19.101 1.00 20.00 C ATOM 157 O PRO A 12 19.916 43.278 18.941 1.00 20.00 O ATOM 158 CB PRO A 12 18.669 46.251 19.904 1.00 20.00 C ATOM 159 CG PRO A 12 20.132 46.579 20.183 1.00 20.00 C ATOM 160 CD PRO A 12 20.447 45.730 21.415 1.00 20.00 C ATOM 0 HA PRO A 12 17.561 44.515 20.619 1.00 20.00 H new ATOM 0 HB2 PRO A 12 18.411 46.414 18.858 1.00 20.00 H new ATOM 0 HB3 PRO A 12 17.996 46.869 20.498 1.00 20.00 H new ATOM 0 HG2 PRO A 12 20.772 46.319 19.340 1.00 20.00 H new ATOM 0 HG3 PRO A 12 20.277 47.642 20.377 1.00 20.00 H new ATOM 0 HD2 PRO A 12 21.489 45.410 21.413 1.00 20.00 H new ATOM 0 HD3 PRO A 12 20.290 46.298 22.332 1.00 20.00 H new ATOM 168 N GLN A 13 17.801 43.714 18.258 1.00 20.00 N ATOM 169 CA GLN A 13 17.781 42.910 17.040 1.00 20.00 C ATOM 170 C GLN A 13 18.855 43.355 16.031 1.00 20.00 C ATOM 171 O GLN A 13 19.355 42.525 15.277 1.00 20.00 O ATOM 172 CB GLN A 13 16.381 43.010 16.409 1.00 20.00 C ATOM 173 CG GLN A 13 15.301 42.330 17.266 1.00 20.00 C ATOM 174 CD GLN A 13 13.908 42.504 16.665 1.00 20.00 C ATOM 175 OE1 GLN A 13 13.584 41.893 15.650 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.062 43.324 17.287 1.00 20.00 N ATOM 0 H GLN A 13 16.917 44.196 18.418 1.00 20.00 H new ATOM 0 HA GLN A 13 18.007 41.877 17.304 1.00 20.00 H new ATOM 0 HB2 GLN A 13 16.123 44.060 16.270 1.00 20.00 H new ATOM 0 HB3 GLN A 13 16.398 42.552 15.420 1.00 20.00 H new ATOM 0 HG2 GLN A 13 15.527 41.268 17.359 1.00 20.00 H new ATOM 0 HG3 GLN A 13 15.318 42.749 18.272 1.00 20.00 H new ATOM 0 HE21 GLN A 13 13.357 43.819 18.128 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.119 43.457 16.922 1.00 20.00 H new ATOM 185 N SER A 14 19.231 44.644 16.021 1.00 20.00 N ATOM 186 CA SER A 14 20.283 45.185 15.165 1.00 20.00 C ATOM 187 C SER A 14 21.688 44.761 15.617 1.00 20.00 C ATOM 188 O SER A 14 22.557 44.565 14.766 1.00 20.00 O ATOM 189 CB SER A 14 20.191 46.714 15.172 1.00 20.00 C ATOM 190 OG SER A 14 19.024 47.151 14.507 1.00 20.00 O ATOM 0 H SER A 14 18.800 45.347 16.621 1.00 20.00 H new ATOM 0 HA SER A 14 20.131 44.787 14.162 1.00 20.00 H new ATOM 0 HB2 SER A 14 20.187 47.078 16.200 1.00 20.00 H new ATOM 0 HB3 SER A 14 21.071 47.138 14.688 1.00 20.00 H new ATOM 0 HG SER A 14 18.985 48.130 14.525 1.00 20.00 H new ATOM 196 N ASP A 15 21.919 44.640 16.934 1.00 20.00 N ATOM 197 CA ASP A 15 23.226 44.334 17.513 1.00 20.00 C ATOM 198 C ASP A 15 23.500 42.829 17.447 1.00 20.00 C ATOM 199 O ASP A 15 24.417 42.418 16.735 1.00 20.00 O ATOM 200 CB ASP A 15 23.316 44.857 18.957 1.00 20.00 C ATOM 201 CG ASP A 15 23.440 46.384 19.075 1.00 20.00 C ATOM 202 OD1 ASP A 15 23.275 47.093 18.054 1.00 20.00 O ATOM 203 OD2 ASP A 15 23.713 46.832 20.210 1.00 20.00 O ATOM 0 H ASP A 15 21.186 44.755 17.634 1.00 20.00 H new ATOM 0 HA ASP A 15 23.994 44.841 16.929 1.00 20.00 H new ATOM 0 HB2 ASP A 15 22.430 44.534 19.503 1.00 20.00 H new ATOM 0 HB3 ASP A 15 24.176 44.397 19.444 1.00 20.00 H new ATOM 208 N CYS A 16 22.720 42.013 18.175 1.00 20.00 N ATOM 209 CA CYS A 16 22.811 40.563 18.135 1.00 20.00 C ATOM 210 C CYS A 16 22.294 40.005 16.795 1.00 20.00 C ATOM 211 O CYS A 16 21.453 40.636 16.154 1.00 20.00 O ATOM 212 CB CYS A 16 22.021 39.995 19.320 1.00 20.00 C ATOM 213 SG CYS A 16 23.035 39.841 20.817 1.00 20.00 S ATOM 0 H CYS A 16 22.002 42.357 18.813 1.00 20.00 H new ATOM 0 HA CYS A 16 23.855 40.260 18.214 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.168 40.641 19.527 1.00 20.00 H new ATOM 0 HB3 CYS A 16 21.623 39.016 19.052 1.00 20.00 H new ATOM 218 N PRO A 17 22.765 38.814 16.372 1.00 20.00 N ATOM 219 CA PRO A 17 22.355 38.178 15.123 1.00 20.00 C ATOM 220 C PRO A 17 20.948 37.569 15.230 1.00 20.00 C ATOM 221 O PRO A 17 20.352 37.547 16.305 1.00 20.00 O ATOM 222 CB PRO A 17 23.435 37.123 14.860 1.00 20.00 C ATOM 223 CG PRO A 17 23.820 36.678 16.268 1.00 20.00 C ATOM 224 CD PRO A 17 23.756 37.989 17.052 1.00 20.00 C ATOM 0 HA PRO A 17 22.278 38.888 14.299 1.00 20.00 H new ATOM 0 HB2 PRO A 17 23.054 36.294 14.263 1.00 20.00 H new ATOM 0 HB3 PRO A 17 24.285 37.540 14.320 1.00 20.00 H new ATOM 0 HG2 PRO A 17 23.128 35.934 16.663 1.00 20.00 H new ATOM 0 HG3 PRO A 17 24.815 36.235 16.297 1.00 20.00 H new ATOM 0 HD2 PRO A 17 23.470 37.810 18.089 1.00 20.00 H new ATOM 0 HD3 PRO A 17 24.728 38.481 17.069 1.00 20.00 H new ATOM 232 N GLN A 18 20.420 37.081 14.100 1.00 20.00 N ATOM 233 CA GLN A 18 19.051 36.574 13.960 1.00 20.00 C ATOM 234 C GLN A 18 18.845 35.206 14.629 1.00 20.00 C ATOM 235 O GLN A 18 17.712 34.822 14.914 1.00 20.00 O ATOM 236 CB GLN A 18 18.692 36.519 12.465 1.00 20.00 C ATOM 237 CG GLN A 18 18.471 37.936 11.906 1.00 20.00 C ATOM 238 CD GLN A 18 18.401 37.964 10.379 1.00 20.00 C ATOM 239 OE1 GLN A 18 19.427 37.941 9.703 1.00 20.00 O ATOM 240 NE2 GLN A 18 17.197 38.030 9.814 1.00 20.00 N ATOM 0 H GLN A 18 20.952 37.027 13.231 1.00 20.00 H new ATOM 0 HA GLN A 18 18.382 37.259 14.481 1.00 20.00 H new ATOM 0 HB2 GLN A 18 19.491 36.025 11.912 1.00 20.00 H new ATOM 0 HB3 GLN A 18 17.791 35.922 12.324 1.00 20.00 H new ATOM 0 HG2 GLN A 18 17.547 38.344 12.315 1.00 20.00 H new ATOM 0 HG3 GLN A 18 19.281 38.584 12.240 1.00 20.00 H new ATOM 0 HE21 GLN A 18 16.360 38.048 10.397 1.00 20.00 H new ATOM 0 HE22 GLN A 18 17.111 38.063 8.798 1.00 20.00 H new ATOM 249 N GLU A 19 19.941 34.492 14.895 1.00 20.00 N ATOM 250 CA GLU A 19 19.996 33.140 15.436 1.00 20.00 C ATOM 251 C GLU A 19 20.060 33.113 16.969 1.00 20.00 C ATOM 252 O GLU A 19 19.447 32.242 17.584 1.00 20.00 O ATOM 253 CB GLU A 19 21.193 32.401 14.818 1.00 20.00 C ATOM 254 CG GLU A 19 22.516 33.185 14.814 1.00 20.00 C ATOM 255 CD GLU A 19 23.618 32.397 14.109 1.00 20.00 C ATOM 256 OE1 GLU A 19 24.054 31.369 14.673 1.00 20.00 O ATOM 257 OE2 GLU A 19 24.009 32.826 13.001 1.00 20.00 O ATOM 0 H GLU A 19 20.873 34.871 14.726 1.00 20.00 H new ATOM 0 HA GLU A 19 19.069 32.632 15.169 1.00 20.00 H new ATOM 0 HB2 GLU A 19 21.344 31.468 15.362 1.00 20.00 H new ATOM 0 HB3 GLU A 19 20.944 32.135 13.791 1.00 20.00 H new ATOM 0 HG2 GLU A 19 22.373 34.143 14.315 1.00 20.00 H new ATOM 0 HG3 GLU A 19 22.818 33.401 15.839 1.00 20.00 H new ATOM 264 N ALA A 20 20.770 34.073 17.577 1.00 20.00 N ATOM 265 CA ALA A 20 20.924 34.229 19.024 1.00 20.00 C ATOM 266 C ALA A 20 19.639 34.693 19.736 1.00 20.00 C ATOM 267 O ALA A 20 19.598 34.695 20.965 1.00 20.00 O ATOM 268 CB ALA A 20 22.051 35.232 19.293 1.00 20.00 C ATOM 0 H ALA A 20 21.271 34.789 17.051 1.00 20.00 H new ATOM 0 HA ALA A 20 21.160 33.246 19.431 1.00 20.00 H new ATOM 0 HB1 ALA A 20 22.177 35.358 20.368 1.00 20.00 H new ATOM 0 HB2 ALA A 20 22.980 34.860 18.860 1.00 20.00 H new ATOM 0 HB3 ALA A 20 21.799 36.192 18.842 1.00 20.00 H new ATOM 274 N ARG A 21 18.607 35.092 18.977 1.00 20.00 N ATOM 275 CA ARG A 21 17.335 35.613 19.474 1.00 20.00 C ATOM 276 C ARG A 21 16.529 34.507 20.164 1.00 20.00 C ATOM 277 O ARG A 21 15.906 33.682 19.493 1.00 20.00 O ATOM 278 CB ARG A 21 16.535 36.255 18.329 1.00 20.00 C ATOM 279 CG ARG A 21 17.241 37.488 17.742 1.00 20.00 C ATOM 280 CD ARG A 21 16.501 38.018 16.511 1.00 20.00 C ATOM 281 NE ARG A 21 17.271 39.056 15.813 1.00 20.00 N ATOM 282 CZ ARG A 21 16.837 39.723 14.733 1.00 20.00 C ATOM 283 NH1 ARG A 21 15.587 39.603 14.279 1.00 20.00 N ATOM 284 NH2 ARG A 21 17.671 40.522 14.072 1.00 20.00 N ATOM 0 H ARG A 21 18.643 35.057 17.958 1.00 20.00 H new ATOM 0 HA ARG A 21 17.541 36.385 20.216 1.00 20.00 H new ATOM 0 HB2 ARG A 21 16.379 35.519 17.540 1.00 20.00 H new ATOM 0 HB3 ARG A 21 15.550 36.543 18.695 1.00 20.00 H new ATOM 0 HG2 ARG A 21 17.300 38.271 18.498 1.00 20.00 H new ATOM 0 HG3 ARG A 21 18.264 37.229 17.470 1.00 20.00 H new ATOM 0 HD2 ARG A 21 16.299 37.194 15.827 1.00 20.00 H new ATOM 0 HD3 ARG A 21 15.536 38.424 16.815 1.00 20.00 H new ATOM 0 HE ARG A 21 18.197 39.285 16.173 1.00 20.00 H new ATOM 0 HH11 ARG A 21 14.928 38.989 14.757 1.00 20.00 H new ATOM 0 HH12 ARG A 21 15.292 40.126 13.454 1.00 20.00 H new ATOM 0 HH21 ARG A 21 18.636 40.625 14.387 1.00 20.00 H new ATOM 0 HH22 ARG A 21 17.346 41.031 13.250 1.00 20.00 H new ATOM 298 N LEU A 22 16.548 34.496 21.503 1.00 20.00 N ATOM 299 CA LEU A 22 15.767 33.586 22.338 1.00 20.00 C ATOM 300 C LEU A 22 14.275 33.958 22.317 1.00 20.00 C ATOM 301 O LEU A 22 13.899 35.067 21.933 1.00 20.00 O ATOM 302 CB LEU A 22 16.297 33.606 23.783 1.00 20.00 C ATOM 303 CG LEU A 22 17.730 33.071 23.971 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.183 33.401 25.398 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.817 31.553 23.762 1.00 20.00 C ATOM 0 H LEU A 22 17.124 35.139 22.046 1.00 20.00 H new ATOM 0 HA LEU A 22 15.872 32.580 21.932 1.00 20.00 H new ATOM 0 HB2 LEU A 22 16.259 34.631 24.151 1.00 20.00 H new ATOM 0 HB3 LEU A 22 15.624 33.018 24.407 1.00 20.00 H new ATOM 0 HG LEU A 22 18.370 33.544 23.226 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.196 33.031 25.553 1.00 20.00 H new ATOM 0 HD12 LEU A 22 18.165 34.481 25.545 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.510 32.926 26.112 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.846 31.224 23.905 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.172 31.049 24.482 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.495 31.306 22.750 1.00 20.00 H new ATOM 317 N SER A 23 13.435 33.017 22.764 1.00 20.00 N ATOM 318 CA SER A 23 11.970 33.120 22.755 1.00 20.00 C ATOM 319 C SER A 23 11.393 33.644 24.078 1.00 20.00 C ATOM 320 O SER A 23 10.210 33.981 24.134 1.00 20.00 O ATOM 321 CB SER A 23 11.363 31.744 22.457 1.00 20.00 C ATOM 322 OG SER A 23 11.838 31.230 21.231 1.00 20.00 O ATOM 0 H SER A 23 13.766 32.135 23.154 1.00 20.00 H new ATOM 0 HA SER A 23 11.710 33.841 21.980 1.00 20.00 H new ATOM 0 HB2 SER A 23 11.609 31.053 23.263 1.00 20.00 H new ATOM 0 HB3 SER A 23 10.276 31.822 22.425 1.00 20.00 H new ATOM 0 HG SER A 23 11.436 30.351 21.067 1.00 20.00 H new ATOM 328 N TYR A 24 12.221 33.717 25.127 1.00 20.00 N ATOM 329 CA TYR A 24 11.901 34.228 26.456 1.00 20.00 C ATOM 330 C TYR A 24 11.569 35.733 26.439 1.00 20.00 C ATOM 331 O TYR A 24 11.819 36.421 25.448 1.00 20.00 O ATOM 332 CB TYR A 24 13.134 33.981 27.326 1.00 20.00 C ATOM 333 CG TYR A 24 13.591 32.550 27.521 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.963 32.271 27.445 1.00 20.00 C ATOM 335 CD2 TYR A 24 12.680 31.520 27.804 1.00 20.00 C ATOM 336 CE1 TYR A 24 15.429 30.948 27.545 1.00 20.00 C ATOM 337 CE2 TYR A 24 13.138 30.194 27.955 1.00 20.00 C ATOM 338 CZ TYR A 24 14.519 29.894 27.791 1.00 20.00 C ATOM 339 OH TYR A 24 14.990 28.613 27.889 1.00 20.00 O ATOM 0 H TYR A 24 13.189 33.401 25.062 1.00 20.00 H new ATOM 0 HA TYR A 24 11.016 33.721 26.841 1.00 20.00 H new ATOM 0 HB2 TYR A 24 13.964 34.541 26.896 1.00 20.00 H new ATOM 0 HB3 TYR A 24 12.939 34.406 28.310 1.00 20.00 H new ATOM 0 HD1 TYR A 24 15.667 33.078 27.309 1.00 20.00 H new ATOM 0 HD2 TYR A 24 11.628 31.743 27.906 1.00 20.00 H new ATOM 0 HE1 TYR A 24 16.482 30.737 27.434 1.00 20.00 H new ATOM 0 HE2 TYR A 24 12.440 29.406 28.195 1.00 20.00 H new ATOM 0 HH TYR A 24 14.243 28.002 28.061 1.00 20.00 H new ATOM 349 N GLY A 25 11.035 36.246 27.559 1.00 20.00 N ATOM 350 CA GLY A 25 10.559 37.621 27.705 1.00 20.00 C ATOM 351 C GLY A 25 11.213 38.386 28.861 1.00 20.00 C ATOM 352 O GLY A 25 12.081 37.872 29.568 1.00 20.00 O ATOM 0 H GLY A 25 10.922 35.695 28.410 1.00 20.00 H new ATOM 0 HA2 GLY A 25 10.744 38.160 26.776 1.00 20.00 H new ATOM 0 HA3 GLY A 25 9.480 37.607 27.856 1.00 20.00 H new ATOM 356 N GLY A 26 10.767 39.639 29.028 1.00 20.00 N ATOM 357 CA GLY A 26 11.141 40.567 30.092 1.00 20.00 C ATOM 358 C GLY A 26 12.137 41.653 29.666 1.00 20.00 C ATOM 359 O GLY A 26 12.268 42.652 30.373 1.00 20.00 O ATOM 0 H GLY A 26 10.095 40.052 28.382 1.00 20.00 H new ATOM 0 HA2 GLY A 26 10.239 41.047 30.472 1.00 20.00 H new ATOM 0 HA3 GLY A 26 11.572 40.000 30.917 1.00 20.00 H new ATOM 363 N CYS A 27 12.824 41.484 28.526 1.00 20.00 N ATOM 364 CA CYS A 27 13.757 42.460 27.961 1.00 20.00 C ATOM 365 C CYS A 27 13.043 43.678 27.352 1.00 20.00 C ATOM 366 O CYS A 27 11.818 43.783 27.411 1.00 20.00 O ATOM 367 CB CYS A 27 14.646 41.746 26.937 1.00 20.00 C ATOM 368 SG CYS A 27 15.914 40.696 27.691 1.00 20.00 S ATOM 0 H CYS A 27 12.741 40.640 27.959 1.00 20.00 H new ATOM 0 HA CYS A 27 14.374 42.863 28.764 1.00 20.00 H new ATOM 0 HB2 CYS A 27 14.020 41.136 26.286 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.130 42.491 26.306 1.00 20.00 H new ATOM 373 N SER A 28 13.823 44.613 26.784 1.00 20.00 N ATOM 374 CA SER A 28 13.307 45.848 26.185 1.00 20.00 C ATOM 375 C SER A 28 13.092 45.706 24.677 1.00 20.00 C ATOM 376 O SER A 28 12.376 46.514 24.087 1.00 20.00 O ATOM 377 CB SER A 28 14.287 47.001 26.439 1.00 20.00 C ATOM 378 OG SER A 28 14.389 47.286 27.818 1.00 20.00 O ATOM 0 H SER A 28 14.838 44.529 26.729 1.00 20.00 H new ATOM 0 HA SER A 28 12.344 46.056 26.651 1.00 20.00 H new ATOM 0 HB2 SER A 28 15.269 46.741 26.044 1.00 20.00 H new ATOM 0 HB3 SER A 28 13.954 47.890 25.904 1.00 20.00 H new ATOM 0 HG SER A 28 15.021 48.023 27.954 1.00 20.00 H new ATOM 384 N THR A 29 13.717 44.692 24.063 1.00 20.00 N ATOM 385 CA THR A 29 13.750 44.467 22.625 1.00 20.00 C ATOM 386 C THR A 29 13.659 42.967 22.342 1.00 20.00 C ATOM 387 O THR A 29 12.622 42.486 21.889 1.00 20.00 O ATOM 388 CB THR A 29 15.011 45.100 21.996 1.00 20.00 C ATOM 389 OG1 THR A 29 16.169 44.841 22.770 1.00 20.00 O ATOM 390 CG2 THR A 29 14.879 46.618 21.821 1.00 20.00 C ATOM 0 H THR A 29 14.232 43.981 24.583 1.00 20.00 H new ATOM 0 HA THR A 29 12.892 44.954 22.163 1.00 20.00 H new ATOM 0 HB THR A 29 15.110 44.636 21.015 1.00 20.00 H new ATOM 0 HG1 THR A 29 16.866 45.491 22.543 1.00 20.00 H new ATOM 0 HG21 THR A 29 15.792 47.014 21.375 1.00 20.00 H new ATOM 0 HG22 THR A 29 14.033 46.837 21.170 1.00 20.00 H new ATOM 0 HG23 THR A 29 14.719 47.084 22.793 1.00 20.00 H new ATOM 398 N VAL A 30 14.744 42.235 22.610 1.00 20.00 N ATOM 399 CA VAL A 30 14.882 40.801 22.370 1.00 20.00 C ATOM 400 C VAL A 30 15.966 40.260 23.310 1.00 20.00 C ATOM 401 O VAL A 30 16.915 40.972 23.640 1.00 20.00 O ATOM 402 CB VAL A 30 15.183 40.553 20.868 1.00 20.00 C ATOM 403 CG1 VAL A 30 16.571 41.035 20.419 1.00 20.00 C ATOM 404 CG2 VAL A 30 15.018 39.082 20.468 1.00 20.00 C ATOM 0 H VAL A 30 15.584 42.646 23.017 1.00 20.00 H new ATOM 0 HA VAL A 30 13.959 40.264 22.588 1.00 20.00 H new ATOM 0 HB VAL A 30 14.436 41.156 20.353 1.00 20.00 H new ATOM 0 HG11 VAL A 30 16.703 40.825 19.358 1.00 20.00 H new ATOM 0 HG12 VAL A 30 16.656 42.108 20.590 1.00 20.00 H new ATOM 0 HG13 VAL A 30 17.339 40.514 20.990 1.00 20.00 H new ATOM 0 HG21 VAL A 30 15.241 38.966 19.407 1.00 20.00 H new ATOM 0 HG22 VAL A 30 15.703 38.467 21.052 1.00 20.00 H new ATOM 0 HG23 VAL A 30 13.993 38.766 20.660 1.00 20.00 H new ATOM 414 N CYS A 31 15.835 38.999 23.736 1.00 20.00 N ATOM 415 CA CYS A 31 16.862 38.320 24.519 1.00 20.00 C ATOM 416 C CYS A 31 17.921 37.713 23.591 1.00 20.00 C ATOM 417 O CYS A 31 17.592 37.243 22.502 1.00 20.00 O ATOM 418 CB CYS A 31 16.219 37.239 25.386 1.00 20.00 C ATOM 419 SG CYS A 31 14.992 37.848 26.565 1.00 20.00 S ATOM 0 H CYS A 31 15.014 38.425 23.546 1.00 20.00 H new ATOM 0 HA CYS A 31 17.354 39.043 25.170 1.00 20.00 H new ATOM 0 HB2 CYS A 31 15.744 36.505 24.735 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.004 36.718 25.935 1.00 20.00 H new ATOM 424 N CYS A 32 19.183 37.700 24.040 1.00 20.00 N ATOM 425 CA CYS A 32 20.332 37.243 23.266 1.00 20.00 C ATOM 426 C CYS A 32 21.216 36.332 24.123 1.00 20.00 C ATOM 427 O CYS A 32 21.685 36.760 25.178 1.00 20.00 O ATOM 428 CB CYS A 32 21.092 38.468 22.741 1.00 20.00 C ATOM 429 SG CYS A 32 22.471 38.063 21.639 1.00 20.00 S ATOM 0 H CYS A 32 19.434 38.016 24.977 1.00 20.00 H new ATOM 0 HA CYS A 32 20.006 36.652 22.410 1.00 20.00 H new ATOM 0 HB2 CYS A 32 20.394 39.116 22.210 1.00 20.00 H new ATOM 0 HB3 CYS A 32 21.473 39.037 23.589 1.00 20.00 H new ATOM 434 N ASP A 33 21.419 35.079 23.680 1.00 20.00 N ATOM 435 CA ASP A 33 22.209 34.064 24.382 1.00 20.00 C ATOM 436 C ASP A 33 23.715 34.370 24.370 1.00 20.00 C ATOM 437 O ASP A 33 24.450 33.903 23.502 1.00 20.00 O ATOM 438 CB ASP A 33 21.887 32.639 23.887 1.00 20.00 C ATOM 439 CG ASP A 33 21.723 32.464 22.371 1.00 20.00 C ATOM 440 OD1 ASP A 33 22.687 32.730 21.622 1.00 20.00 O ATOM 441 OD2 ASP A 33 20.631 32.005 21.973 1.00 20.00 O ATOM 0 H ASP A 33 21.027 34.740 22.802 1.00 20.00 H new ATOM 0 HA ASP A 33 21.908 34.105 25.429 1.00 20.00 H new ATOM 0 HB2 ASP A 33 22.681 31.973 24.224 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.968 32.309 24.370 1.00 20.00 H new ATOM 446 N LEU A 34 24.182 35.133 25.370 1.00 20.00 N ATOM 447 CA LEU A 34 25.580 35.541 25.520 1.00 20.00 C ATOM 448 C LEU A 34 26.516 34.351 25.804 1.00 20.00 C ATOM 449 O LEU A 34 27.709 34.437 25.513 1.00 20.00 O ATOM 450 CB LEU A 34 25.721 36.595 26.638 1.00 20.00 C ATOM 451 CG LEU A 34 24.703 37.755 26.614 1.00 20.00 C ATOM 452 CD1 LEU A 34 24.969 38.688 27.802 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.743 38.551 25.301 1.00 20.00 C ATOM 0 H LEU A 34 23.581 35.490 26.113 1.00 20.00 H new ATOM 0 HA LEU A 34 25.882 35.976 24.567 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.639 36.088 27.599 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.724 37.018 26.585 1.00 20.00 H new ATOM 0 HG LEU A 34 23.706 37.320 26.689 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.252 39.509 27.788 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.865 38.131 28.733 1.00 20.00 H new ATOM 0 HD13 LEU A 34 25.980 39.089 27.731 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.007 39.354 25.340 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.737 38.976 25.164 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.513 37.888 24.467 1.00 20.00 H new ATOM 465 N SER A 35 25.970 33.237 26.322 1.00 20.00 N ATOM 466 CA SER A 35 26.665 31.970 26.552 1.00 20.00 C ATOM 467 C SER A 35 27.113 31.299 25.249 1.00 20.00 C ATOM 468 O SER A 35 28.019 30.467 25.279 1.00 20.00 O ATOM 469 CB SER A 35 25.726 30.998 27.278 1.00 20.00 C ATOM 470 OG SER A 35 25.394 31.470 28.561 1.00 20.00 O ATOM 0 H SER A 35 24.990 33.199 26.602 1.00 20.00 H new ATOM 0 HA SER A 35 27.549 32.199 27.147 1.00 20.00 H new ATOM 0 HB2 SER A 35 24.817 30.861 26.692 1.00 20.00 H new ATOM 0 HB3 SER A 35 26.203 30.021 27.360 1.00 20.00 H new ATOM 0 HG SER A 35 24.794 30.831 28.999 1.00 20.00 H new ATOM 476 N LYS A 36 26.467 31.647 24.124 1.00 20.00 N ATOM 477 CA LYS A 36 26.597 30.983 22.828 1.00 20.00 C ATOM 478 C LYS A 36 26.931 31.962 21.696 1.00 20.00 C ATOM 479 O LYS A 36 26.994 31.566 20.533 1.00 20.00 O ATOM 480 CB LYS A 36 25.322 30.166 22.533 1.00 20.00 C ATOM 481 CG LYS A 36 24.921 29.252 23.704 1.00 20.00 C ATOM 482 CD LYS A 36 23.929 28.160 23.287 1.00 20.00 C ATOM 483 CE LYS A 36 23.523 27.284 24.480 1.00 20.00 C ATOM 484 NZ LYS A 36 24.662 26.526 25.035 1.00 20.00 N ATOM 0 H LYS A 36 25.815 32.431 24.098 1.00 20.00 H new ATOM 0 HA LYS A 36 27.444 30.299 22.880 1.00 20.00 H new ATOM 0 HB2 LYS A 36 24.501 30.848 22.312 1.00 20.00 H new ATOM 0 HB3 LYS A 36 25.482 29.559 21.642 1.00 20.00 H new ATOM 0 HG2 LYS A 36 25.815 28.786 24.119 1.00 20.00 H new ATOM 0 HG3 LYS A 36 24.479 29.856 24.496 1.00 20.00 H new ATOM 0 HD2 LYS A 36 23.041 28.620 22.853 1.00 20.00 H new ATOM 0 HD3 LYS A 36 24.376 27.537 22.512 1.00 20.00 H new ATOM 0 HE2 LYS A 36 23.094 27.913 25.260 1.00 20.00 H new ATOM 0 HE3 LYS A 36 22.744 26.588 24.168 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 24.307 25.711 25.574 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 25.267 26.190 24.259 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 25.216 27.142 25.664 1.00 20.00 H new ATOM 498 N LEU A 37 27.153 33.233 22.045 1.00 20.00 N ATOM 499 CA LEU A 37 27.491 34.325 21.140 1.00 20.00 C ATOM 500 C LEU A 37 29.002 34.379 20.881 1.00 20.00 C ATOM 501 O LEU A 37 29.425 34.593 19.745 1.00 20.00 O ATOM 502 CB LEU A 37 27.001 35.639 21.777 1.00 20.00 C ATOM 503 CG LEU A 37 26.971 36.849 20.822 1.00 20.00 C ATOM 504 CD1 LEU A 37 25.916 36.692 19.715 1.00 20.00 C ATOM 505 CD2 LEU A 37 26.651 38.116 21.626 1.00 20.00 C ATOM 0 H LEU A 37 27.098 33.539 23.017 1.00 20.00 H new ATOM 0 HA LEU A 37 27.006 34.170 20.176 1.00 20.00 H new ATOM 0 HB2 LEU A 37 25.998 35.482 22.174 1.00 20.00 H new ATOM 0 HB3 LEU A 37 27.645 35.878 22.624 1.00 20.00 H new ATOM 0 HG LEU A 37 27.950 36.917 20.348 1.00 20.00 H new ATOM 0 HD11 LEU A 37 25.934 37.569 19.068 1.00 20.00 H new ATOM 0 HD12 LEU A 37 26.137 35.802 19.125 1.00 20.00 H new ATOM 0 HD13 LEU A 37 24.928 36.593 20.165 1.00 20.00 H new ATOM 0 HD21 LEU A 37 26.628 38.976 20.956 1.00 20.00 H new ATOM 0 HD22 LEU A 37 25.680 38.006 22.108 1.00 20.00 H new ATOM 0 HD23 LEU A 37 27.418 38.268 22.386 1.00 20.00 H new ATOM 517 N THR A 38 29.799 34.187 21.942 1.00 20.00 N ATOM 518 CA THR A 38 31.256 34.308 21.944 1.00 20.00 C ATOM 519 C THR A 38 31.920 32.930 21.818 1.00 20.00 C ATOM 520 O THR A 38 32.336 32.558 20.721 1.00 20.00 O ATOM 521 CB THR A 38 31.732 35.106 23.177 1.00 20.00 C ATOM 522 OG1 THR A 38 31.172 34.606 24.378 1.00 20.00 O ATOM 523 CG2 THR A 38 31.366 36.589 23.051 1.00 20.00 C ATOM 0 H THR A 38 29.427 33.933 22.857 1.00 20.00 H new ATOM 0 HA THR A 38 31.569 34.876 21.068 1.00 20.00 H new ATOM 0 HB THR A 38 32.816 34.994 23.215 1.00 20.00 H new ATOM 0 HG1 THR A 38 31.498 35.135 25.136 1.00 20.00 H new ATOM 0 HG21 THR A 38 31.714 37.126 23.934 1.00 20.00 H new ATOM 0 HG22 THR A 38 31.840 37.006 22.162 1.00 20.00 H new ATOM 0 HG23 THR A 38 30.284 36.691 22.967 1.00 20.00 H new ATOM 531 N GLY A 39 32.025 32.177 22.921 1.00 20.00 N ATOM 532 CA GLY A 39 32.713 30.894 22.982 1.00 20.00 C ATOM 533 C GLY A 39 33.021 30.503 24.425 1.00 20.00 C ATOM 534 O GLY A 39 32.118 30.489 25.261 1.00 20.00 O ATOM 0 H GLY A 39 31.621 32.456 23.815 1.00 20.00 H new ATOM 0 HA2 GLY A 39 32.096 30.125 22.517 1.00 20.00 H new ATOM 0 HA3 GLY A 39 33.640 30.947 22.411 1.00 20.00 H new ATOM 538 N CYS A 40 34.295 30.183 24.704 1.00 20.00 N ATOM 539 CA CYS A 40 34.782 29.745 26.012 1.00 20.00 C ATOM 540 C CYS A 40 34.490 30.788 27.104 1.00 20.00 C ATOM 541 O CYS A 40 34.026 30.424 28.181 1.00 20.00 O ATOM 542 CB CYS A 40 36.277 29.396 25.917 1.00 20.00 C ATOM 543 SG CYS A 40 36.787 27.875 26.769 1.00 20.00 S ATOM 0 H CYS A 40 35.033 30.225 24.001 1.00 20.00 H new ATOM 0 HA CYS A 40 34.243 28.845 26.307 1.00 20.00 H new ATOM 0 HB2 CYS A 40 36.544 29.308 24.864 1.00 20.00 H new ATOM 0 HB3 CYS A 40 36.852 30.228 26.323 1.00 20.00 H new ATOM 548 N LYS A 41 34.691 32.080 26.800 1.00 20.00 N ATOM 549 CA LYS A 41 34.390 33.228 27.661 1.00 20.00 C ATOM 550 C LYS A 41 32.891 33.368 27.998 1.00 20.00 C ATOM 551 O LYS A 41 32.568 33.949 29.034 1.00 20.00 O ATOM 552 CB LYS A 41 34.914 34.494 26.953 1.00 20.00 C ATOM 553 CG LYS A 41 34.824 35.778 27.800 1.00 20.00 C ATOM 554 CD LYS A 41 35.368 37.016 27.072 1.00 20.00 C ATOM 555 CE LYS A 41 34.461 37.415 25.900 1.00 20.00 C ATOM 556 NZ LYS A 41 34.934 38.645 25.237 1.00 20.00 N ATOM 0 H LYS A 41 35.087 32.363 25.904 1.00 20.00 H new ATOM 0 HA LYS A 41 34.885 33.079 28.621 1.00 20.00 H new ATOM 0 HB2 LYS A 41 35.954 34.333 26.668 1.00 20.00 H new ATOM 0 HB3 LYS A 41 34.350 34.640 26.032 1.00 20.00 H new ATOM 0 HG2 LYS A 41 33.784 35.953 28.075 1.00 20.00 H new ATOM 0 HG3 LYS A 41 35.379 35.635 28.727 1.00 20.00 H new ATOM 0 HD2 LYS A 41 35.448 37.847 27.773 1.00 20.00 H new ATOM 0 HD3 LYS A 41 36.373 36.812 26.704 1.00 20.00 H new ATOM 0 HE2 LYS A 41 34.425 36.602 25.175 1.00 20.00 H new ATOM 0 HE3 LYS A 41 33.444 37.565 26.262 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 34.296 38.883 24.451 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 34.945 39.427 25.923 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 35.895 38.494 24.869 1.00 20.00 H new ATOM 570 N GLY A 42 31.987 32.836 27.158 1.00 20.00 N ATOM 571 CA GLY A 42 30.535 33.013 27.253 1.00 20.00 C ATOM 572 C GLY A 42 29.933 32.578 28.592 1.00 20.00 C ATOM 573 O GLY A 42 29.017 33.235 29.087 1.00 20.00 O ATOM 0 H GLY A 42 32.261 32.251 26.368 1.00 20.00 H new ATOM 0 HA2 GLY A 42 30.297 34.063 27.085 1.00 20.00 H new ATOM 0 HA3 GLY A 42 30.059 32.447 26.453 1.00 20.00 H new ATOM 577 N LYS A 43 30.484 31.512 29.189 1.00 20.00 N ATOM 578 CA LYS A 43 30.177 31.032 30.536 1.00 20.00 C ATOM 579 C LYS A 43 31.412 30.992 31.446 1.00 20.00 C ATOM 580 O LYS A 43 31.248 31.048 32.663 1.00 20.00 O ATOM 581 CB LYS A 43 29.488 29.662 30.425 1.00 20.00 C ATOM 582 CG LYS A 43 27.965 29.826 30.337 1.00 20.00 C ATOM 583 CD LYS A 43 27.343 29.866 31.744 1.00 20.00 C ATOM 584 CE LYS A 43 25.863 30.257 31.729 1.00 20.00 C ATOM 585 NZ LYS A 43 25.676 31.702 31.508 1.00 20.00 N ATOM 0 H LYS A 43 31.186 30.938 28.722 1.00 20.00 H new ATOM 0 HA LYS A 43 29.498 31.737 31.015 1.00 20.00 H new ATOM 0 HB2 LYS A 43 29.854 29.136 29.543 1.00 20.00 H new ATOM 0 HB3 LYS A 43 29.743 29.050 31.290 1.00 20.00 H new ATOM 0 HG2 LYS A 43 27.723 30.743 29.800 1.00 20.00 H new ATOM 0 HG3 LYS A 43 27.537 29.001 29.768 1.00 20.00 H new ATOM 0 HD2 LYS A 43 27.450 28.887 32.211 1.00 20.00 H new ATOM 0 HD3 LYS A 43 27.895 30.576 32.360 1.00 20.00 H new ATOM 0 HE2 LYS A 43 25.349 29.701 30.945 1.00 20.00 H new ATOM 0 HE3 LYS A 43 25.403 29.972 32.675 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 24.833 32.026 32.024 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 26.512 32.217 31.852 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 25.551 31.884 30.492 1.00 20.00 H new ATOM 599 N GLY A 44 32.628 30.970 30.878 1.00 20.00 N ATOM 600 CA GLY A 44 33.879 31.197 31.599 1.00 20.00 C ATOM 601 C GLY A 44 35.006 30.291 31.107 1.00 20.00 C ATOM 602 O GLY A 44 36.143 30.745 30.985 1.00 20.00 O ATOM 0 H GLY A 44 32.766 30.790 29.884 1.00 20.00 H new ATOM 0 HA2 GLY A 44 34.178 32.239 31.484 1.00 20.00 H new ATOM 0 HA3 GLY A 44 33.718 31.027 32.664 1.00 20.00 H new ATOM 606 N GLY A 45 34.680 29.030 30.793 1.00 20.00 N ATOM 607 CA GLY A 45 35.580 28.086 30.146 1.00 20.00 C ATOM 608 C GLY A 45 36.522 27.369 31.114 1.00 20.00 C ATOM 609 O GLY A 45 36.615 27.710 32.295 1.00 20.00 O ATOM 0 H GLY A 45 33.760 28.636 30.989 1.00 20.00 H new ATOM 0 HA2 GLY A 45 34.989 27.343 29.611 1.00 20.00 H new ATOM 0 HA3 GLY A 45 36.174 28.616 29.402 1.00 20.00 H new ATOM 613 N GLU A 46 37.222 26.359 30.583 1.00 20.00 N ATOM 614 CA GLU A 46 38.110 25.478 31.328 1.00 20.00 C ATOM 615 C GLU A 46 39.192 24.914 30.410 1.00 20.00 C ATOM 616 O GLU A 46 38.892 24.328 29.373 1.00 20.00 O ATOM 617 CB GLU A 46 37.287 24.337 31.939 1.00 20.00 C ATOM 618 CG GLU A 46 38.126 23.291 32.675 1.00 20.00 C ATOM 619 CD GLU A 46 37.234 22.426 33.566 1.00 20.00 C ATOM 620 OE1 GLU A 46 36.990 22.853 34.718 1.00 20.00 O ATOM 621 OE2 GLU A 46 36.815 21.346 33.097 1.00 20.00 O ATOM 0 H GLU A 46 37.180 26.131 29.590 1.00 20.00 H new ATOM 0 HA GLU A 46 38.597 26.043 32.123 1.00 20.00 H new ATOM 0 HB2 GLU A 46 36.560 24.758 32.633 1.00 20.00 H new ATOM 0 HB3 GLU A 46 36.724 23.844 31.147 1.00 20.00 H new ATOM 0 HG2 GLU A 46 38.650 22.663 31.955 1.00 20.00 H new ATOM 0 HG3 GLU A 46 38.886 23.785 33.280 1.00 20.00 H new ATOM 628 N CYS A 47 40.447 25.041 30.848 1.00 20.00 N ATOM 629 CA CYS A 47 41.578 24.278 30.336 1.00 20.00 C ATOM 630 C CYS A 47 41.694 22.968 31.118 1.00 20.00 C ATOM 631 O CYS A 47 41.753 22.982 32.348 1.00 20.00 O ATOM 632 CB CYS A 47 42.864 25.098 30.468 1.00 20.00 C ATOM 633 SG CYS A 47 43.062 26.383 29.205 1.00 20.00 S ATOM 0 H CYS A 47 40.707 25.695 31.587 1.00 20.00 H new ATOM 0 HA CYS A 47 41.423 24.052 29.281 1.00 20.00 H new ATOM 0 HB2 CYS A 47 42.883 25.566 31.452 1.00 20.00 H new ATOM 0 HB3 CYS A 47 43.718 24.423 30.420 1.00 20.00 H new ATOM 638 N ASN A 48 41.773 21.849 30.388 1.00 20.00 N ATOM 639 CA ASN A 48 42.118 20.521 30.887 1.00 20.00 C ATOM 640 C ASN A 48 43.197 19.906 29.979 1.00 20.00 C ATOM 641 O ASN A 48 43.355 20.346 28.837 1.00 20.00 O ATOM 642 CB ASN A 48 40.851 19.642 30.989 1.00 20.00 C ATOM 643 CG ASN A 48 40.355 19.511 32.427 1.00 20.00 C ATOM 644 OD1 ASN A 48 40.387 18.428 33.002 1.00 20.00 O ATOM 645 ND2 ASN A 48 39.878 20.602 33.018 1.00 20.00 N ATOM 0 H ASN A 48 41.588 21.850 29.385 1.00 20.00 H new ATOM 0 HA ASN A 48 42.530 20.590 31.894 1.00 20.00 H new ATOM 0 HB2 ASN A 48 40.062 20.072 30.372 1.00 20.00 H new ATOM 0 HB3 ASN A 48 41.065 18.651 30.588 1.00 20.00 H new ATOM 0 HD21 ASN A 48 39.526 20.552 33.974 1.00 20.00 H new ATOM 0 HD22 ASN A 48 39.864 21.489 32.515 1.00 20.00 H new ATOM 652 N PRO A 49 43.954 18.905 30.475 1.00 20.00 N ATOM 653 CA PRO A 49 45.140 18.374 29.807 1.00 20.00 C ATOM 654 C PRO A 49 44.816 17.710 28.466 1.00 20.00 C ATOM 655 O PRO A 49 43.682 17.298 28.216 1.00 20.00 O ATOM 656 CB PRO A 49 45.782 17.401 30.801 1.00 20.00 C ATOM 657 CG PRO A 49 44.628 16.994 31.713 1.00 20.00 C ATOM 658 CD PRO A 49 43.773 18.257 31.765 1.00 20.00 C ATOM 0 HA PRO A 49 45.828 19.177 29.545 1.00 20.00 H new ATOM 0 HB2 PRO A 49 46.214 16.538 30.294 1.00 20.00 H new ATOM 0 HB3 PRO A 49 46.587 17.876 31.362 1.00 20.00 H new ATOM 0 HG2 PRO A 49 44.073 16.147 31.309 1.00 20.00 H new ATOM 0 HG3 PRO A 49 44.979 16.703 32.703 1.00 20.00 H new ATOM 0 HD2 PRO A 49 42.725 18.014 31.938 1.00 20.00 H new ATOM 0 HD3 PRO A 49 44.087 18.910 32.579 1.00 20.00 H new ATOM 666 N LEU A 50 45.848 17.574 27.623 1.00 20.00 N ATOM 667 CA LEU A 50 45.775 16.880 26.339 1.00 20.00 C ATOM 668 C LEU A 50 45.427 15.390 26.498 1.00 20.00 C ATOM 669 O LEU A 50 44.928 14.783 25.551 1.00 20.00 O ATOM 670 CB LEU A 50 47.119 17.022 25.602 1.00 20.00 C ATOM 671 CG LEU A 50 47.433 18.448 25.110 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.882 18.518 24.612 1.00 20.00 C ATOM 673 CD2 LEU A 50 46.498 18.867 23.971 1.00 20.00 C ATOM 0 H LEU A 50 46.774 17.952 27.822 1.00 20.00 H new ATOM 0 HA LEU A 50 44.974 17.341 25.761 1.00 20.00 H new ATOM 0 HB2 LEU A 50 47.919 16.697 26.267 1.00 20.00 H new ATOM 0 HB3 LEU A 50 47.122 16.347 24.746 1.00 20.00 H new ATOM 0 HG LEU A 50 47.287 19.128 25.949 1.00 20.00 H new ATOM 0 HD11 LEU A 50 49.099 19.528 24.265 1.00 20.00 H new ATOM 0 HD12 LEU A 50 49.559 18.260 25.426 1.00 20.00 H new ATOM 0 HD13 LEU A 50 49.019 17.815 23.790 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.748 19.878 23.649 1.00 20.00 H new ATOM 0 HD22 LEU A 50 46.614 18.180 23.133 1.00 20.00 H new ATOM 0 HD23 LEU A 50 45.466 18.842 24.320 1.00 20.00 H new ATOM 685 N ASP A 51 45.648 14.817 27.690 1.00 20.00 N ATOM 686 CA ASP A 51 45.294 13.451 28.062 1.00 20.00 C ATOM 687 C ASP A 51 43.773 13.270 28.186 1.00 20.00 C ATOM 688 O ASP A 51 43.288 12.159 27.973 1.00 20.00 O ATOM 689 CB ASP A 51 45.950 13.102 29.412 1.00 20.00 C ATOM 690 CG ASP A 51 47.474 12.938 29.356 1.00 20.00 C ATOM 691 OD1 ASP A 51 47.955 11.916 29.892 1.00 20.00 O ATOM 692 OD2 ASP A 51 48.155 13.837 28.816 1.00 20.00 O ATOM 0 H ASP A 51 46.100 15.322 28.452 1.00 20.00 H new ATOM 0 HA ASP A 51 45.654 12.788 27.276 1.00 20.00 H new ATOM 0 HB2 ASP A 51 45.708 13.884 30.132 1.00 20.00 H new ATOM 0 HB3 ASP A 51 45.511 12.177 29.786 1.00 20.00 H new ATOM 697 N ARG A 52 43.031 14.340 28.528 1.00 20.00 N ATOM 698 CA ARG A 52 41.592 14.305 28.763 1.00 20.00 C ATOM 699 C ARG A 52 40.846 14.802 27.523 1.00 20.00 C ATOM 700 O ARG A 52 40.921 15.975 27.158 1.00 20.00 O ATOM 701 CB ARG A 52 41.222 15.107 30.021 1.00 20.00 C ATOM 702 CG ARG A 52 39.972 14.523 30.701 1.00 20.00 C ATOM 703 CD ARG A 52 39.760 15.089 32.113 1.00 20.00 C ATOM 704 NE ARG A 52 40.761 14.595 33.077 1.00 20.00 N ATOM 705 CZ ARG A 52 40.739 13.421 33.729 1.00 20.00 C ATOM 706 NH1 ARG A 52 39.761 12.532 33.555 1.00 20.00 N ATOM 707 NH2 ARG A 52 41.721 13.129 34.582 1.00 20.00 N ATOM 0 H ARG A 52 43.433 15.270 28.649 1.00 20.00 H new ATOM 0 HA ARG A 52 41.286 13.275 28.944 1.00 20.00 H new ATOM 0 HB2 ARG A 52 42.058 15.099 30.720 1.00 20.00 H new ATOM 0 HB3 ARG A 52 41.041 16.148 29.753 1.00 20.00 H new ATOM 0 HG2 ARG A 52 39.095 14.737 30.090 1.00 20.00 H new ATOM 0 HG3 ARG A 52 40.064 13.438 30.757 1.00 20.00 H new ATOM 0 HD2 ARG A 52 39.804 16.177 32.075 1.00 20.00 H new ATOM 0 HD3 ARG A 52 38.762 14.822 32.462 1.00 20.00 H new ATOM 0 HE ARG A 52 41.553 15.209 33.269 1.00 20.00 H new ATOM 0 HH11 ARG A 52 38.997 12.734 32.910 1.00 20.00 H new ATOM 0 HH12 ARG A 52 39.777 11.650 34.067 1.00 20.00 H new ATOM 0 HH21 ARG A 52 42.479 13.794 34.734 1.00 20.00 H new ATOM 0 HH22 ARG A 52 41.714 12.240 35.083 1.00 20.00 H new ATOM 721 N GLN A 53 40.141 13.874 26.873 1.00 20.00 N ATOM 722 CA GLN A 53 39.350 14.105 25.667 1.00 20.00 C ATOM 723 C GLN A 53 38.069 14.865 26.037 1.00 20.00 C ATOM 724 O GLN A 53 37.250 14.364 26.809 1.00 20.00 O ATOM 725 CB GLN A 53 39.030 12.773 24.970 1.00 20.00 C ATOM 726 CG GLN A 53 40.304 12.083 24.448 1.00 20.00 C ATOM 727 CD GLN A 53 39.973 10.890 23.550 1.00 20.00 C ATOM 728 OE1 GLN A 53 39.667 11.064 22.373 1.00 20.00 O ATOM 729 NE2 GLN A 53 40.027 9.671 24.085 1.00 20.00 N ATOM 0 H GLN A 53 40.105 12.904 27.186 1.00 20.00 H new ATOM 0 HA GLN A 53 39.923 14.711 24.965 1.00 20.00 H new ATOM 0 HB2 GLN A 53 38.517 12.111 25.668 1.00 20.00 H new ATOM 0 HB3 GLN A 53 38.347 12.952 24.140 1.00 20.00 H new ATOM 0 HG2 GLN A 53 40.905 12.802 23.891 1.00 20.00 H new ATOM 0 HG3 GLN A 53 40.908 11.747 25.291 1.00 20.00 H new ATOM 0 HE21 GLN A 53 40.284 9.555 25.065 1.00 20.00 H new ATOM 0 HE22 GLN A 53 39.811 8.854 23.514 1.00 20.00 H new ATOM 738 N CYS A 54 37.932 16.091 25.515 1.00 20.00 N ATOM 739 CA CYS A 54 36.897 17.044 25.897 1.00 20.00 C ATOM 740 C CYS A 54 36.446 17.863 24.671 1.00 20.00 C ATOM 741 O CYS A 54 35.536 17.428 23.965 1.00 20.00 O ATOM 742 CB CYS A 54 37.445 17.869 27.073 1.00 20.00 C ATOM 743 SG CYS A 54 36.315 19.081 27.796 1.00 20.00 S ATOM 0 H CYS A 54 38.559 16.451 24.796 1.00 20.00 H new ATOM 0 HA CYS A 54 35.985 16.556 26.241 1.00 20.00 H new ATOM 0 HB2 CYS A 54 37.756 17.180 27.858 1.00 20.00 H new ATOM 0 HB3 CYS A 54 38.339 18.393 26.736 1.00 20.00 H new ATOM 748 N LYS A 55 37.065 19.026 24.411 1.00 20.00 N ATOM 749 CA LYS A 55 36.770 19.934 23.301 1.00 20.00 C ATOM 750 C LYS A 55 38.025 20.757 22.958 1.00 20.00 C ATOM 751 O LYS A 55 38.902 20.926 23.804 1.00 20.00 O ATOM 752 CB LYS A 55 35.601 20.840 23.732 1.00 20.00 C ATOM 753 CG LYS A 55 34.877 21.525 22.560 1.00 20.00 C ATOM 754 CD LYS A 55 33.613 22.273 23.021 1.00 20.00 C ATOM 755 CE LYS A 55 33.917 23.595 23.735 1.00 20.00 C ATOM 756 NZ LYS A 55 34.254 24.668 22.782 1.00 20.00 N ATOM 0 H LYS A 55 37.822 19.372 25.001 1.00 20.00 H new ATOM 0 HA LYS A 55 36.487 19.382 22.405 1.00 20.00 H new ATOM 0 HB2 LYS A 55 34.881 20.245 24.293 1.00 20.00 H new ATOM 0 HB3 LYS A 55 35.979 21.605 24.410 1.00 20.00 H new ATOM 0 HG2 LYS A 55 35.556 22.226 22.074 1.00 20.00 H new ATOM 0 HG3 LYS A 55 34.604 20.777 21.815 1.00 20.00 H new ATOM 0 HD2 LYS A 55 32.981 22.473 22.155 1.00 20.00 H new ATOM 0 HD3 LYS A 55 33.042 21.629 23.690 1.00 20.00 H new ATOM 0 HE2 LYS A 55 33.053 23.894 24.329 1.00 20.00 H new ATOM 0 HE3 LYS A 55 34.746 23.451 24.428 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 34.453 25.546 23.303 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 35.094 24.394 22.233 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 33.454 24.823 22.136 1.00 20.00 H new ATOM 770 N GLU A 56 38.097 21.294 21.732 1.00 20.00 N ATOM 771 CA GLU A 56 39.242 22.047 21.214 1.00 20.00 C ATOM 772 C GLU A 56 38.771 23.352 20.571 1.00 20.00 C ATOM 773 O GLU A 56 37.820 23.360 19.789 1.00 20.00 O ATOM 774 CB GLU A 56 39.997 21.171 20.206 1.00 20.00 C ATOM 775 CG GLU A 56 41.304 21.791 19.705 1.00 20.00 C ATOM 776 CD GLU A 56 41.883 21.045 18.500 1.00 20.00 C ATOM 777 OE1 GLU A 56 41.896 19.794 18.529 1.00 20.00 O ATOM 778 OE2 GLU A 56 42.317 21.737 17.553 1.00 20.00 O ATOM 0 H GLU A 56 37.337 21.213 21.056 1.00 20.00 H new ATOM 0 HA GLU A 56 39.916 22.308 22.030 1.00 20.00 H new ATOM 0 HB2 GLU A 56 40.216 20.208 20.668 1.00 20.00 H new ATOM 0 HB3 GLU A 56 39.348 20.974 19.352 1.00 20.00 H new ATOM 0 HG2 GLU A 56 41.128 22.832 19.433 1.00 20.00 H new ATOM 0 HG3 GLU A 56 42.035 21.792 20.513 1.00 20.00 H new ATOM 785 N LEU A 57 39.450 24.451 20.917 1.00 20.00 N ATOM 786 CA LEU A 57 39.073 25.809 20.565 1.00 20.00 C ATOM 787 C LEU A 57 40.292 26.738 20.661 1.00 20.00 C ATOM 788 O LEU A 57 40.706 27.121 21.755 1.00 20.00 O ATOM 789 CB LEU A 57 37.916 26.216 21.493 1.00 20.00 C ATOM 790 CG LEU A 57 37.528 27.701 21.463 1.00 20.00 C ATOM 791 CD1 LEU A 57 37.195 28.194 20.051 1.00 20.00 C ATOM 792 CD2 LEU A 57 36.312 27.909 22.368 1.00 20.00 C ATOM 0 H LEU A 57 40.306 24.409 21.469 1.00 20.00 H new ATOM 0 HA LEU A 57 38.731 25.883 19.533 1.00 20.00 H new ATOM 0 HB2 LEU A 57 37.039 25.625 21.230 1.00 20.00 H new ATOM 0 HB3 LEU A 57 38.184 25.950 22.516 1.00 20.00 H new ATOM 0 HG LEU A 57 38.385 28.276 21.813 1.00 20.00 H new ATOM 0 HD11 LEU A 57 36.928 29.250 20.088 1.00 20.00 H new ATOM 0 HD12 LEU A 57 38.063 28.062 19.405 1.00 20.00 H new ATOM 0 HD13 LEU A 57 36.357 27.621 19.654 1.00 20.00 H new ATOM 0 HD21 LEU A 57 36.025 28.961 22.356 1.00 20.00 H new ATOM 0 HD22 LEU A 57 35.482 27.302 22.007 1.00 20.00 H new ATOM 0 HD23 LEU A 57 36.562 27.612 23.387 1.00 20.00 H new ATOM 804 N GLN A 58 40.855 27.094 19.499 1.00 20.00 N ATOM 805 CA GLN A 58 42.064 27.907 19.342 1.00 20.00 C ATOM 806 C GLN A 58 41.932 29.371 19.809 1.00 20.00 C ATOM 807 O GLN A 58 42.923 30.100 19.803 1.00 20.00 O ATOM 808 CB GLN A 58 42.517 27.862 17.871 1.00 20.00 C ATOM 809 CG GLN A 58 41.520 28.490 16.880 1.00 20.00 C ATOM 810 CD GLN A 58 42.153 28.723 15.506 1.00 20.00 C ATOM 811 OE1 GLN A 58 42.947 29.646 15.337 1.00 20.00 O ATOM 812 NE2 GLN A 58 41.797 27.918 14.506 1.00 20.00 N ATOM 0 H GLN A 58 40.460 26.809 18.603 1.00 20.00 H new ATOM 0 HA GLN A 58 42.810 27.465 20.002 1.00 20.00 H new ATOM 0 HB2 GLN A 58 43.473 28.378 17.782 1.00 20.00 H new ATOM 0 HB3 GLN A 58 42.687 26.823 17.587 1.00 20.00 H new ATOM 0 HG2 GLN A 58 40.653 27.838 16.775 1.00 20.00 H new ATOM 0 HG3 GLN A 58 41.159 29.438 17.279 1.00 20.00 H new ATOM 0 HE21 GLN A 58 41.136 27.159 14.673 1.00 20.00 H new ATOM 0 HE22 GLN A 58 42.185 28.060 13.574 1.00 20.00 H new ATOM 821 N ALA A 59 40.726 29.819 20.181 1.00 20.00 N ATOM 822 CA ALA A 59 40.437 31.203 20.537 1.00 20.00 C ATOM 823 C ALA A 59 41.133 31.661 21.828 1.00 20.00 C ATOM 824 O ALA A 59 41.521 32.825 21.921 1.00 20.00 O ATOM 825 CB ALA A 59 38.924 31.355 20.682 1.00 20.00 C ATOM 0 H ALA A 59 39.909 29.211 20.242 1.00 20.00 H new ATOM 0 HA ALA A 59 40.828 31.838 19.742 1.00 20.00 H new ATOM 0 HB1 ALA A 59 38.686 32.385 20.949 1.00 20.00 H new ATOM 0 HB2 ALA A 59 38.441 31.103 19.738 1.00 20.00 H new ATOM 0 HB3 ALA A 59 38.564 30.685 21.463 1.00 20.00 H new ATOM 831 N GLU A 60 41.283 30.765 22.815 1.00 20.00 N ATOM 832 CA GLU A 60 41.718 31.099 24.174 1.00 20.00 C ATOM 833 C GLU A 60 42.730 30.088 24.696 1.00 20.00 C ATOM 834 O GLU A 60 43.787 30.476 25.194 1.00 20.00 O ATOM 835 CB GLU A 60 40.492 31.148 25.106 1.00 20.00 C ATOM 836 CG GLU A 60 39.599 32.361 24.818 1.00 20.00 C ATOM 837 CD GLU A 60 38.376 32.421 25.735 1.00 20.00 C ATOM 838 OE1 GLU A 60 38.569 32.440 26.971 1.00 20.00 O ATOM 839 OE2 GLU A 60 37.254 32.463 25.184 1.00 20.00 O ATOM 0 H GLU A 60 41.101 29.770 22.686 1.00 20.00 H new ATOM 0 HA GLU A 60 42.203 32.075 24.151 1.00 20.00 H new ATOM 0 HB2 GLU A 60 39.910 30.234 24.988 1.00 20.00 H new ATOM 0 HB3 GLU A 60 40.826 31.182 26.143 1.00 20.00 H new ATOM 0 HG2 GLU A 60 40.183 33.274 24.937 1.00 20.00 H new ATOM 0 HG3 GLU A 60 39.269 32.326 23.780 1.00 20.00 H new ATOM 846 N SER A 61 42.408 28.796 24.572 1.00 20.00 N ATOM 847 CA SER A 61 43.267 27.713 25.035 1.00 20.00 C ATOM 848 C SER A 61 44.576 27.567 24.242 1.00 20.00 C ATOM 849 O SER A 61 45.451 26.841 24.696 1.00 20.00 O ATOM 850 CB SER A 61 42.494 26.409 25.088 1.00 20.00 C ATOM 851 OG SER A 61 42.179 25.921 23.803 1.00 20.00 O ATOM 0 H SER A 61 41.539 28.476 24.145 1.00 20.00 H new ATOM 0 HA SER A 61 43.580 27.981 26.044 1.00 20.00 H new ATOM 0 HB2 SER A 61 43.081 25.663 25.624 1.00 20.00 H new ATOM 0 HB3 SER A 61 41.574 26.557 25.654 1.00 20.00 H new ATOM 0 HG SER A 61 41.643 26.586 23.323 1.00 20.00 H new ATOM 857 N ALA A 62 44.754 28.256 23.101 1.00 20.00 N ATOM 858 CA ALA A 62 45.947 28.150 22.256 1.00 20.00 C ATOM 859 C ALA A 62 47.268 28.499 22.965 1.00 20.00 C ATOM 860 O ALA A 62 48.319 28.043 22.514 1.00 20.00 O ATOM 861 CB ALA A 62 45.765 29.029 21.017 1.00 20.00 C ATOM 0 H ALA A 62 44.061 28.910 22.739 1.00 20.00 H new ATOM 0 HA ALA A 62 46.037 27.099 21.982 1.00 20.00 H new ATOM 0 HB1 ALA A 62 46.650 28.954 20.385 1.00 20.00 H new ATOM 0 HB2 ALA A 62 44.891 28.694 20.459 1.00 20.00 H new ATOM 0 HB3 ALA A 62 45.625 30.066 21.324 1.00 20.00 H new ATOM 867 N SER A 63 47.222 29.243 24.081 1.00 20.00 N ATOM 868 CA SER A 63 48.373 29.552 24.926 1.00 20.00 C ATOM 869 C SER A 63 48.140 29.149 26.394 1.00 20.00 C ATOM 870 O SER A 63 48.616 29.829 27.304 1.00 20.00 O ATOM 871 CB SER A 63 48.768 31.023 24.741 1.00 20.00 C ATOM 872 OG SER A 63 47.739 31.900 25.148 1.00 20.00 O ATOM 0 H SER A 63 46.355 29.656 24.425 1.00 20.00 H new ATOM 0 HA SER A 63 49.222 28.947 24.609 1.00 20.00 H new ATOM 0 HB2 SER A 63 49.671 31.231 25.315 1.00 20.00 H new ATOM 0 HB3 SER A 63 49.007 31.206 23.693 1.00 20.00 H new ATOM 0 HG SER A 63 48.028 32.827 25.017 1.00 20.00 H new ATOM 878 N CYS A 64 47.410 28.047 26.633 1.00 20.00 N ATOM 879 CA CYS A 64 47.208 27.489 27.972 1.00 20.00 C ATOM 880 C CYS A 64 48.400 26.660 28.481 1.00 20.00 C ATOM 881 O CYS A 64 48.460 26.368 29.676 1.00 20.00 O ATOM 882 CB CYS A 64 45.919 26.654 28.018 1.00 20.00 C ATOM 883 SG CYS A 64 44.960 27.061 29.509 1.00 20.00 S ATOM 0 H CYS A 64 46.943 27.519 25.896 1.00 20.00 H new ATOM 0 HA CYS A 64 47.118 28.342 28.645 1.00 20.00 H new ATOM 0 HB2 CYS A 64 45.320 26.847 27.128 1.00 20.00 H new ATOM 0 HB3 CYS A 64 46.165 25.592 28.013 1.00 20.00 H new ATOM 888 N GLY A 65 49.340 26.294 27.594 1.00 20.00 N ATOM 889 CA GLY A 65 50.504 25.467 27.891 1.00 20.00 C ATOM 890 C GLY A 65 50.076 24.044 28.240 1.00 20.00 C ATOM 891 O GLY A 65 49.714 23.276 27.347 1.00 20.00 O ATOM 0 H GLY A 65 49.302 26.581 26.616 1.00 20.00 H new ATOM 0 HA2 GLY A 65 51.174 25.451 27.032 1.00 20.00 H new ATOM 0 HA3 GLY A 65 51.062 25.899 28.722 1.00 20.00 H new ATOM 895 N LYS A 66 50.097 23.717 29.541 1.00 20.00 N ATOM 896 CA LYS A 66 49.596 22.468 30.103 1.00 20.00 C ATOM 897 C LYS A 66 48.063 22.446 30.016 1.00 20.00 C ATOM 898 O LYS A 66 47.376 22.952 30.903 1.00 20.00 O ATOM 899 CB LYS A 66 50.102 22.313 31.549 1.00 20.00 C ATOM 900 CG LYS A 66 49.836 20.913 32.131 1.00 20.00 C ATOM 901 CD LYS A 66 50.869 19.851 31.717 1.00 20.00 C ATOM 902 CE LYS A 66 52.285 20.114 32.254 1.00 20.00 C ATOM 903 NZ LYS A 66 52.329 20.164 33.730 1.00 20.00 N ATOM 0 H LYS A 66 50.479 24.342 30.251 1.00 20.00 H new ATOM 0 HA LYS A 66 49.970 21.618 29.533 1.00 20.00 H new ATOM 0 HB2 LYS A 66 51.173 22.515 31.577 1.00 20.00 H new ATOM 0 HB3 LYS A 66 49.620 23.060 32.179 1.00 20.00 H new ATOM 0 HG2 LYS A 66 49.818 20.981 33.219 1.00 20.00 H new ATOM 0 HG3 LYS A 66 48.846 20.583 31.816 1.00 20.00 H new ATOM 0 HD2 LYS A 66 50.533 18.876 32.069 1.00 20.00 H new ATOM 0 HD3 LYS A 66 50.908 19.801 30.629 1.00 20.00 H new ATOM 0 HE2 LYS A 66 52.956 19.331 31.900 1.00 20.00 H new ATOM 0 HE3 LYS A 66 52.654 21.057 31.850 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 53.318 20.225 34.046 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 51.807 20.999 34.065 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 51.893 19.304 34.120 1.00 20.00 H new ATOM 917 N GLY A 67 47.532 21.856 28.940 1.00 20.00 N ATOM 918 CA GLY A 67 46.106 21.654 28.730 1.00 20.00 C ATOM 919 C GLY A 67 45.474 22.762 27.900 1.00 20.00 C ATOM 920 O GLY A 67 44.549 23.428 28.351 1.00 20.00 O ATOM 0 H GLY A 67 48.103 21.498 28.174 1.00 20.00 H new ATOM 0 HA2 GLY A 67 45.948 20.697 28.233 1.00 20.00 H new ATOM 0 HA3 GLY A 67 45.605 21.598 29.696 1.00 20.00 H new ATOM 924 N GLN A 68 45.966 22.922 26.670 1.00 20.00 N ATOM 925 CA GLN A 68 45.521 23.859 25.638 1.00 20.00 C ATOM 926 C GLN A 68 44.205 23.473 24.937 1.00 20.00 C ATOM 927 O GLN A 68 44.019 23.677 23.737 1.00 20.00 O ATOM 928 CB GLN A 68 46.651 24.036 24.634 1.00 20.00 C ATOM 929 CG GLN A 68 47.042 22.685 24.048 1.00 20.00 C ATOM 930 CD GLN A 68 47.767 22.840 22.712 1.00 20.00 C ATOM 931 OE1 GLN A 68 47.140 23.126 21.695 1.00 20.00 O ATOM 932 NE2 GLN A 68 49.086 22.657 22.693 1.00 20.00 N ATOM 0 H GLN A 68 46.748 22.354 26.345 1.00 20.00 H new ATOM 0 HA GLN A 68 45.287 24.800 26.136 1.00 20.00 H new ATOM 0 HB2 GLN A 68 46.338 24.711 23.837 1.00 20.00 H new ATOM 0 HB3 GLN A 68 47.512 24.494 25.120 1.00 20.00 H new ATOM 0 HG2 GLN A 68 47.684 22.155 24.751 1.00 20.00 H new ATOM 0 HG3 GLN A 68 46.149 22.076 23.909 1.00 20.00 H new ATOM 0 HE21 GLN A 68 49.580 22.420 23.553 1.00 20.00 H new ATOM 0 HE22 GLN A 68 49.602 22.754 21.818 1.00 20.00 H new ATOM 941 N LYS A 69 43.300 22.903 25.718 1.00 20.00 N ATOM 942 CA LYS A 69 41.964 22.466 25.328 1.00 20.00 C ATOM 943 C LYS A 69 40.876 23.188 26.128 1.00 20.00 C ATOM 944 O LYS A 69 40.561 22.821 27.260 1.00 20.00 O ATOM 945 CB LYS A 69 41.819 20.974 25.557 1.00 20.00 C ATOM 946 CG LYS A 69 42.753 20.095 24.732 1.00 20.00 C ATOM 947 CD LYS A 69 42.383 20.046 23.247 1.00 20.00 C ATOM 948 CE LYS A 69 43.226 18.971 22.559 1.00 20.00 C ATOM 949 NZ LYS A 69 42.811 18.759 21.163 1.00 20.00 N ATOM 0 H LYS A 69 43.489 22.721 26.704 1.00 20.00 H new ATOM 0 HA LYS A 69 41.841 22.705 24.272 1.00 20.00 H new ATOM 0 HB2 LYS A 69 41.990 20.767 26.613 1.00 20.00 H new ATOM 0 HB3 LYS A 69 40.790 20.688 25.339 1.00 20.00 H new ATOM 0 HG2 LYS A 69 43.773 20.465 24.833 1.00 20.00 H new ATOM 0 HG3 LYS A 69 42.740 19.083 25.136 1.00 20.00 H new ATOM 0 HD2 LYS A 69 41.322 19.824 23.130 1.00 20.00 H new ATOM 0 HD3 LYS A 69 42.559 21.017 22.783 1.00 20.00 H new ATOM 0 HE2 LYS A 69 44.276 19.261 22.586 1.00 20.00 H new ATOM 0 HE3 LYS A 69 43.140 18.034 23.110 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 43.562 18.254 20.651 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 41.938 18.195 21.142 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 42.640 19.679 20.708 1.00 20.00 H new ATOM 963 N CYS A 70 40.299 24.207 25.498 1.00 20.00 N ATOM 964 CA CYS A 70 39.152 24.975 25.995 1.00 20.00 C ATOM 965 C CYS A 70 37.861 24.159 25.893 1.00 20.00 C ATOM 966 O CYS A 70 37.492 23.708 24.806 1.00 20.00 O ATOM 967 CB CYS A 70 38.969 26.313 25.254 1.00 20.00 C ATOM 968 SG CYS A 70 38.790 27.730 26.376 1.00 20.00 S ATOM 0 H CYS A 70 40.628 24.537 24.591 1.00 20.00 H new ATOM 0 HA CYS A 70 39.365 25.197 27.041 1.00 20.00 H new ATOM 0 HB2 CYS A 70 39.826 26.480 24.601 1.00 20.00 H new ATOM 0 HB3 CYS A 70 38.088 26.250 24.615 1.00 20.00 H new ATOM 973 N CYS A 71 37.158 24.031 27.024 1.00 20.00 N ATOM 974 CA CYS A 71 35.853 23.394 27.150 1.00 20.00 C ATOM 975 C CYS A 71 34.880 24.339 27.849 1.00 20.00 C ATOM 976 O CYS A 71 35.226 24.957 28.854 1.00 20.00 O ATOM 977 CB CYS A 71 35.977 22.080 27.923 1.00 20.00 C ATOM 978 SG CYS A 71 37.062 20.859 27.150 1.00 20.00 S ATOM 0 H CYS A 71 37.504 24.387 27.915 1.00 20.00 H new ATOM 0 HA CYS A 71 35.469 23.170 26.155 1.00 20.00 H new ATOM 0 HB2 CYS A 71 36.348 22.296 28.925 1.00 20.00 H new ATOM 0 HB3 CYS A 71 34.984 21.645 28.038 1.00 20.00 H new ATOM 983 N VAL A 72 33.658 24.431 27.314 1.00 20.00 N ATOM 984 CA VAL A 72 32.554 25.205 27.879 1.00 20.00 C ATOM 985 C VAL A 72 31.226 24.543 27.484 1.00 20.00 C ATOM 986 O VAL A 72 31.126 23.940 26.413 1.00 20.00 O ATOM 987 CB VAL A 72 32.662 26.678 27.409 1.00 20.00 C ATOM 988 CG1 VAL A 72 32.198 26.891 25.960 1.00 20.00 C ATOM 989 CG2 VAL A 72 31.886 27.638 28.319 1.00 20.00 C ATOM 0 H VAL A 72 33.405 23.953 26.449 1.00 20.00 H new ATOM 0 HA VAL A 72 32.600 25.217 28.968 1.00 20.00 H new ATOM 0 HB VAL A 72 33.727 26.903 27.465 1.00 20.00 H new ATOM 0 HG11 VAL A 72 32.300 27.944 25.696 1.00 20.00 H new ATOM 0 HG12 VAL A 72 32.810 26.288 25.290 1.00 20.00 H new ATOM 0 HG13 VAL A 72 31.154 26.593 25.865 1.00 20.00 H new ATOM 0 HG21 VAL A 72 31.993 28.657 27.948 1.00 20.00 H new ATOM 0 HG22 VAL A 72 30.831 27.362 28.324 1.00 20.00 H new ATOM 0 HG23 VAL A 72 32.282 27.578 29.333 1.00 20.00 H new ATOM 999 N TRP A 73 30.205 24.695 28.339 1.00 20.00 N ATOM 1000 CA TRP A 73 28.845 24.187 28.163 1.00 20.00 C ATOM 1001 C TRP A 73 27.814 25.265 28.539 1.00 20.00 C ATOM 1002 O TRP A 73 28.186 26.399 28.850 1.00 20.00 O ATOM 1003 CB TRP A 73 28.672 22.906 28.999 1.00 20.00 C ATOM 1004 CG TRP A 73 29.683 21.813 28.790 1.00 20.00 C ATOM 1005 CD1 TRP A 73 30.105 21.348 27.593 1.00 20.00 C ATOM 1006 CD2 TRP A 73 30.401 21.026 29.790 1.00 20.00 C ATOM 1007 NE1 TRP A 73 31.060 20.371 27.773 1.00 20.00 N ATOM 1008 CE2 TRP A 73 31.277 20.125 29.111 1.00 20.00 C ATOM 1009 CE3 TRP A 73 30.411 20.987 31.201 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 32.108 19.223 29.796 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 31.240 20.089 31.898 1.00 20.00 C ATOM 1012 CH2 TRP A 73 32.080 19.202 31.200 1.00 20.00 C ATOM 0 H TRP A 73 30.316 25.203 29.217 1.00 20.00 H new ATOM 0 HA TRP A 73 28.675 23.938 27.116 1.00 20.00 H new ATOM 0 HB2 TRP A 73 28.687 23.185 30.053 1.00 20.00 H new ATOM 0 HB3 TRP A 73 27.683 22.497 28.792 1.00 20.00 H new ATOM 0 HD1 TRP A 73 29.746 21.692 26.634 1.00 20.00 H new ATOM 0 HE1 TRP A 73 31.544 19.892 27.014 1.00 20.00 H new ATOM 0 HE3 TRP A 73 29.771 21.658 31.755 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 32.759 18.555 29.251 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 31.232 20.080 32.978 1.00 20.00 H new ATOM 0 HH2 TRP A 73 32.702 18.506 31.743 1.00 20.00 H new ATOM 1023 N LEU A 74 26.519 24.917 28.486 1.00 20.00 N ATOM 1024 CA LEU A 74 25.407 25.791 28.851 1.00 20.00 C ATOM 1025 C LEU A 74 25.478 26.181 30.337 1.00 20.00 C ATOM 1026 O LEU A 74 25.346 27.360 30.654 1.00 20.00 O ATOM 1027 CB LEU A 74 24.089 25.087 28.471 1.00 20.00 C ATOM 1028 CG LEU A 74 22.826 25.973 28.499 1.00 20.00 C ATOM 1029 CD1 LEU A 74 21.772 25.389 27.553 1.00 20.00 C ATOM 1030 CD2 LEU A 74 22.200 26.092 29.894 1.00 20.00 C ATOM 0 H LEU A 74 26.214 23.993 28.179 1.00 20.00 H new ATOM 0 HA LEU A 74 25.463 26.730 28.300 1.00 20.00 H new ATOM 0 HB2 LEU A 74 24.196 24.671 27.469 1.00 20.00 H new ATOM 0 HB3 LEU A 74 23.937 24.248 29.150 1.00 20.00 H new ATOM 0 HG LEU A 74 23.141 26.969 28.188 1.00 20.00 H new ATOM 0 HD11 LEU A 74 20.879 26.014 27.572 1.00 20.00 H new ATOM 0 HD12 LEU A 74 22.171 25.357 26.539 1.00 20.00 H new ATOM 0 HD13 LEU A 74 21.515 24.380 27.874 1.00 20.00 H new ATOM 0 HD21 LEU A 74 21.316 26.728 29.843 1.00 20.00 H new ATOM 0 HD22 LEU A 74 21.915 25.102 30.250 1.00 20.00 H new ATOM 0 HD23 LEU A 74 22.924 26.530 30.581 1.00 20.00 H new ATOM 1042 N HIS A 75 25.726 25.210 31.229 1.00 20.00 N ATOM 1043 CA HIS A 75 25.952 25.421 32.659 1.00 20.00 C ATOM 1044 C HIS A 75 27.334 26.025 32.937 1.00 20.00 C ATOM 1045 O HIS A 75 27.424 26.790 33.922 1.00 20.00 O ATOM 1046 CB HIS A 75 25.808 24.092 33.411 1.00 20.00 C ATOM 1047 CG HIS A 75 24.385 23.601 33.516 1.00 20.00 C ATOM 1048 ND1 HIS A 75 23.661 22.982 32.516 1.00 20.00 N ATOM 1049 CD2 HIS A 75 23.606 23.652 34.639 1.00 20.00 C ATOM 1050 CE1 HIS A 75 22.458 22.656 33.031 1.00 20.00 C ATOM 1051 NE2 HIS A 75 22.404 23.057 34.312 1.00 20.00 N ATOM 1052 OXT HIS A 75 28.290 25.686 32.205 1.00 20.00 O ATOM 0 H HIS A 75 25.775 24.227 30.962 1.00 20.00 H new ATOM 0 HA HIS A 75 25.202 26.130 33.010 1.00 20.00 H new ATOM 0 HB2 HIS A 75 26.408 23.334 32.907 1.00 20.00 H new ATOM 0 HB3 HIS A 75 26.217 24.207 34.415 1.00 20.00 H new ATOM 0 HD2 HIS A 75 23.878 24.075 35.595 1.00 20.00 H new ATOM 0 HE1 HIS A 75 21.665 22.153 32.498 1.00 20.00 H new ATOM 0 HE2 HIS A 75 21.608 22.941 34.939 1.00 20.00 H new TER 1061 HIS A 75