USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 624 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 28 HIS : no HD1:sc= 0.857 K(o=2.2,f=-4!) USER MOD Set 1.2: A 53 TYR OH : rot -60:sc= 1.32 USER MOD Set 2.1: A 7 THR OG1 : rot 68:sc= 1.27 USER MOD Set 2.2: A 42 HIS : no HE2:sc= 1.09 K(o=2.4,f=-5.4!) USER MOD Set 3.1: A 10 ASN : amide:sc= 0.385 K(o=0.72,f=-0.052) USER MOD Set 3.2: A 69 TYR OH : rot 80:sc= 0.337 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0943 (180deg=-0.385) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -130:sc= -0.105 (180deg=-0.622) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.44) USER MOD Single : A 17 ASN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 20 THR OG1 : rot 170:sc= 0.736 USER MOD Single : A 30 SER OG : rot -47:sc= 0.813 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 1.22 (180deg=-0.0119) USER MOD Single : A 43 GLN : amide:sc= 0.169 K(o=0.17,f=-7.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 158:sc= -0.206 (180deg=-0.925) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0131 K(o=0.013,f=-0.83) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.035) USER MOD Single : A 57 GLN : amide:sc= -4.09! K(o=-4.1!,f=-0.86) USER MOD Single : A 61 THR OG1 : rot 109:sc= 1.02 USER MOD Single : A 62 THR OG1 : rot 102:sc= 0.31 USER MOD Single : A 63 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 157:sc= -0.147 (180deg=-0.791) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 75 HIS : no HE2:sc= -0.981 K(o=-0.98,f=-3!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.614 -16.086 -2.026 1.00 42.30 N ATOM 2 CA MET A 1 17.758 -16.242 -0.818 1.00 12.52 C ATOM 3 C MET A 1 16.311 -15.798 -1.091 1.00 41.53 C ATOM 4 O MET A 1 15.367 -16.575 -0.923 1.00 74.13 O ATOM 5 CB MET A 1 18.345 -15.441 0.357 1.00 52.23 C ATOM 6 CG MET A 1 17.535 -15.554 1.644 1.00 50.22 C ATOM 7 SD MET A 1 17.298 -17.265 2.163 1.00 71.05 S ATOM 8 CE MET A 1 18.992 -17.800 2.395 1.00 63.04 C ATOM 0 H1 MET A 1 19.583 -16.394 -1.807 1.00 42.30 H new ATOM 0 H2 MET A 1 18.232 -16.667 -2.799 1.00 42.30 H new ATOM 0 H3 MET A 1 18.626 -15.087 -2.317 1.00 42.30 H new ATOM 0 HA MET A 1 17.740 -17.300 -0.557 1.00 12.52 H new ATOM 0 HB2 MET A 1 19.362 -15.785 0.547 1.00 52.23 H new ATOM 0 HB3 MET A 1 18.412 -14.391 0.072 1.00 52.23 H new ATOM 0 HG2 MET A 1 18.041 -15.004 2.437 1.00 50.22 H new ATOM 0 HG3 MET A 1 16.562 -15.083 1.500 1.00 50.22 H new ATOM 0 HE1 MET A 1 19.005 -18.731 2.962 1.00 63.04 H new ATOM 0 HE2 MET A 1 19.459 -17.960 1.423 1.00 63.04 H new ATOM 0 HE3 MET A 1 19.544 -17.035 2.941 1.00 63.04 H new ATOM 20 N ALA A 2 16.144 -14.545 -1.507 1.00 41.34 N ATOM 21 CA ALA A 2 14.817 -13.991 -1.799 1.00 51.20 C ATOM 22 C ALA A 2 14.852 -13.052 -3.016 1.00 33.23 C ATOM 23 O ALA A 2 15.872 -12.930 -3.700 1.00 32.31 O ATOM 24 CB ALA A 2 14.281 -13.259 -0.573 1.00 42.24 C ATOM 0 H ALA A 2 16.912 -13.889 -1.651 1.00 41.34 H new ATOM 0 HA ALA A 2 14.150 -14.817 -2.044 1.00 51.20 H new ATOM 0 HB1 ALA A 2 13.296 -12.850 -0.796 1.00 42.24 H new ATOM 0 HB2 ALA A 2 14.205 -13.955 0.262 1.00 42.24 H new ATOM 0 HB3 ALA A 2 14.959 -12.448 -0.308 1.00 42.24 H new ATOM 30 N GLY A 3 13.726 -12.397 -3.284 1.00 10.35 N ATOM 31 CA GLY A 3 13.646 -11.454 -4.396 1.00 22.42 C ATOM 32 C GLY A 3 12.816 -10.224 -4.057 1.00 45.45 C ATOM 33 O GLY A 3 11.916 -10.289 -3.217 1.00 22.04 O ATOM 0 H GLY A 3 12.862 -12.500 -2.751 1.00 10.35 H new ATOM 0 HA2 GLY A 3 14.652 -11.143 -4.678 1.00 22.42 H new ATOM 0 HA3 GLY A 3 13.212 -11.954 -5.262 1.00 22.42 H new ATOM 37 N ASP A 4 13.116 -9.103 -4.708 1.00 52.02 N ATOM 38 CA ASP A 4 12.402 -7.841 -4.471 1.00 42.20 C ATOM 39 C ASP A 4 11.273 -7.626 -5.503 1.00 31.34 C ATOM 40 O ASP A 4 11.522 -7.227 -6.639 1.00 74.41 O ATOM 41 CB ASP A 4 13.394 -6.662 -4.484 1.00 43.32 C ATOM 42 CG ASP A 4 14.388 -6.745 -5.633 1.00 15.45 C ATOM 43 OD1 ASP A 4 15.374 -7.506 -5.514 1.00 24.32 O ATOM 44 OD2 ASP A 4 14.192 -6.063 -6.661 1.00 34.41 O ATOM 0 H ASP A 4 13.853 -9.038 -5.410 1.00 52.02 H new ATOM 0 HA ASP A 4 11.934 -7.894 -3.488 1.00 42.20 H new ATOM 0 HB2 ASP A 4 12.839 -5.726 -4.555 1.00 43.32 H new ATOM 0 HB3 ASP A 4 13.938 -6.639 -3.539 1.00 43.32 H new ATOM 49 N PRO A 5 10.005 -7.898 -5.123 1.00 74.23 N ATOM 50 CA PRO A 5 8.861 -7.743 -6.035 1.00 32.41 C ATOM 51 C PRO A 5 8.441 -6.275 -6.218 1.00 73.05 C ATOM 52 O PRO A 5 7.874 -5.907 -7.246 1.00 34.44 O ATOM 53 CB PRO A 5 7.755 -8.543 -5.334 1.00 53.15 C ATOM 54 CG PRO A 5 8.080 -8.436 -3.881 1.00 41.21 C ATOM 55 CD PRO A 5 9.587 -8.385 -3.790 1.00 21.10 C ATOM 0 HA PRO A 5 9.089 -8.088 -7.043 1.00 32.41 H new ATOM 0 HB2 PRO A 5 6.769 -8.132 -5.552 1.00 53.15 H new ATOM 0 HB3 PRO A 5 7.747 -9.582 -5.663 1.00 53.15 H new ATOM 0 HG2 PRO A 5 7.633 -7.542 -3.447 1.00 41.21 H new ATOM 0 HG3 PRO A 5 7.685 -9.289 -3.330 1.00 41.21 H new ATOM 0 HD2 PRO A 5 9.917 -7.714 -2.997 1.00 21.10 H new ATOM 0 HD3 PRO A 5 10.008 -9.367 -3.573 1.00 21.10 H new ATOM 63 N MET A 6 8.719 -5.445 -5.202 1.00 63.40 N ATOM 64 CA MET A 6 8.363 -4.015 -5.223 1.00 71.43 C ATOM 65 C MET A 6 6.860 -3.795 -5.492 1.00 4.41 C ATOM 66 O MET A 6 6.442 -2.697 -5.852 1.00 3.21 O ATOM 67 CB MET A 6 9.209 -3.272 -6.269 1.00 31.03 C ATOM 68 CG MET A 6 10.706 -3.305 -5.976 1.00 1.52 C ATOM 69 SD MET A 6 11.123 -2.541 -4.396 1.00 51.33 S ATOM 70 CE MET A 6 10.680 -0.832 -4.708 1.00 5.42 C ATOM 0 H MET A 6 9.193 -5.741 -4.349 1.00 63.40 H new ATOM 0 HA MET A 6 8.577 -3.610 -4.234 1.00 71.43 H new ATOM 0 HB2 MET A 6 9.029 -3.712 -7.250 1.00 31.03 H new ATOM 0 HB3 MET A 6 8.880 -2.234 -6.320 1.00 31.03 H new ATOM 0 HG2 MET A 6 11.049 -4.339 -5.977 1.00 1.52 H new ATOM 0 HG3 MET A 6 11.240 -2.791 -6.775 1.00 1.52 H new ATOM 0 HE1 MET A 6 11.507 -0.183 -4.420 1.00 5.42 H new ATOM 0 HE2 MET A 6 10.467 -0.699 -5.769 1.00 5.42 H new ATOM 0 HE3 MET A 6 9.796 -0.573 -4.125 1.00 5.42 H new ATOM 80 N THR A 7 6.049 -4.826 -5.244 1.00 42.55 N ATOM 81 CA THR A 7 4.605 -4.797 -5.557 1.00 31.23 C ATOM 82 C THR A 7 3.790 -3.918 -4.587 1.00 72.15 C ATOM 83 O THR A 7 2.596 -4.136 -4.393 1.00 75.10 O ATOM 84 CB THR A 7 4.009 -6.226 -5.563 1.00 40.50 C ATOM 85 OG1 THR A 7 4.303 -6.891 -4.324 1.00 74.34 O ATOM 86 CG2 THR A 7 4.559 -7.044 -6.726 1.00 60.51 C ATOM 0 H THR A 7 6.364 -5.701 -4.824 1.00 42.55 H new ATOM 0 HA THR A 7 4.529 -4.355 -6.550 1.00 31.23 H new ATOM 0 HB THR A 7 2.929 -6.139 -5.681 1.00 40.50 H new ATOM 0 HG1 THR A 7 3.809 -6.459 -3.596 1.00 74.34 H new ATOM 0 HG21 THR A 7 4.124 -8.043 -6.706 1.00 60.51 H new ATOM 0 HG22 THR A 7 4.304 -6.556 -7.667 1.00 60.51 H new ATOM 0 HG23 THR A 7 5.643 -7.119 -6.638 1.00 60.51 H new ATOM 94 N PHE A 8 4.441 -2.932 -3.980 1.00 21.41 N ATOM 95 CA PHE A 8 3.750 -1.887 -3.213 1.00 4.34 C ATOM 96 C PHE A 8 4.045 -0.516 -3.836 1.00 14.12 C ATOM 97 O PHE A 8 3.140 0.185 -4.297 1.00 12.42 O ATOM 98 CB PHE A 8 4.184 -1.905 -1.740 1.00 0.12 C ATOM 99 CG PHE A 8 3.636 -0.751 -0.939 1.00 31.24 C ATOM 100 CD1 PHE A 8 2.298 -0.717 -0.572 1.00 42.23 C ATOM 101 CD2 PHE A 8 4.457 0.303 -0.554 1.00 52.23 C ATOM 102 CE1 PHE A 8 1.794 0.338 0.163 1.00 33.12 C ATOM 103 CE2 PHE A 8 3.956 1.359 0.180 1.00 51.14 C ATOM 104 CZ PHE A 8 2.623 1.377 0.539 1.00 33.04 C ATOM 0 H PHE A 8 5.456 -2.829 -4.002 1.00 21.41 H new ATOM 0 HA PHE A 8 2.678 -2.080 -3.248 1.00 4.34 H new ATOM 0 HB2 PHE A 8 3.859 -2.840 -1.285 1.00 0.12 H new ATOM 0 HB3 PHE A 8 5.273 -1.888 -1.690 1.00 0.12 H new ATOM 0 HD1 PHE A 8 1.643 -1.525 -0.865 1.00 42.23 H new ATOM 0 HD2 PHE A 8 5.500 0.295 -0.833 1.00 52.23 H new ATOM 0 HE1 PHE A 8 0.751 0.351 0.444 1.00 33.12 H new ATOM 0 HE2 PHE A 8 4.606 2.170 0.473 1.00 51.14 H new ATOM 0 HZ PHE A 8 2.229 2.202 1.113 1.00 33.04 H new ATOM 114 N TYR A 9 5.327 -0.152 -3.862 1.00 65.43 N ATOM 115 CA TYR A 9 5.777 1.081 -4.518 1.00 2.25 C ATOM 116 C TYR A 9 5.437 1.055 -6.020 1.00 45.30 C ATOM 117 O TYR A 9 5.242 2.097 -6.640 1.00 52.43 O ATOM 118 CB TYR A 9 7.291 1.260 -4.312 1.00 51.21 C ATOM 119 CG TYR A 9 7.875 2.491 -4.989 1.00 11.13 C ATOM 120 CD1 TYR A 9 7.705 3.760 -4.444 1.00 52.01 C ATOM 121 CD2 TYR A 9 8.601 2.380 -6.172 1.00 54.44 C ATOM 122 CE1 TYR A 9 8.235 4.880 -5.057 1.00 54.35 C ATOM 123 CE2 TYR A 9 9.134 3.496 -6.790 1.00 31.04 C ATOM 124 CZ TYR A 9 8.952 4.743 -6.230 1.00 50.44 C ATOM 125 OH TYR A 9 9.482 5.856 -6.848 1.00 62.42 O ATOM 0 H TYR A 9 6.077 -0.695 -3.435 1.00 65.43 H new ATOM 0 HA TYR A 9 5.256 1.926 -4.068 1.00 2.25 H new ATOM 0 HB2 TYR A 9 7.496 1.316 -3.243 1.00 51.21 H new ATOM 0 HB3 TYR A 9 7.804 0.375 -4.689 1.00 51.21 H new ATOM 0 HD1 TYR A 9 7.149 3.872 -3.525 1.00 52.01 H new ATOM 0 HD2 TYR A 9 8.750 1.406 -6.614 1.00 54.44 H new ATOM 0 HE1 TYR A 9 8.089 5.857 -4.621 1.00 54.35 H new ATOM 0 HE2 TYR A 9 9.692 3.391 -7.709 1.00 31.04 H new ATOM 0 HH TYR A 9 9.957 5.584 -7.661 1.00 62.42 H new ATOM 135 N ASN A 10 5.352 -0.149 -6.585 1.00 74.41 N ATOM 136 CA ASN A 10 5.002 -0.338 -8.000 1.00 44.42 C ATOM 137 C ASN A 10 3.666 0.342 -8.357 1.00 33.30 C ATOM 138 O ASN A 10 3.520 0.929 -9.431 1.00 71.22 O ATOM 139 CB ASN A 10 4.936 -1.838 -8.314 1.00 61.44 C ATOM 140 CG ASN A 10 4.645 -2.130 -9.772 1.00 0.53 C ATOM 141 OD1 ASN A 10 5.554 -2.218 -10.593 1.00 20.00 O ATOM 142 ND2 ASN A 10 3.384 -2.294 -10.104 1.00 33.34 N ATOM 0 H ASN A 10 5.522 -1.019 -6.081 1.00 74.41 H new ATOM 0 HA ASN A 10 5.776 0.132 -8.606 1.00 44.42 H new ATOM 0 HB2 ASN A 10 5.883 -2.302 -8.039 1.00 61.44 H new ATOM 0 HB3 ASN A 10 4.164 -2.298 -7.697 1.00 61.44 H new ATOM 0 HD21 ASN A 10 3.134 -2.502 -11.071 1.00 33.34 H new ATOM 0 HD22 ASN A 10 2.655 -2.214 -9.395 1.00 33.34 H new ATOM 149 N PHE A 11 2.691 0.255 -7.452 1.00 30.31 N ATOM 150 CA PHE A 11 1.385 0.894 -7.651 1.00 14.15 C ATOM 151 C PHE A 11 1.500 2.423 -7.611 1.00 53.02 C ATOM 152 O PHE A 11 1.046 3.121 -8.520 1.00 51.10 O ATOM 153 CB PHE A 11 0.391 0.426 -6.576 1.00 35.31 C ATOM 154 CG PHE A 11 -0.982 1.044 -6.696 1.00 42.31 C ATOM 155 CD1 PHE A 11 -1.937 0.490 -7.538 1.00 25.51 C ATOM 156 CD2 PHE A 11 -1.316 2.183 -5.971 1.00 51.54 C ATOM 157 CE1 PHE A 11 -3.193 1.056 -7.652 1.00 64.31 C ATOM 158 CE2 PHE A 11 -2.571 2.750 -6.084 1.00 34.05 C ATOM 159 CZ PHE A 11 -3.509 2.187 -6.927 1.00 65.33 C ATOM 0 H PHE A 11 2.779 -0.252 -6.571 1.00 30.31 H new ATOM 0 HA PHE A 11 1.021 0.600 -8.636 1.00 14.15 H new ATOM 0 HB2 PHE A 11 0.296 -0.658 -6.632 1.00 35.31 H new ATOM 0 HB3 PHE A 11 0.799 0.660 -5.593 1.00 35.31 H new ATOM 0 HD1 PHE A 11 -1.696 -0.393 -8.111 1.00 25.51 H new ATOM 0 HD2 PHE A 11 -0.586 2.629 -5.312 1.00 51.54 H new ATOM 0 HE1 PHE A 11 -3.927 0.613 -8.309 1.00 64.31 H new ATOM 0 HE2 PHE A 11 -2.818 3.633 -5.513 1.00 34.05 H new ATOM 0 HZ PHE A 11 -4.489 2.631 -7.019 1.00 65.33 H new ATOM 169 N ILE A 12 2.112 2.931 -6.548 1.00 21.13 N ATOM 170 CA ILE A 12 2.181 4.372 -6.307 1.00 64.22 C ATOM 171 C ILE A 12 3.335 5.032 -7.100 1.00 62.55 C ATOM 172 O ILE A 12 3.504 6.254 -7.075 1.00 45.25 O ATOM 173 CB ILE A 12 2.330 4.656 -4.785 1.00 11.43 C ATOM 174 CG1 ILE A 12 1.895 6.091 -4.447 1.00 43.24 C ATOM 175 CG2 ILE A 12 3.764 4.399 -4.318 1.00 52.14 C ATOM 176 CD1 ILE A 12 0.435 6.372 -4.737 1.00 2.52 C ATOM 0 H ILE A 12 2.571 2.365 -5.834 1.00 21.13 H new ATOM 0 HA ILE A 12 1.249 4.813 -6.661 1.00 64.22 H new ATOM 0 HB ILE A 12 1.673 3.970 -4.251 1.00 11.43 H new ATOM 0 HG12 ILE A 12 2.089 6.280 -3.391 1.00 43.24 H new ATOM 0 HG13 ILE A 12 2.509 6.790 -5.014 1.00 43.24 H new ATOM 0 HG21 ILE A 12 3.841 4.605 -3.250 1.00 52.14 H new ATOM 0 HG22 ILE A 12 4.027 3.358 -4.507 1.00 52.14 H new ATOM 0 HG23 ILE A 12 4.447 5.051 -4.864 1.00 52.14 H new ATOM 0 HD11 ILE A 12 0.204 7.404 -4.473 1.00 2.52 H new ATOM 0 HD12 ILE A 12 0.238 6.216 -5.798 1.00 2.52 H new ATOM 0 HD13 ILE A 12 -0.189 5.698 -4.149 1.00 2.52 H new ATOM 188 N MET A 13 4.122 4.216 -7.804 1.00 14.24 N ATOM 189 CA MET A 13 5.213 4.718 -8.650 1.00 24.32 C ATOM 190 C MET A 13 4.665 5.678 -9.720 1.00 53.43 C ATOM 191 O MET A 13 3.569 5.474 -10.249 1.00 62.24 O ATOM 192 CB MET A 13 5.961 3.544 -9.311 1.00 10.25 C ATOM 193 CG MET A 13 7.327 3.911 -9.887 1.00 0.31 C ATOM 194 SD MET A 13 7.237 5.067 -11.272 1.00 53.41 S ATOM 195 CE MET A 13 8.980 5.363 -11.577 1.00 63.32 C ATOM 0 H MET A 13 4.026 3.201 -7.806 1.00 14.24 H new ATOM 0 HA MET A 13 5.915 5.267 -8.022 1.00 24.32 H new ATOM 0 HB2 MET A 13 6.092 2.751 -8.574 1.00 10.25 H new ATOM 0 HB3 MET A 13 5.341 3.137 -10.110 1.00 10.25 H new ATOM 0 HG2 MET A 13 7.940 4.348 -9.098 1.00 0.31 H new ATOM 0 HG3 MET A 13 7.831 3.002 -10.215 1.00 0.31 H new ATOM 0 HE1 MET A 13 9.091 6.060 -12.408 1.00 63.32 H new ATOM 0 HE2 MET A 13 9.439 5.787 -10.684 1.00 63.32 H new ATOM 0 HE3 MET A 13 9.471 4.422 -11.825 1.00 63.32 H new ATOM 205 N GLY A 14 5.422 6.723 -10.034 1.00 5.52 N ATOM 206 CA GLY A 14 4.932 7.763 -10.933 1.00 42.54 C ATOM 207 C GLY A 14 4.406 8.974 -10.173 1.00 20.40 C ATOM 208 O GLY A 14 4.634 10.116 -10.569 1.00 11.02 O ATOM 0 H GLY A 14 6.368 6.873 -9.684 1.00 5.52 H new ATOM 0 HA2 GLY A 14 5.736 8.075 -11.599 1.00 42.54 H new ATOM 0 HA3 GLY A 14 4.139 7.356 -11.560 1.00 42.54 H new ATOM 212 N PHE A 15 3.703 8.718 -9.068 1.00 1.34 N ATOM 213 CA PHE A 15 3.226 9.787 -8.184 1.00 52.21 C ATOM 214 C PHE A 15 4.395 10.442 -7.430 1.00 33.22 C ATOM 215 O PHE A 15 4.290 11.579 -6.971 1.00 41.12 O ATOM 216 CB PHE A 15 2.187 9.242 -7.192 1.00 41.13 C ATOM 217 CG PHE A 15 0.897 8.806 -7.840 1.00 21.12 C ATOM 218 CD1 PHE A 15 0.757 7.526 -8.359 1.00 71.54 C ATOM 219 CD2 PHE A 15 -0.176 9.681 -7.933 1.00 44.03 C ATOM 220 CE1 PHE A 15 -0.425 7.129 -8.954 1.00 24.13 C ATOM 221 CE2 PHE A 15 -1.360 9.288 -8.528 1.00 45.23 C ATOM 222 CZ PHE A 15 -1.484 8.010 -9.039 1.00 44.22 C ATOM 0 H PHE A 15 3.450 7.778 -8.762 1.00 1.34 H new ATOM 0 HA PHE A 15 2.752 10.549 -8.802 1.00 52.21 H new ATOM 0 HB2 PHE A 15 2.618 8.396 -6.657 1.00 41.13 H new ATOM 0 HB3 PHE A 15 1.969 10.010 -6.450 1.00 41.13 H new ATOM 0 HD1 PHE A 15 1.582 6.832 -8.297 1.00 71.54 H new ATOM 0 HD2 PHE A 15 -0.085 10.681 -7.536 1.00 44.03 H new ATOM 0 HE1 PHE A 15 -0.520 6.130 -9.352 1.00 24.13 H new ATOM 0 HE2 PHE A 15 -2.187 9.979 -8.594 1.00 45.23 H new ATOM 0 HZ PHE A 15 -2.408 7.701 -9.504 1.00 44.22 H new ATOM 232 N GLN A 16 5.507 9.713 -7.305 1.00 72.21 N ATOM 233 CA GLN A 16 6.745 10.260 -6.730 1.00 23.45 C ATOM 234 C GLN A 16 7.346 11.295 -7.705 1.00 44.32 C ATOM 235 O GLN A 16 8.418 11.094 -8.277 1.00 42.30 O ATOM 236 CB GLN A 16 7.737 9.109 -6.453 1.00 32.41 C ATOM 237 CG GLN A 16 8.796 9.392 -5.378 1.00 31.12 C ATOM 238 CD GLN A 16 9.826 10.440 -5.775 1.00 23.00 C ATOM 239 OE1 GLN A 16 10.850 10.123 -6.373 1.00 70.35 O ATOM 240 NE2 GLN A 16 9.579 11.689 -5.434 1.00 53.42 N ATOM 0 H GLN A 16 5.578 8.738 -7.595 1.00 72.21 H new ATOM 0 HA GLN A 16 6.532 10.760 -5.785 1.00 23.45 H new ATOM 0 HB2 GLN A 16 7.169 8.227 -6.155 1.00 32.41 H new ATOM 0 HB3 GLN A 16 8.247 8.861 -7.384 1.00 32.41 H new ATOM 0 HG2 GLN A 16 8.294 9.719 -4.467 1.00 31.12 H new ATOM 0 HG3 GLN A 16 9.313 8.462 -5.140 1.00 31.12 H new ATOM 0 HE21 GLN A 16 8.719 11.922 -4.937 1.00 53.42 H new ATOM 0 HE22 GLN A 16 10.248 12.423 -5.667 1.00 53.42 H new ATOM 249 N ASN A 17 6.620 12.398 -7.886 1.00 34.15 N ATOM 250 CA ASN A 17 6.930 13.401 -8.910 1.00 71.53 C ATOM 251 C ASN A 17 5.855 14.503 -8.927 1.00 21.21 C ATOM 252 O ASN A 17 6.166 15.692 -9.017 1.00 53.02 O ATOM 253 CB ASN A 17 7.022 12.731 -10.294 1.00 74.15 C ATOM 254 CG ASN A 17 7.179 13.727 -11.428 1.00 62.12 C ATOM 255 OD1 ASN A 17 8.286 14.121 -11.784 1.00 24.43 O ATOM 256 ND2 ASN A 17 6.073 14.130 -12.021 1.00 44.44 N ATOM 0 H ASN A 17 5.798 12.624 -7.326 1.00 34.15 H new ATOM 0 HA ASN A 17 7.891 13.857 -8.671 1.00 71.53 H new ATOM 0 HB2 ASN A 17 7.868 12.043 -10.303 1.00 74.15 H new ATOM 0 HB3 ASN A 17 6.125 12.135 -10.463 1.00 74.15 H new ATOM 0 HD21 ASN A 17 6.122 14.788 -12.799 1.00 44.44 H new ATOM 0 HD22 ASN A 17 5.168 13.784 -11.702 1.00 44.44 H new ATOM 263 N ASP A 18 4.590 14.088 -8.844 1.00 62.22 N ATOM 264 CA ASP A 18 3.453 15.017 -8.868 1.00 73.32 C ATOM 265 C ASP A 18 2.975 15.383 -7.453 1.00 33.14 C ATOM 266 O ASP A 18 2.979 14.553 -6.541 1.00 23.10 O ATOM 267 CB ASP A 18 2.300 14.399 -9.662 1.00 75.53 C ATOM 268 CG ASP A 18 2.664 14.179 -11.118 1.00 71.34 C ATOM 269 OD1 ASP A 18 3.325 13.166 -11.427 1.00 75.53 O ATOM 270 OD2 ASP A 18 2.308 15.029 -11.960 1.00 11.45 O ATOM 0 H ASP A 18 4.323 13.107 -8.759 1.00 62.22 H new ATOM 0 HA ASP A 18 3.787 15.936 -9.349 1.00 73.32 H new ATOM 0 HB2 ASP A 18 2.019 13.447 -9.211 1.00 75.53 H new ATOM 0 HB3 ASP A 18 1.428 15.050 -9.601 1.00 75.53 H new ATOM 275 N ASN A 19 2.541 16.630 -7.288 1.00 62.23 N ATOM 276 CA ASN A 19 2.085 17.131 -5.988 1.00 51.11 C ATOM 277 C ASN A 19 0.626 16.730 -5.706 1.00 11.23 C ATOM 278 O ASN A 19 -0.305 17.510 -5.921 1.00 32.35 O ATOM 279 CB ASN A 19 2.235 18.656 -5.941 1.00 4.43 C ATOM 280 CG ASN A 19 3.653 19.107 -6.239 1.00 23.32 C ATOM 281 OD1 ASN A 19 4.620 18.422 -5.919 1.00 13.13 O ATOM 282 ND2 ASN A 19 3.791 20.260 -6.861 1.00 1.32 N ATOM 0 H ASN A 19 2.494 17.317 -8.040 1.00 62.23 H new ATOM 0 HA ASN A 19 2.705 16.679 -5.214 1.00 51.11 H new ATOM 0 HB2 ASN A 19 1.554 19.108 -6.662 1.00 4.43 H new ATOM 0 HB3 ASN A 19 1.941 19.017 -4.955 1.00 4.43 H new ATOM 0 HD21 ASN A 19 4.722 20.607 -7.090 1.00 1.32 H new ATOM 0 HD22 ASN A 19 2.967 20.805 -7.113 1.00 1.32 H new ATOM 289 N THR A 20 0.432 15.495 -5.254 1.00 5.32 N ATOM 290 CA THR A 20 -0.904 14.987 -4.896 1.00 43.31 C ATOM 291 C THR A 20 -0.865 14.273 -3.537 1.00 32.22 C ATOM 292 O THR A 20 0.202 13.843 -3.097 1.00 15.12 O ATOM 293 CB THR A 20 -1.441 13.985 -5.954 1.00 15.43 C ATOM 294 OG1 THR A 20 -0.618 12.806 -5.980 1.00 54.15 O ATOM 295 CG2 THR A 20 -1.488 14.612 -7.346 1.00 34.14 C ATOM 0 H THR A 20 1.183 14.818 -5.124 1.00 5.32 H new ATOM 0 HA THR A 20 -1.566 15.852 -4.852 1.00 43.31 H new ATOM 0 HB THR A 20 -2.458 13.715 -5.670 1.00 15.43 H new ATOM 0 HG1 THR A 20 -1.050 12.117 -6.527 1.00 54.15 H new ATOM 0 HG21 THR A 20 -1.869 13.883 -8.061 1.00 34.14 H new ATOM 0 HG22 THR A 20 -2.144 15.482 -7.331 1.00 34.14 H new ATOM 0 HG23 THR A 20 -0.485 14.919 -7.641 1.00 34.14 H new ATOM 303 N PRO A 21 -2.020 14.131 -2.843 1.00 0.21 N ATOM 304 CA PRO A 21 -2.096 13.370 -1.575 1.00 55.44 C ATOM 305 C PRO A 21 -1.484 11.961 -1.690 1.00 41.05 C ATOM 306 O PRO A 21 -0.964 11.409 -0.717 1.00 51.20 O ATOM 307 CB PRO A 21 -3.606 13.293 -1.305 1.00 62.04 C ATOM 308 CG PRO A 21 -4.162 14.506 -1.970 1.00 73.12 C ATOM 309 CD PRO A 21 -3.328 14.714 -3.209 1.00 31.02 C ATOM 0 HA PRO A 21 -1.530 13.847 -0.775 1.00 55.44 H new ATOM 0 HB2 PRO A 21 -4.038 12.381 -1.717 1.00 62.04 H new ATOM 0 HB3 PRO A 21 -3.819 13.292 -0.236 1.00 62.04 H new ATOM 0 HG2 PRO A 21 -5.212 14.365 -2.225 1.00 73.12 H new ATOM 0 HG3 PRO A 21 -4.107 15.373 -1.311 1.00 73.12 H new ATOM 0 HD2 PRO A 21 -3.763 14.214 -4.075 1.00 31.02 H new ATOM 0 HD3 PRO A 21 -3.240 15.771 -3.462 1.00 31.02 H new ATOM 317 N PHE A 22 -1.545 11.395 -2.894 1.00 64.30 N ATOM 318 CA PHE A 22 -0.922 10.101 -3.181 1.00 72.30 C ATOM 319 C PHE A 22 0.588 10.267 -3.442 1.00 53.13 C ATOM 320 O PHE A 22 1.399 9.436 -3.029 1.00 60.01 O ATOM 321 CB PHE A 22 -1.605 9.445 -4.389 1.00 40.41 C ATOM 322 CG PHE A 22 -3.081 9.185 -4.181 1.00 73.52 C ATOM 323 CD1 PHE A 22 -4.022 10.164 -4.475 1.00 13.40 C ATOM 324 CD2 PHE A 22 -3.526 7.965 -3.684 1.00 14.10 C ATOM 325 CE1 PHE A 22 -5.371 9.932 -4.279 1.00 32.45 C ATOM 326 CE2 PHE A 22 -4.874 7.730 -3.485 1.00 75.33 C ATOM 327 CZ PHE A 22 -5.797 8.714 -3.784 1.00 22.42 C ATOM 0 H PHE A 22 -2.022 11.814 -3.692 1.00 64.30 H new ATOM 0 HA PHE A 22 -1.047 9.456 -2.311 1.00 72.30 H new ATOM 0 HB2 PHE A 22 -1.477 10.086 -5.261 1.00 40.41 H new ATOM 0 HB3 PHE A 22 -1.106 8.502 -4.610 1.00 40.41 H new ATOM 0 HD1 PHE A 22 -3.696 11.118 -4.861 1.00 13.40 H new ATOM 0 HD2 PHE A 22 -2.810 7.191 -3.450 1.00 14.10 H new ATOM 0 HE1 PHE A 22 -6.091 10.702 -4.513 1.00 32.45 H new ATOM 0 HE2 PHE A 22 -5.205 6.778 -3.096 1.00 75.33 H new ATOM 0 HZ PHE A 22 -6.850 8.531 -3.631 1.00 22.42 H new ATOM 337 N GLY A 23 0.953 11.354 -4.126 1.00 44.05 N ATOM 338 CA GLY A 23 2.358 11.656 -4.380 1.00 71.00 C ATOM 339 C GLY A 23 3.159 11.870 -3.102 1.00 34.24 C ATOM 340 O GLY A 23 4.327 11.486 -3.019 1.00 62.15 O ATOM 0 H GLY A 23 0.297 12.034 -4.511 1.00 44.05 H new ATOM 0 HA2 GLY A 23 2.803 10.840 -4.949 1.00 71.00 H new ATOM 0 HA3 GLY A 23 2.426 12.550 -4.999 1.00 71.00 H new ATOM 344 N ILE A 24 2.526 12.488 -2.104 1.00 52.54 N ATOM 345 CA ILE A 24 3.144 12.682 -0.786 1.00 24.31 C ATOM 346 C ILE A 24 3.622 11.343 -0.199 1.00 13.34 C ATOM 347 O ILE A 24 4.769 11.210 0.242 1.00 14.10 O ATOM 348 CB ILE A 24 2.153 13.343 0.209 1.00 25.13 C ATOM 349 CG1 ILE A 24 1.667 14.696 -0.336 1.00 53.23 C ATOM 350 CG2 ILE A 24 2.794 13.513 1.589 1.00 1.34 C ATOM 351 CD1 ILE A 24 0.643 15.378 0.547 1.00 2.02 C ATOM 0 H ILE A 24 1.581 12.865 -2.181 1.00 52.54 H new ATOM 0 HA ILE A 24 4.000 13.341 -0.929 1.00 24.31 H new ATOM 0 HB ILE A 24 1.291 12.685 0.319 1.00 25.13 H new ATOM 0 HG12 ILE A 24 2.525 15.357 -0.459 1.00 53.23 H new ATOM 0 HG13 ILE A 24 1.237 14.545 -1.326 1.00 53.23 H new ATOM 0 HG21 ILE A 24 2.079 13.978 2.267 1.00 1.34 H new ATOM 0 HG22 ILE A 24 3.082 12.537 1.979 1.00 1.34 H new ATOM 0 HG23 ILE A 24 3.678 14.145 1.504 1.00 1.34 H new ATOM 0 HD11 ILE A 24 0.348 16.326 0.097 1.00 2.02 H new ATOM 0 HD12 ILE A 24 -0.233 14.737 0.650 1.00 2.02 H new ATOM 0 HD13 ILE A 24 1.076 15.562 1.530 1.00 2.02 H new ATOM 363 N LEU A 25 2.729 10.355 -0.214 1.00 21.51 N ATOM 364 CA LEU A 25 3.041 9.006 0.266 1.00 73.53 C ATOM 365 C LEU A 25 4.165 8.377 -0.577 1.00 21.12 C ATOM 366 O LEU A 25 5.166 7.900 -0.036 1.00 11.31 O ATOM 367 CB LEU A 25 1.759 8.141 0.238 1.00 63.41 C ATOM 368 CG LEU A 25 1.845 6.736 0.884 1.00 54.45 C ATOM 369 CD1 LEU A 25 2.538 5.730 -0.036 1.00 3.51 C ATOM 370 CD2 LEU A 25 2.550 6.804 2.239 1.00 54.03 C ATOM 0 H LEU A 25 1.774 10.464 -0.556 1.00 21.51 H new ATOM 0 HA LEU A 25 3.400 9.060 1.294 1.00 73.53 H new ATOM 0 HB2 LEU A 25 0.965 8.696 0.738 1.00 63.41 H new ATOM 0 HB3 LEU A 25 1.456 8.018 -0.802 1.00 63.41 H new ATOM 0 HG LEU A 25 0.825 6.387 1.041 1.00 54.45 H new ATOM 0 HD11 LEU A 25 2.578 4.757 0.454 1.00 3.51 H new ATOM 0 HD12 LEU A 25 1.979 5.644 -0.968 1.00 3.51 H new ATOM 0 HD13 LEU A 25 3.551 6.071 -0.250 1.00 3.51 H new ATOM 0 HD21 LEU A 25 2.599 5.806 2.674 1.00 54.03 H new ATOM 0 HD22 LEU A 25 3.560 7.191 2.105 1.00 54.03 H new ATOM 0 HD23 LEU A 25 1.994 7.464 2.906 1.00 54.03 H new ATOM 382 N ALA A 26 3.999 8.398 -1.904 1.00 45.43 N ATOM 383 CA ALA A 26 5.010 7.861 -2.831 1.00 12.12 C ATOM 384 C ALA A 26 6.408 8.427 -2.546 1.00 14.32 C ATOM 385 O ALA A 26 7.407 7.705 -2.563 1.00 21.40 O ATOM 386 CB ALA A 26 4.617 8.174 -4.270 1.00 61.22 C ATOM 0 H ALA A 26 3.173 8.781 -2.364 1.00 45.43 H new ATOM 0 HA ALA A 26 5.048 6.782 -2.683 1.00 12.12 H new ATOM 0 HB1 ALA A 26 5.370 7.773 -4.948 1.00 61.22 H new ATOM 0 HB2 ALA A 26 3.651 7.719 -4.491 1.00 61.22 H new ATOM 0 HB3 ALA A 26 4.548 9.254 -4.402 1.00 61.22 H new ATOM 392 N GLU A 27 6.463 9.726 -2.287 1.00 21.25 N ATOM 393 CA GLU A 27 7.721 10.413 -1.999 1.00 4.44 C ATOM 394 C GLU A 27 8.287 10.005 -0.630 1.00 45.03 C ATOM 395 O GLU A 27 9.492 9.794 -0.481 1.00 23.21 O ATOM 396 CB GLU A 27 7.492 11.930 -2.050 1.00 51.14 C ATOM 397 CG GLU A 27 8.757 12.764 -1.875 1.00 32.20 C ATOM 398 CD GLU A 27 8.475 14.259 -1.909 1.00 64.44 C ATOM 399 OE1 GLU A 27 8.113 14.823 -0.854 1.00 33.02 O ATOM 400 OE2 GLU A 27 8.606 14.877 -2.986 1.00 60.45 O ATOM 0 H GLU A 27 5.644 10.333 -2.270 1.00 21.25 H new ATOM 0 HA GLU A 27 8.453 10.124 -2.753 1.00 4.44 H new ATOM 0 HB2 GLU A 27 7.033 12.184 -3.006 1.00 51.14 H new ATOM 0 HB3 GLU A 27 6.780 12.204 -1.272 1.00 51.14 H new ATOM 0 HG2 GLU A 27 9.230 12.508 -0.927 1.00 32.20 H new ATOM 0 HG3 GLU A 27 9.467 12.513 -2.663 1.00 32.20 H new ATOM 407 N HIS A 28 7.410 9.872 0.362 1.00 13.15 N ATOM 408 CA HIS A 28 7.840 9.591 1.738 1.00 74.13 C ATOM 409 C HIS A 28 8.278 8.125 1.925 1.00 2.35 C ATOM 410 O HIS A 28 9.126 7.831 2.768 1.00 52.51 O ATOM 411 CB HIS A 28 6.726 9.933 2.735 1.00 71.34 C ATOM 412 CG HIS A 28 7.211 10.049 4.149 1.00 1.25 C ATOM 413 ND1 HIS A 28 7.414 8.961 4.973 1.00 65.35 N ATOM 414 CD2 HIS A 28 7.560 11.135 4.881 1.00 3.42 C ATOM 415 CE1 HIS A 28 7.861 9.374 6.142 1.00 23.40 C ATOM 416 NE2 HIS A 28 7.959 10.684 6.112 1.00 54.34 N ATOM 0 H HIS A 28 6.400 9.953 0.244 1.00 13.15 H new ATOM 0 HA HIS A 28 8.706 10.223 1.933 1.00 74.13 H new ATOM 0 HB2 HIS A 28 6.260 10.873 2.440 1.00 71.34 H new ATOM 0 HB3 HIS A 28 5.954 9.165 2.685 1.00 71.34 H new ATOM 0 HD2 HIS A 28 7.529 12.164 4.555 1.00 3.42 H new ATOM 0 HE1 HIS A 28 8.106 8.742 6.983 1.00 23.40 H new ATOM 0 HE2 HIS A 28 8.281 11.271 6.882 1.00 54.34 H new ATOM 425 N VAL A 29 7.690 7.201 1.162 1.00 21.23 N ATOM 426 CA VAL A 29 8.088 5.785 1.239 1.00 3.41 C ATOM 427 C VAL A 29 9.405 5.524 0.491 1.00 31.53 C ATOM 428 O VAL A 29 10.093 4.535 0.747 1.00 14.21 O ATOM 429 CB VAL A 29 6.990 4.837 0.689 1.00 34.50 C ATOM 430 CG1 VAL A 29 5.708 4.967 1.507 1.00 0.44 C ATOM 431 CG2 VAL A 29 6.723 5.098 -0.794 1.00 13.42 C ATOM 0 H VAL A 29 6.947 7.399 0.492 1.00 21.23 H new ATOM 0 HA VAL A 29 8.232 5.571 2.298 1.00 3.41 H new ATOM 0 HB VAL A 29 7.352 3.813 0.783 1.00 34.50 H new ATOM 0 HG11 VAL A 29 4.950 4.294 1.105 1.00 0.44 H new ATOM 0 HG12 VAL A 29 5.911 4.706 2.546 1.00 0.44 H new ATOM 0 HG13 VAL A 29 5.346 5.994 1.455 1.00 0.44 H new ATOM 0 HG21 VAL A 29 5.949 4.418 -1.150 1.00 13.42 H new ATOM 0 HG22 VAL A 29 6.391 6.128 -0.928 1.00 13.42 H new ATOM 0 HG23 VAL A 29 7.638 4.935 -1.363 1.00 13.42 H new ATOM 441 N SER A 30 9.749 6.417 -0.435 1.00 13.51 N ATOM 442 CA SER A 30 11.025 6.334 -1.166 1.00 23.14 C ATOM 443 C SER A 30 12.063 7.288 -0.552 1.00 45.11 C ATOM 444 O SER A 30 13.042 7.673 -1.201 1.00 23.22 O ATOM 445 CB SER A 30 10.812 6.677 -2.647 1.00 21.55 C ATOM 446 OG SER A 30 12.009 6.511 -3.397 1.00 42.32 O ATOM 0 H SER A 30 9.165 7.210 -0.702 1.00 13.51 H new ATOM 0 HA SER A 30 11.399 5.313 -1.088 1.00 23.14 H new ATOM 0 HB2 SER A 30 10.031 6.039 -3.061 1.00 21.55 H new ATOM 0 HB3 SER A 30 10.465 7.706 -2.737 1.00 21.55 H new ATOM 0 HG SER A 30 12.755 6.932 -2.920 1.00 42.32 H new ATOM 452 N GLU A 31 11.839 7.655 0.708 1.00 23.41 N ATOM 453 CA GLU A 31 12.697 8.609 1.421 1.00 12.41 C ATOM 454 C GLU A 31 14.032 7.980 1.863 1.00 31.25 C ATOM 455 O GLU A 31 15.077 8.632 1.820 1.00 12.45 O ATOM 456 CB GLU A 31 11.944 9.159 2.644 1.00 4.24 C ATOM 457 CG GLU A 31 12.719 10.197 3.449 1.00 31.31 C ATOM 458 CD GLU A 31 11.917 10.751 4.618 1.00 71.33 C ATOM 459 OE1 GLU A 31 11.976 10.169 5.722 1.00 52.25 O ATOM 460 OE2 GLU A 31 11.228 11.779 4.435 1.00 3.42 O ATOM 0 H GLU A 31 11.061 7.303 1.265 1.00 23.41 H new ATOM 0 HA GLU A 31 12.937 9.419 0.732 1.00 12.41 H new ATOM 0 HB2 GLU A 31 11.007 9.603 2.308 1.00 4.24 H new ATOM 0 HB3 GLU A 31 11.686 8.328 3.300 1.00 4.24 H new ATOM 0 HG2 GLU A 31 13.638 9.747 3.825 1.00 31.31 H new ATOM 0 HG3 GLU A 31 13.010 11.017 2.792 1.00 31.31 H new ATOM 467 N ASP A 32 13.998 6.715 2.286 1.00 2.23 N ATOM 468 CA ASP A 32 15.196 6.043 2.814 1.00 14.34 C ATOM 469 C ASP A 32 15.703 4.951 1.839 1.00 41.25 C ATOM 470 O ASP A 32 15.300 4.910 0.676 1.00 33.42 O ATOM 471 CB ASP A 32 14.883 5.451 4.202 1.00 72.21 C ATOM 472 CG ASP A 32 16.132 5.254 5.052 1.00 63.44 C ATOM 473 OD1 ASP A 32 16.635 6.246 5.619 1.00 33.15 O ATOM 474 OD2 ASP A 32 16.628 4.112 5.145 1.00 4.40 O ATOM 0 H ASP A 32 13.160 6.134 2.275 1.00 2.23 H new ATOM 0 HA ASP A 32 15.996 6.776 2.915 1.00 14.34 H new ATOM 0 HB2 ASP A 32 14.192 6.111 4.726 1.00 72.21 H new ATOM 0 HB3 ASP A 32 14.378 4.493 4.078 1.00 72.21 H new ATOM 479 N LYS A 33 16.607 4.092 2.320 1.00 63.11 N ATOM 480 CA LYS A 33 17.213 3.012 1.520 1.00 71.14 C ATOM 481 C LYS A 33 16.176 2.149 0.771 1.00 71.34 C ATOM 482 O LYS A 33 16.433 1.696 -0.342 1.00 10.11 O ATOM 483 CB LYS A 33 18.072 2.130 2.436 1.00 24.34 C ATOM 484 CG LYS A 33 19.315 2.835 2.982 1.00 45.55 C ATOM 485 CD LYS A 33 20.049 1.983 4.017 1.00 70.53 C ATOM 486 CE LYS A 33 19.288 1.911 5.335 1.00 51.43 C ATOM 487 NZ LYS A 33 19.105 3.256 5.951 1.00 14.03 N ATOM 0 H LYS A 33 16.944 4.123 3.282 1.00 63.11 H new ATOM 0 HA LYS A 33 17.827 3.483 0.752 1.00 71.14 H new ATOM 0 HB2 LYS A 33 17.462 1.789 3.273 1.00 24.34 H new ATOM 0 HB3 LYS A 33 18.382 1.242 1.884 1.00 24.34 H new ATOM 0 HG2 LYS A 33 19.991 3.067 2.159 1.00 45.55 H new ATOM 0 HG3 LYS A 33 19.025 3.784 3.434 1.00 45.55 H new ATOM 0 HD2 LYS A 33 20.191 0.976 3.624 1.00 70.53 H new ATOM 0 HD3 LYS A 33 21.041 2.399 4.193 1.00 70.53 H new ATOM 0 HE2 LYS A 33 18.313 1.455 5.166 1.00 51.43 H new ATOM 0 HE3 LYS A 33 19.826 1.265 6.029 1.00 51.43 H new ATOM 0 HZ1 LYS A 33 19.019 3.157 6.983 1.00 14.03 H new ATOM 0 HZ2 LYS A 33 19.926 3.855 5.728 1.00 14.03 H new ATOM 0 HZ3 LYS A 33 18.242 3.696 5.573 1.00 14.03 H new ATOM 501 N ALA A 34 15.027 1.905 1.403 1.00 61.05 N ATOM 502 CA ALA A 34 13.909 1.185 0.770 1.00 41.12 C ATOM 503 C ALA A 34 14.230 -0.293 0.466 1.00 40.02 C ATOM 504 O ALA A 34 13.593 -0.909 -0.390 1.00 54.31 O ATOM 505 CB ALA A 34 13.468 1.908 -0.502 1.00 71.44 C ATOM 0 H ALA A 34 14.841 2.197 2.362 1.00 61.05 H new ATOM 0 HA ALA A 34 13.092 1.180 1.492 1.00 41.12 H new ATOM 0 HB1 ALA A 34 12.641 1.366 -0.961 1.00 71.44 H new ATOM 0 HB2 ALA A 34 13.145 2.919 -0.253 1.00 71.44 H new ATOM 0 HB3 ALA A 34 14.303 1.956 -1.201 1.00 71.44 H new ATOM 511 N PHE A 35 15.198 -0.866 1.183 1.00 20.33 N ATOM 512 CA PHE A 35 15.518 -2.294 1.035 1.00 33.12 C ATOM 513 C PHE A 35 14.473 -3.168 1.757 1.00 60.23 C ATOM 514 O PHE A 35 14.068 -2.858 2.882 1.00 23.24 O ATOM 515 CB PHE A 35 16.925 -2.605 1.579 1.00 52.01 C ATOM 516 CG PHE A 35 18.046 -2.049 0.737 1.00 54.14 C ATOM 517 CD1 PHE A 35 18.343 -2.606 -0.500 1.00 42.21 C ATOM 518 CD2 PHE A 35 18.805 -0.976 1.179 1.00 42.03 C ATOM 519 CE1 PHE A 35 19.371 -2.104 -1.275 1.00 21.30 C ATOM 520 CE2 PHE A 35 19.835 -0.470 0.408 1.00 43.00 C ATOM 521 CZ PHE A 35 20.118 -1.033 -0.820 1.00 3.32 C ATOM 0 H PHE A 35 15.771 -0.372 1.867 1.00 20.33 H new ATOM 0 HA PHE A 35 15.497 -2.527 -0.030 1.00 33.12 H new ATOM 0 HB2 PHE A 35 17.010 -2.204 2.589 1.00 52.01 H new ATOM 0 HB3 PHE A 35 17.043 -3.686 1.655 1.00 52.01 H new ATOM 0 HD1 PHE A 35 17.763 -3.442 -0.861 1.00 42.21 H new ATOM 0 HD2 PHE A 35 18.589 -0.530 2.138 1.00 42.03 H new ATOM 0 HE1 PHE A 35 19.591 -2.548 -2.235 1.00 21.30 H new ATOM 0 HE2 PHE A 35 20.418 0.366 0.766 1.00 43.00 H new ATOM 0 HZ PHE A 35 20.921 -0.638 -1.424 1.00 3.32 H new ATOM 531 N PRO A 36 14.030 -4.278 1.124 1.00 64.01 N ATOM 532 CA PRO A 36 12.997 -5.165 1.700 1.00 52.51 C ATOM 533 C PRO A 36 13.487 -5.953 2.932 1.00 3.55 C ATOM 534 O PRO A 36 14.661 -6.330 3.025 1.00 63.23 O ATOM 535 CB PRO A 36 12.670 -6.121 0.541 1.00 22.34 C ATOM 536 CG PRO A 36 13.912 -6.144 -0.288 1.00 31.21 C ATOM 537 CD PRO A 36 14.497 -4.758 -0.196 1.00 1.33 C ATOM 0 HA PRO A 36 12.141 -4.598 2.067 1.00 52.51 H new ATOM 0 HB2 PRO A 36 12.419 -7.117 0.907 1.00 22.34 H new ATOM 0 HB3 PRO A 36 11.815 -5.768 -0.035 1.00 22.34 H new ATOM 0 HG2 PRO A 36 14.615 -6.890 0.083 1.00 31.21 H new ATOM 0 HG3 PRO A 36 13.686 -6.405 -1.322 1.00 31.21 H new ATOM 0 HD2 PRO A 36 15.585 -4.776 -0.255 1.00 1.33 H new ATOM 0 HD3 PRO A 36 14.144 -4.118 -1.005 1.00 1.33 H new ATOM 545 N ARG A 37 12.582 -6.197 3.882 1.00 43.11 N ATOM 546 CA ARG A 37 12.918 -6.942 5.102 1.00 64.34 C ATOM 547 C ARG A 37 12.304 -8.354 5.088 1.00 42.51 C ATOM 548 O ARG A 37 13.021 -9.356 5.083 1.00 22.41 O ATOM 549 CB ARG A 37 12.426 -6.170 6.334 1.00 44.55 C ATOM 550 CG ARG A 37 13.044 -4.782 6.492 1.00 12.43 C ATOM 551 CD ARG A 37 14.532 -4.866 6.804 1.00 15.13 C ATOM 552 NE ARG A 37 14.788 -5.636 8.023 1.00 14.13 N ATOM 553 CZ ARG A 37 15.964 -5.805 8.556 1.00 64.14 C ATOM 554 NH1 ARG A 37 17.019 -5.281 8.018 1.00 41.10 N ATOM 555 NH2 ARG A 37 16.088 -6.500 9.637 1.00 74.35 N ATOM 0 H ARG A 37 11.610 -5.891 3.832 1.00 43.11 H new ATOM 0 HA ARG A 37 14.002 -7.049 5.145 1.00 64.34 H new ATOM 0 HB2 ARG A 37 11.342 -6.068 6.276 1.00 44.55 H new ATOM 0 HB3 ARG A 37 12.644 -6.756 7.227 1.00 44.55 H new ATOM 0 HG2 ARG A 37 12.895 -4.210 5.576 1.00 12.43 H new ATOM 0 HG3 ARG A 37 12.533 -4.244 7.291 1.00 12.43 H new ATOM 0 HD2 ARG A 37 15.054 -5.328 5.966 1.00 15.13 H new ATOM 0 HD3 ARG A 37 14.937 -3.860 6.917 1.00 15.13 H new ATOM 0 HE ARG A 37 13.990 -6.070 8.487 1.00 14.13 H new ATOM 0 HH11 ARG A 37 16.935 -4.727 7.165 1.00 41.10 H new ATOM 0 HH12 ARG A 37 17.934 -5.422 8.447 1.00 41.10 H new ATOM 0 HH21 ARG A 37 15.265 -6.916 10.073 1.00 74.35 H new ATOM 0 HH22 ARG A 37 17.009 -6.633 10.055 1.00 74.35 H new ATOM 569 N LEU A 38 10.974 -8.422 5.091 1.00 71.24 N ATOM 570 CA LEU A 38 10.250 -9.705 5.096 1.00 34.11 C ATOM 571 C LEU A 38 8.818 -9.535 4.535 1.00 63.55 C ATOM 572 O LEU A 38 8.056 -10.496 4.416 1.00 32.34 O ATOM 573 CB LEU A 38 10.231 -10.257 6.542 1.00 61.13 C ATOM 574 CG LEU A 38 9.615 -11.662 6.756 1.00 64.24 C ATOM 575 CD1 LEU A 38 10.389 -12.434 7.826 1.00 53.35 C ATOM 576 CD2 LEU A 38 8.139 -11.568 7.153 1.00 14.14 C ATOM 0 H LEU A 38 10.367 -7.602 5.090 1.00 71.24 H new ATOM 0 HA LEU A 38 10.759 -10.418 4.447 1.00 34.11 H new ATOM 0 HB2 LEU A 38 11.257 -10.279 6.909 1.00 61.13 H new ATOM 0 HB3 LEU A 38 9.684 -9.550 7.166 1.00 61.13 H new ATOM 0 HG LEU A 38 9.684 -12.197 5.809 1.00 64.24 H new ATOM 0 HD11 LEU A 38 9.940 -13.418 7.961 1.00 53.35 H new ATOM 0 HD12 LEU A 38 11.427 -12.548 7.513 1.00 53.35 H new ATOM 0 HD13 LEU A 38 10.352 -11.886 8.768 1.00 53.35 H new ATOM 0 HD21 LEU A 38 7.736 -12.571 7.296 1.00 14.14 H new ATOM 0 HD22 LEU A 38 8.047 -11.004 8.081 1.00 14.14 H new ATOM 0 HD23 LEU A 38 7.582 -11.062 6.365 1.00 14.14 H new ATOM 588 N GLU A 39 8.489 -8.311 4.136 1.00 61.24 N ATOM 589 CA GLU A 39 7.118 -7.939 3.766 1.00 4.34 C ATOM 590 C GLU A 39 6.711 -8.503 2.393 1.00 1.44 C ATOM 591 O GLU A 39 6.824 -7.826 1.368 1.00 33.11 O ATOM 592 CB GLU A 39 6.970 -6.404 3.771 1.00 31.03 C ATOM 593 CG GLU A 39 7.302 -5.731 5.109 1.00 44.31 C ATOM 594 CD GLU A 39 8.760 -5.890 5.532 1.00 35.20 C ATOM 595 OE1 GLU A 39 9.659 -5.732 4.675 1.00 3.04 O ATOM 596 OE2 GLU A 39 9.016 -6.208 6.716 1.00 64.02 O ATOM 0 H GLU A 39 9.160 -7.547 4.058 1.00 61.24 H new ATOM 0 HA GLU A 39 6.450 -8.376 4.508 1.00 4.34 H new ATOM 0 HB2 GLU A 39 7.618 -5.988 3.000 1.00 31.03 H new ATOM 0 HB3 GLU A 39 5.946 -6.151 3.497 1.00 31.03 H new ATOM 0 HG2 GLU A 39 7.067 -4.669 5.039 1.00 44.31 H new ATOM 0 HG3 GLU A 39 6.660 -6.149 5.885 1.00 44.31 H new ATOM 603 N GLU A 40 6.256 -9.753 2.376 1.00 63.10 N ATOM 604 CA GLU A 40 5.769 -10.386 1.144 1.00 73.41 C ATOM 605 C GLU A 40 4.275 -10.082 0.954 1.00 22.15 C ATOM 606 O GLU A 40 3.856 -9.566 -0.086 1.00 72.24 O ATOM 607 CB GLU A 40 6.029 -11.906 1.201 1.00 1.44 C ATOM 608 CG GLU A 40 5.857 -12.647 -0.134 1.00 73.21 C ATOM 609 CD GLU A 40 4.418 -13.049 -0.444 1.00 62.32 C ATOM 610 OE1 GLU A 40 3.911 -13.985 0.211 1.00 3.21 O ATOM 611 OE2 GLU A 40 3.801 -12.446 -1.351 1.00 2.22 O ATOM 0 H GLU A 40 6.213 -10.352 3.200 1.00 63.10 H new ATOM 0 HA GLU A 40 6.307 -9.981 0.287 1.00 73.41 H new ATOM 0 HB2 GLU A 40 7.044 -12.072 1.563 1.00 1.44 H new ATOM 0 HB3 GLU A 40 5.353 -12.347 1.933 1.00 1.44 H new ATOM 0 HG2 GLU A 40 6.227 -12.013 -0.939 1.00 73.21 H new ATOM 0 HG3 GLU A 40 6.478 -13.542 -0.123 1.00 73.21 H new ATOM 618 N ARG A 41 3.480 -10.380 1.978 1.00 53.50 N ATOM 619 CA ARG A 41 2.044 -10.089 1.960 1.00 50.12 C ATOM 620 C ARG A 41 1.779 -8.585 2.148 1.00 22.24 C ATOM 621 O ARG A 41 2.539 -7.887 2.816 1.00 61.34 O ATOM 622 CB ARG A 41 1.323 -10.894 3.045 1.00 60.34 C ATOM 623 CG ARG A 41 1.410 -12.406 2.849 1.00 53.21 C ATOM 624 CD ARG A 41 0.810 -12.839 1.513 1.00 32.03 C ATOM 625 NE ARG A 41 0.823 -14.291 1.343 1.00 51.23 N ATOM 626 CZ ARG A 41 0.524 -14.906 0.231 1.00 33.31 C ATOM 627 NH1 ARG A 41 0.172 -14.243 -0.823 1.00 2.24 N ATOM 628 NH2 ARG A 41 0.568 -16.197 0.176 1.00 73.04 N ATOM 0 H ARG A 41 3.805 -10.825 2.836 1.00 53.50 H new ATOM 0 HA ARG A 41 1.654 -10.382 0.985 1.00 50.12 H new ATOM 0 HB2 ARG A 41 1.746 -10.638 4.016 1.00 60.34 H new ATOM 0 HB3 ARG A 41 0.274 -10.599 3.067 1.00 60.34 H new ATOM 0 HG2 ARG A 41 2.453 -12.720 2.898 1.00 53.21 H new ATOM 0 HG3 ARG A 41 0.887 -12.909 3.663 1.00 53.21 H new ATOM 0 HD2 ARG A 41 -0.216 -12.477 1.443 1.00 32.03 H new ATOM 0 HD3 ARG A 41 1.368 -12.375 0.699 1.00 32.03 H new ATOM 0 HE ARG A 41 1.083 -14.862 2.147 1.00 51.23 H new ATOM 0 HH11 ARG A 41 0.125 -13.225 -0.793 1.00 2.24 H new ATOM 0 HH12 ARG A 41 -0.058 -14.739 -1.684 1.00 2.24 H new ATOM 0 HH21 ARG A 41 0.836 -16.734 1.001 1.00 73.04 H new ATOM 0 HH22 ARG A 41 0.335 -16.679 -0.692 1.00 73.04 H new ATOM 642 N HIS A 42 0.681 -8.099 1.573 1.00 61.31 N ATOM 643 CA HIS A 42 0.408 -6.655 1.514 1.00 33.20 C ATOM 644 C HIS A 42 -0.515 -6.152 2.642 1.00 14.43 C ATOM 645 O HIS A 42 -0.540 -4.957 2.929 1.00 21.22 O ATOM 646 CB HIS A 42 -0.201 -6.310 0.152 1.00 43.51 C ATOM 647 CG HIS A 42 0.742 -6.551 -0.985 1.00 62.11 C ATOM 648 ND1 HIS A 42 0.960 -7.799 -1.530 1.00 54.42 N ATOM 649 CD2 HIS A 42 1.538 -5.698 -1.675 1.00 3.02 C ATOM 650 CE1 HIS A 42 1.850 -7.703 -2.497 1.00 41.02 C ATOM 651 NE2 HIS A 42 2.212 -6.444 -2.604 1.00 11.44 N ATOM 0 H HIS A 42 -0.037 -8.680 1.140 1.00 61.31 H new ATOM 0 HA HIS A 42 1.363 -6.148 1.653 1.00 33.20 H new ATOM 0 HB2 HIS A 42 -1.103 -6.904 0.002 1.00 43.51 H new ATOM 0 HB3 HIS A 42 -0.505 -5.263 0.150 1.00 43.51 H new ATOM 0 HD1 HIS A 42 0.504 -8.661 -1.231 1.00 54.42 H new ATOM 0 HD2 HIS A 42 1.624 -4.632 -1.521 1.00 3.02 H new ATOM 0 HE1 HIS A 42 2.219 -8.520 -3.099 1.00 41.02 H new ATOM 660 N GLN A 43 -1.262 -7.048 3.287 1.00 22.02 N ATOM 661 CA GLN A 43 -2.225 -6.636 4.328 1.00 25.23 C ATOM 662 C GLN A 43 -1.488 -6.062 5.558 1.00 71.04 C ATOM 663 O GLN A 43 -1.891 -5.044 6.120 1.00 1.23 O ATOM 664 CB GLN A 43 -3.115 -7.829 4.738 1.00 30.32 C ATOM 665 CG GLN A 43 -4.544 -7.460 5.153 1.00 14.14 C ATOM 666 CD GLN A 43 -4.615 -6.481 6.317 1.00 60.32 C ATOM 667 OE1 GLN A 43 -4.685 -5.271 6.129 1.00 12.43 O ATOM 668 NE2 GLN A 43 -4.586 -6.995 7.530 1.00 22.40 N ATOM 0 H GLN A 43 -1.226 -8.053 3.116 1.00 22.02 H new ATOM 0 HA GLN A 43 -2.862 -5.853 3.917 1.00 25.23 H new ATOM 0 HB2 GLN A 43 -3.164 -8.529 3.904 1.00 30.32 H new ATOM 0 HB3 GLN A 43 -2.636 -8.352 5.566 1.00 30.32 H new ATOM 0 HG2 GLN A 43 -5.061 -7.028 4.296 1.00 14.14 H new ATOM 0 HG3 GLN A 43 -5.080 -8.370 5.423 1.00 14.14 H new ATOM 0 HE21 GLN A 43 -4.528 -8.006 7.654 1.00 22.40 H new ATOM 0 HE22 GLN A 43 -4.622 -6.382 8.345 1.00 22.40 H new ATOM 677 N VAL A 44 -0.394 -6.713 5.956 1.00 62.20 N ATOM 678 CA VAL A 44 0.407 -6.269 7.111 1.00 10.45 C ATOM 679 C VAL A 44 0.890 -4.813 6.970 1.00 13.30 C ATOM 680 O VAL A 44 1.149 -4.136 7.967 1.00 63.44 O ATOM 681 CB VAL A 44 1.634 -7.188 7.340 1.00 44.42 C ATOM 682 CG1 VAL A 44 1.187 -8.594 7.733 1.00 4.01 C ATOM 683 CG2 VAL A 44 2.525 -7.230 6.097 1.00 60.22 C ATOM 0 H VAL A 44 -0.037 -7.552 5.498 1.00 62.20 H new ATOM 0 HA VAL A 44 -0.258 -6.329 7.972 1.00 10.45 H new ATOM 0 HB VAL A 44 2.220 -6.773 8.160 1.00 44.42 H new ATOM 0 HG11 VAL A 44 2.063 -9.224 7.889 1.00 4.01 H new ATOM 0 HG12 VAL A 44 0.605 -8.547 8.653 1.00 4.01 H new ATOM 0 HG13 VAL A 44 0.574 -9.017 6.937 1.00 4.01 H new ATOM 0 HG21 VAL A 44 3.379 -7.881 6.283 1.00 60.22 H new ATOM 0 HG22 VAL A 44 1.953 -7.614 5.252 1.00 60.22 H new ATOM 0 HG23 VAL A 44 2.879 -6.225 5.869 1.00 60.22 H new ATOM 693 N ILE A 45 0.994 -4.332 5.731 1.00 51.30 N ATOM 694 CA ILE A 45 1.430 -2.954 5.470 1.00 33.32 C ATOM 695 C ILE A 45 0.420 -1.937 6.038 1.00 25.50 C ATOM 696 O ILE A 45 0.788 -0.828 6.440 1.00 21.11 O ATOM 697 CB ILE A 45 1.621 -2.709 3.950 1.00 44.15 C ATOM 698 CG1 ILE A 45 2.553 -3.777 3.344 1.00 12.43 C ATOM 699 CG2 ILE A 45 2.170 -1.306 3.685 1.00 14.23 C ATOM 700 CD1 ILE A 45 3.946 -3.800 3.947 1.00 51.21 C ATOM 0 H ILE A 45 0.784 -4.872 4.892 1.00 51.30 H new ATOM 0 HA ILE A 45 2.388 -2.815 5.971 1.00 33.32 H new ATOM 0 HB ILE A 45 0.645 -2.786 3.470 1.00 44.15 H new ATOM 0 HG12 ILE A 45 2.096 -4.758 3.474 1.00 12.43 H new ATOM 0 HG13 ILE A 45 2.636 -3.604 2.271 1.00 12.43 H new ATOM 0 HG21 ILE A 45 2.294 -1.161 2.612 1.00 14.23 H new ATOM 0 HG22 ILE A 45 1.473 -0.563 4.073 1.00 14.23 H new ATOM 0 HG23 ILE A 45 3.134 -1.193 4.181 1.00 14.23 H new ATOM 0 HD11 ILE A 45 4.538 -4.579 3.466 1.00 51.21 H new ATOM 0 HD12 ILE A 45 4.425 -2.833 3.793 1.00 51.21 H new ATOM 0 HD13 ILE A 45 3.877 -4.005 5.015 1.00 51.21 H new ATOM 712 N ARG A 46 -0.855 -2.335 6.085 1.00 63.22 N ATOM 713 CA ARG A 46 -1.922 -1.497 6.646 1.00 70.12 C ATOM 714 C ARG A 46 -1.646 -1.149 8.121 1.00 72.31 C ATOM 715 O ARG A 46 -1.757 0.009 8.529 1.00 32.50 O ATOM 716 CB ARG A 46 -3.280 -2.209 6.496 1.00 72.42 C ATOM 717 CG ARG A 46 -4.419 -1.564 7.283 1.00 64.21 C ATOM 718 CD ARG A 46 -5.773 -2.182 6.941 1.00 31.23 C ATOM 719 NE ARG A 46 -6.263 -1.748 5.628 1.00 44.32 N ATOM 720 CZ ARG A 46 -6.612 -2.560 4.661 1.00 3.31 C ATOM 721 NH1 ARG A 46 -6.453 -3.838 4.778 1.00 51.11 N ATOM 722 NH2 ARG A 46 -7.100 -2.082 3.562 1.00 40.04 N ATOM 0 H ARG A 46 -1.176 -3.239 5.739 1.00 63.22 H new ATOM 0 HA ARG A 46 -1.950 -0.560 6.091 1.00 70.12 H new ATOM 0 HB2 ARG A 46 -3.551 -2.231 5.440 1.00 72.42 H new ATOM 0 HB3 ARG A 46 -3.172 -3.244 6.819 1.00 72.42 H new ATOM 0 HG2 ARG A 46 -4.230 -1.674 8.351 1.00 64.21 H new ATOM 0 HG3 ARG A 46 -4.445 -0.495 7.073 1.00 64.21 H new ATOM 0 HD2 ARG A 46 -5.689 -3.269 6.955 1.00 31.23 H new ATOM 0 HD3 ARG A 46 -6.499 -1.909 7.707 1.00 31.23 H new ATOM 0 HE ARG A 46 -6.337 -0.745 5.456 1.00 44.32 H new ATOM 0 HH11 ARG A 46 -6.051 -4.226 5.632 1.00 51.11 H new ATOM 0 HH12 ARG A 46 -6.729 -4.458 4.017 1.00 51.11 H new ATOM 0 HH21 ARG A 46 -7.212 -1.074 3.450 1.00 40.04 H new ATOM 0 HH22 ARG A 46 -7.372 -2.713 2.808 1.00 40.04 H new ATOM 736 N ALA A 47 -1.269 -2.155 8.907 1.00 51.14 N ATOM 737 CA ALA A 47 -0.948 -1.950 10.325 1.00 3.22 C ATOM 738 C ALA A 47 0.388 -1.209 10.500 1.00 32.55 C ATOM 739 O ALA A 47 0.536 -0.374 11.394 1.00 13.14 O ATOM 740 CB ALA A 47 -0.912 -3.288 11.060 1.00 12.21 C ATOM 0 H ALA A 47 -1.177 -3.120 8.590 1.00 51.14 H new ATOM 0 HA ALA A 47 -1.732 -1.328 10.757 1.00 3.22 H new ATOM 0 HB1 ALA A 47 -0.673 -3.120 12.110 1.00 12.21 H new ATOM 0 HB2 ALA A 47 -1.886 -3.772 10.983 1.00 12.21 H new ATOM 0 HB3 ALA A 47 -0.152 -3.928 10.613 1.00 12.21 H new ATOM 746 N TYR A 48 1.349 -1.512 9.624 1.00 30.03 N ATOM 747 CA TYR A 48 2.692 -0.917 9.684 1.00 11.41 C ATOM 748 C TYR A 48 2.643 0.623 9.776 1.00 13.10 C ATOM 749 O TYR A 48 3.253 1.228 10.662 1.00 20.21 O ATOM 750 CB TYR A 48 3.501 -1.349 8.448 1.00 5.02 C ATOM 751 CG TYR A 48 4.937 -0.855 8.436 1.00 42.43 C ATOM 752 CD1 TYR A 48 5.909 -1.469 9.216 1.00 62.05 C ATOM 753 CD2 TYR A 48 5.320 0.224 7.642 1.00 31.40 C ATOM 754 CE1 TYR A 48 7.217 -1.024 9.210 1.00 21.13 C ATOM 755 CE2 TYR A 48 6.627 0.673 7.630 1.00 52.55 C ATOM 756 CZ TYR A 48 7.572 0.045 8.415 1.00 40.41 C ATOM 757 OH TYR A 48 8.874 0.489 8.412 1.00 53.52 O ATOM 0 H TYR A 48 1.223 -2.172 8.857 1.00 30.03 H new ATOM 0 HA TYR A 48 3.177 -1.278 10.591 1.00 11.41 H new ATOM 0 HB2 TYR A 48 3.503 -2.438 8.392 1.00 5.02 H new ATOM 0 HB3 TYR A 48 2.997 -0.985 7.553 1.00 5.02 H new ATOM 0 HD1 TYR A 48 5.637 -2.309 9.838 1.00 62.05 H new ATOM 0 HD2 TYR A 48 4.583 0.718 7.026 1.00 31.40 H new ATOM 0 HE1 TYR A 48 7.958 -1.512 9.826 1.00 21.13 H new ATOM 0 HE2 TYR A 48 6.907 1.511 7.009 1.00 52.55 H new ATOM 0 HH TYR A 48 8.959 1.248 7.798 1.00 53.52 H new ATOM 767 N VAL A 49 1.908 1.253 8.864 1.00 73.24 N ATOM 768 CA VAL A 49 1.817 2.718 8.827 1.00 3.25 C ATOM 769 C VAL A 49 0.957 3.289 9.968 1.00 53.33 C ATOM 770 O VAL A 49 1.151 4.430 10.376 1.00 23.20 O ATOM 771 CB VAL A 49 1.274 3.219 7.470 1.00 64.42 C ATOM 772 CG1 VAL A 49 2.250 2.874 6.348 1.00 1.14 C ATOM 773 CG2 VAL A 49 -0.113 2.641 7.186 1.00 63.00 C ATOM 0 H VAL A 49 1.367 0.778 8.141 1.00 73.24 H new ATOM 0 HA VAL A 49 2.836 3.081 8.961 1.00 3.25 H new ATOM 0 HB VAL A 49 1.176 4.303 7.520 1.00 64.42 H new ATOM 0 HG11 VAL A 49 1.854 3.233 5.398 1.00 1.14 H new ATOM 0 HG12 VAL A 49 3.211 3.349 6.543 1.00 1.14 H new ATOM 0 HG13 VAL A 49 2.382 1.793 6.300 1.00 1.14 H new ATOM 0 HG21 VAL A 49 -0.471 3.010 6.225 1.00 63.00 H new ATOM 0 HG22 VAL A 49 -0.055 1.553 7.158 1.00 63.00 H new ATOM 0 HG23 VAL A 49 -0.803 2.948 7.972 1.00 63.00 H new ATOM 783 N MET A 50 0.021 2.495 10.488 1.00 74.10 N ATOM 784 CA MET A 50 -0.820 2.937 11.613 1.00 3.14 C ATOM 785 C MET A 50 0.013 3.182 12.884 1.00 2.22 C ATOM 786 O MET A 50 -0.412 3.896 13.794 1.00 10.33 O ATOM 787 CB MET A 50 -1.915 1.901 11.906 1.00 20.30 C ATOM 788 CG MET A 50 -2.958 1.767 10.802 1.00 53.41 C ATOM 789 SD MET A 50 -4.219 0.536 11.190 1.00 72.10 S ATOM 790 CE MET A 50 -4.875 1.196 12.725 1.00 2.13 C ATOM 0 H MET A 50 -0.177 1.551 10.156 1.00 74.10 H new ATOM 0 HA MET A 50 -1.282 3.880 11.321 1.00 3.14 H new ATOM 0 HB2 MET A 50 -1.447 0.930 12.069 1.00 20.30 H new ATOM 0 HB3 MET A 50 -2.417 2.172 12.835 1.00 20.30 H new ATOM 0 HG2 MET A 50 -3.436 2.733 10.639 1.00 53.41 H new ATOM 0 HG3 MET A 50 -2.463 1.494 9.870 1.00 53.41 H new ATOM 0 HE1 MET A 50 -5.879 0.804 12.890 1.00 2.13 H new ATOM 0 HE2 MET A 50 -4.230 0.902 13.553 1.00 2.13 H new ATOM 0 HE3 MET A 50 -4.915 2.284 12.666 1.00 2.13 H new ATOM 800 N SER A 51 1.192 2.568 12.944 1.00 55.34 N ATOM 801 CA SER A 51 2.101 2.728 14.090 1.00 30.03 C ATOM 802 C SER A 51 3.168 3.808 13.839 1.00 75.12 C ATOM 803 O SER A 51 3.636 4.461 14.772 1.00 13.52 O ATOM 804 CB SER A 51 2.791 1.391 14.402 1.00 22.41 C ATOM 805 OG SER A 51 3.733 1.528 15.454 1.00 10.33 O ATOM 0 H SER A 51 1.547 1.952 12.213 1.00 55.34 H new ATOM 0 HA SER A 51 1.497 3.047 14.940 1.00 30.03 H new ATOM 0 HB2 SER A 51 2.042 0.649 14.677 1.00 22.41 H new ATOM 0 HB3 SER A 51 3.293 1.021 13.508 1.00 22.41 H new ATOM 0 HG SER A 51 4.154 0.661 15.631 1.00 10.33 H new ATOM 811 N ASN A 52 3.552 3.995 12.576 1.00 52.33 N ATOM 812 CA ASN A 52 4.640 4.925 12.228 1.00 72.14 C ATOM 813 C ASN A 52 4.128 6.309 11.787 1.00 23.24 C ATOM 814 O ASN A 52 4.657 7.335 12.214 1.00 52.44 O ATOM 815 CB ASN A 52 5.513 4.317 11.121 1.00 12.24 C ATOM 816 CG ASN A 52 6.273 3.088 11.589 1.00 73.22 C ATOM 817 OD1 ASN A 52 6.628 2.967 12.755 1.00 2.54 O ATOM 818 ND2 ASN A 52 6.529 2.164 10.685 1.00 42.22 N ATOM 0 H ASN A 52 3.132 3.520 11.777 1.00 52.33 H new ATOM 0 HA ASN A 52 5.229 5.076 13.132 1.00 72.14 H new ATOM 0 HB2 ASN A 52 4.884 4.050 10.272 1.00 12.24 H new ATOM 0 HB3 ASN A 52 6.222 5.066 10.769 1.00 12.24 H new ATOM 0 HD21 ASN A 52 7.036 1.319 10.949 1.00 42.22 H new ATOM 0 HD22 ASN A 52 6.220 2.294 9.722 1.00 42.22 H new ATOM 825 N TYR A 53 3.109 6.341 10.932 1.00 61.34 N ATOM 826 CA TYR A 53 2.646 7.601 10.332 1.00 10.12 C ATOM 827 C TYR A 53 1.476 8.237 11.103 1.00 73.11 C ATOM 828 O TYR A 53 0.611 7.544 11.644 1.00 51.00 O ATOM 829 CB TYR A 53 2.247 7.372 8.867 1.00 13.42 C ATOM 830 CG TYR A 53 3.421 7.052 7.950 1.00 63.11 C ATOM 831 CD1 TYR A 53 4.724 7.393 8.307 1.00 34.23 C ATOM 832 CD2 TYR A 53 3.224 6.425 6.721 1.00 62.54 C ATOM 833 CE1 TYR A 53 5.788 7.127 7.470 1.00 33.11 C ATOM 834 CE2 TYR A 53 4.288 6.151 5.880 1.00 64.22 C ATOM 835 CZ TYR A 53 5.567 6.503 6.260 1.00 4.33 C ATOM 836 OH TYR A 53 6.630 6.247 5.421 1.00 34.24 O ATOM 0 H TYR A 53 2.587 5.516 10.637 1.00 61.34 H new ATOM 0 HA TYR A 53 3.479 8.301 10.385 1.00 10.12 H new ATOM 0 HB2 TYR A 53 1.528 6.554 8.820 1.00 13.42 H new ATOM 0 HB3 TYR A 53 1.740 8.263 8.495 1.00 13.42 H new ATOM 0 HD1 TYR A 53 4.904 7.875 9.257 1.00 34.23 H new ATOM 0 HD2 TYR A 53 2.224 6.148 6.420 1.00 62.54 H new ATOM 0 HE1 TYR A 53 6.790 7.406 7.761 1.00 33.11 H new ATOM 0 HE2 TYR A 53 4.118 5.664 4.931 1.00 64.22 H new ATOM 0 HH TYR A 53 7.063 7.091 5.175 1.00 34.24 H new ATOM 846 N THR A 54 1.476 9.569 11.151 1.00 3.15 N ATOM 847 CA THR A 54 0.401 10.345 11.790 1.00 53.24 C ATOM 848 C THR A 54 -0.452 11.080 10.749 1.00 20.11 C ATOM 849 O THR A 54 -1.665 11.227 10.911 1.00 14.22 O ATOM 850 CB THR A 54 0.973 11.393 12.776 1.00 1.31 C ATOM 851 OG1 THR A 54 1.881 12.263 12.087 1.00 12.04 O ATOM 852 CG2 THR A 54 1.692 10.726 13.945 1.00 3.53 C ATOM 0 H THR A 54 2.217 10.144 10.750 1.00 3.15 H new ATOM 0 HA THR A 54 -0.217 9.629 12.332 1.00 53.24 H new ATOM 0 HB THR A 54 0.138 11.969 13.175 1.00 1.31 H new ATOM 0 HG1 THR A 54 2.239 12.925 12.714 1.00 12.04 H new ATOM 0 HG21 THR A 54 2.081 11.491 14.617 1.00 3.53 H new ATOM 0 HG22 THR A 54 0.993 10.089 14.486 1.00 3.53 H new ATOM 0 HG23 THR A 54 2.517 10.121 13.568 1.00 3.53 H new ATOM 860 N ASP A 55 0.194 11.558 9.688 1.00 30.42 N ATOM 861 CA ASP A 55 -0.488 12.284 8.612 1.00 44.34 C ATOM 862 C ASP A 55 -1.483 11.389 7.849 1.00 10.31 C ATOM 863 O ASP A 55 -1.121 10.324 7.348 1.00 43.12 O ATOM 864 CB ASP A 55 0.549 12.851 7.643 1.00 20.25 C ATOM 865 CG ASP A 55 1.550 13.746 8.344 1.00 4.04 C ATOM 866 OD1 ASP A 55 2.565 13.229 8.857 1.00 71.32 O ATOM 867 OD2 ASP A 55 1.320 14.969 8.401 1.00 73.14 O ATOM 0 H ASP A 55 1.199 11.456 9.547 1.00 30.42 H new ATOM 0 HA ASP A 55 -1.059 13.094 9.066 1.00 44.34 H new ATOM 0 HB2 ASP A 55 1.075 12.031 7.155 1.00 20.25 H new ATOM 0 HB3 ASP A 55 0.043 13.416 6.860 1.00 20.25 H new ATOM 872 N HIS A 56 -2.730 11.851 7.734 1.00 52.00 N ATOM 873 CA HIS A 56 -3.798 11.070 7.091 1.00 3.45 C ATOM 874 C HIS A 56 -3.429 10.654 5.654 1.00 72.25 C ATOM 875 O HIS A 56 -3.714 9.532 5.231 1.00 24.22 O ATOM 876 CB HIS A 56 -5.103 11.874 7.079 1.00 74.41 C ATOM 877 CG HIS A 56 -5.546 12.307 8.444 1.00 30.24 C ATOM 878 ND1 HIS A 56 -5.560 13.626 8.844 1.00 3.14 N ATOM 879 CD2 HIS A 56 -5.992 11.591 9.505 1.00 1.11 C ATOM 880 CE1 HIS A 56 -5.990 13.704 10.088 1.00 61.23 C ATOM 881 NE2 HIS A 56 -6.259 12.486 10.509 1.00 64.22 N ATOM 0 H HIS A 56 -3.029 12.764 8.077 1.00 52.00 H new ATOM 0 HA HIS A 56 -3.930 10.159 7.675 1.00 3.45 H new ATOM 0 HB2 HIS A 56 -4.973 12.755 6.451 1.00 74.41 H new ATOM 0 HB3 HIS A 56 -5.889 11.271 6.624 1.00 74.41 H new ATOM 0 HD2 HIS A 56 -6.114 10.519 9.551 1.00 1.11 H new ATOM 0 HE1 HIS A 56 -6.102 14.611 10.663 1.00 61.23 H new ATOM 0 HE2 HIS A 56 -6.611 12.246 11.436 1.00 64.22 H new ATOM 890 N GLN A 57 -2.785 11.558 4.914 1.00 1.11 N ATOM 891 CA GLN A 57 -2.370 11.274 3.531 1.00 23.30 C ATOM 892 C GLN A 57 -1.331 10.142 3.479 1.00 33.23 C ATOM 893 O GLN A 57 -1.235 9.417 2.489 1.00 50.30 O ATOM 894 CB GLN A 57 -1.808 12.536 2.855 1.00 63.53 C ATOM 895 CG GLN A 57 -2.829 13.665 2.678 1.00 23.25 C ATOM 896 CD GLN A 57 -3.252 14.316 3.987 1.00 33.45 C ATOM 897 OE1 GLN A 57 -4.387 14.754 4.140 1.00 31.14 O ATOM 898 NE2 GLN A 57 -2.335 14.416 4.934 1.00 60.31 N ATOM 0 H GLN A 57 -2.538 12.491 5.244 1.00 1.11 H new ATOM 0 HA GLN A 57 -3.257 10.950 2.986 1.00 23.30 H new ATOM 0 HB2 GLN A 57 -0.971 12.908 3.446 1.00 63.53 H new ATOM 0 HB3 GLN A 57 -1.412 12.264 1.877 1.00 63.53 H new ATOM 0 HG2 GLN A 57 -2.406 14.427 2.023 1.00 23.25 H new ATOM 0 HG3 GLN A 57 -3.712 13.269 2.177 1.00 23.25 H new ATOM 0 HE21 GLN A 57 -1.399 14.042 4.779 1.00 60.31 H new ATOM 0 HE22 GLN A 57 -2.564 14.867 5.820 1.00 60.31 H new ATOM 907 N LEU A 58 -0.557 9.996 4.553 1.00 11.34 N ATOM 908 CA LEU A 58 0.424 8.910 4.659 1.00 51.42 C ATOM 909 C LEU A 58 -0.229 7.620 5.186 1.00 44.14 C ATOM 910 O LEU A 58 0.210 6.513 4.869 1.00 65.11 O ATOM 911 CB LEU A 58 1.578 9.331 5.580 1.00 34.22 C ATOM 912 CG LEU A 58 2.380 10.558 5.116 1.00 2.33 C ATOM 913 CD1 LEU A 58 3.491 10.884 6.112 1.00 53.43 C ATOM 914 CD2 LEU A 58 2.958 10.332 3.721 1.00 4.35 C ATOM 0 H LEU A 58 -0.588 10.614 5.364 1.00 11.34 H new ATOM 0 HA LEU A 58 0.815 8.708 3.662 1.00 51.42 H new ATOM 0 HB2 LEU A 58 1.173 9.537 6.571 1.00 34.22 H new ATOM 0 HB3 LEU A 58 2.263 8.489 5.684 1.00 34.22 H new ATOM 0 HG LEU A 58 1.701 11.409 5.069 1.00 2.33 H new ATOM 0 HD11 LEU A 58 4.047 11.755 5.765 1.00 53.43 H new ATOM 0 HD12 LEU A 58 3.054 11.097 7.088 1.00 53.43 H new ATOM 0 HD13 LEU A 58 4.166 10.033 6.195 1.00 53.43 H new ATOM 0 HD21 LEU A 58 3.521 11.213 3.413 1.00 4.35 H new ATOM 0 HD22 LEU A 58 3.619 9.466 3.737 1.00 4.35 H new ATOM 0 HD23 LEU A 58 2.146 10.156 3.015 1.00 4.35 H new ATOM 926 N ILE A 59 -1.281 7.773 5.990 1.00 25.01 N ATOM 927 CA ILE A 59 -2.001 6.629 6.559 1.00 65.34 C ATOM 928 C ILE A 59 -2.916 5.952 5.520 1.00 64.03 C ATOM 929 O ILE A 59 -2.696 4.793 5.146 1.00 65.34 O ATOM 930 CB ILE A 59 -2.855 7.057 7.782 1.00 12.33 C ATOM 931 CG1 ILE A 59 -1.963 7.674 8.875 1.00 53.42 C ATOM 932 CG2 ILE A 59 -3.647 5.870 8.336 1.00 21.52 C ATOM 933 CD1 ILE A 59 -2.733 8.199 10.072 1.00 4.50 C ATOM 0 H ILE A 59 -1.656 8.681 6.264 1.00 25.01 H new ATOM 0 HA ILE A 59 -1.243 5.913 6.877 1.00 65.34 H new ATOM 0 HB ILE A 59 -3.567 7.814 7.452 1.00 12.33 H new ATOM 0 HG12 ILE A 59 -1.250 6.923 9.215 1.00 53.42 H new ATOM 0 HG13 ILE A 59 -1.385 8.490 8.441 1.00 53.42 H new ATOM 0 HG21 ILE A 59 -4.238 6.195 9.193 1.00 21.52 H new ATOM 0 HG22 ILE A 59 -4.311 5.483 7.563 1.00 21.52 H new ATOM 0 HG23 ILE A 59 -2.957 5.086 8.648 1.00 21.52 H new ATOM 0 HD11 ILE A 59 -2.036 8.618 10.798 1.00 4.50 H new ATOM 0 HD12 ILE A 59 -3.427 8.974 9.747 1.00 4.50 H new ATOM 0 HD13 ILE A 59 -3.290 7.383 10.533 1.00 4.50 H new ATOM 945 N GLU A 60 -3.939 6.678 5.052 1.00 43.24 N ATOM 946 CA GLU A 60 -4.951 6.096 4.159 1.00 5.21 C ATOM 947 C GLU A 60 -4.348 5.586 2.844 1.00 23.11 C ATOM 948 O GLU A 60 -4.505 4.413 2.509 1.00 20.20 O ATOM 949 CB GLU A 60 -6.078 7.095 3.858 1.00 2.51 C ATOM 950 CG GLU A 60 -7.179 6.500 2.981 1.00 1.23 C ATOM 951 CD GLU A 60 -8.371 7.425 2.790 1.00 21.30 C ATOM 952 OE1 GLU A 60 -9.182 7.554 3.733 1.00 4.24 O ATOM 953 OE2 GLU A 60 -8.520 8.000 1.691 1.00 22.14 O ATOM 0 H GLU A 60 -4.088 7.662 5.274 1.00 43.24 H new ATOM 0 HA GLU A 60 -5.367 5.241 4.692 1.00 5.21 H new ATOM 0 HB2 GLU A 60 -6.513 7.438 4.797 1.00 2.51 H new ATOM 0 HB3 GLU A 60 -5.658 7.970 3.362 1.00 2.51 H new ATOM 0 HG2 GLU A 60 -6.761 6.253 2.005 1.00 1.23 H new ATOM 0 HG3 GLU A 60 -7.522 5.566 3.426 1.00 1.23 H new ATOM 960 N THR A 61 -3.655 6.465 2.112 1.00 1.33 N ATOM 961 CA THR A 61 -3.075 6.115 0.796 1.00 1.13 C ATOM 962 C THR A 61 -2.398 4.737 0.812 1.00 72.10 C ATOM 963 O THR A 61 -2.616 3.917 -0.082 1.00 1.22 O ATOM 964 CB THR A 61 -2.038 7.168 0.333 1.00 65.44 C ATOM 965 OG1 THR A 61 -2.643 8.470 0.301 1.00 21.34 O ATOM 966 CG2 THR A 61 -1.483 6.830 -1.051 1.00 14.31 C ATOM 0 H THR A 61 -3.478 7.427 2.403 1.00 1.33 H new ATOM 0 HA THR A 61 -3.911 6.093 0.097 1.00 1.13 H new ATOM 0 HB THR A 61 -1.213 7.162 1.045 1.00 65.44 H new ATOM 0 HG1 THR A 61 -2.280 9.017 1.029 1.00 21.34 H new ATOM 0 HG21 THR A 61 -0.758 7.588 -1.347 1.00 14.31 H new ATOM 0 HG22 THR A 61 -0.997 5.855 -1.020 1.00 14.31 H new ATOM 0 HG23 THR A 61 -2.298 6.806 -1.774 1.00 14.31 H new ATOM 974 N THR A 62 -1.603 4.486 1.847 1.00 53.22 N ATOM 975 CA THR A 62 -0.906 3.204 2.008 1.00 3.41 C ATOM 976 C THR A 62 -1.884 2.019 2.068 1.00 22.32 C ATOM 977 O THR A 62 -1.877 1.148 1.196 1.00 24.04 O ATOM 978 CB THR A 62 -0.036 3.190 3.286 1.00 53.50 C ATOM 979 OG1 THR A 62 0.945 4.234 3.228 1.00 2.02 O ATOM 980 CG2 THR A 62 0.659 1.846 3.456 1.00 40.05 C ATOM 0 H THR A 62 -1.421 5.156 2.595 1.00 53.22 H new ATOM 0 HA THR A 62 -0.269 3.095 1.130 1.00 3.41 H new ATOM 0 HB THR A 62 -0.691 3.355 4.142 1.00 53.50 H new ATOM 0 HG1 THR A 62 0.659 4.983 3.792 1.00 2.02 H new ATOM 0 HG21 THR A 62 1.265 1.862 4.362 1.00 40.05 H new ATOM 0 HG22 THR A 62 -0.089 1.057 3.533 1.00 40.05 H new ATOM 0 HG23 THR A 62 1.299 1.656 2.595 1.00 40.05 H new ATOM 988 N ASN A 63 -2.738 1.994 3.096 1.00 24.41 N ATOM 989 CA ASN A 63 -3.655 0.863 3.304 1.00 52.14 C ATOM 990 C ASN A 63 -4.780 0.846 2.256 1.00 22.22 C ATOM 991 O ASN A 63 -5.513 -0.135 2.126 1.00 62.21 O ATOM 992 CB ASN A 63 -4.245 0.889 4.721 1.00 13.33 C ATOM 993 CG ASN A 63 -5.208 2.039 4.951 1.00 3.41 C ATOM 994 OD1 ASN A 63 -6.404 1.920 4.707 1.00 50.35 O ATOM 995 ND2 ASN A 63 -4.708 3.151 5.436 1.00 42.42 N ATOM 0 H ASN A 63 -2.815 2.735 3.792 1.00 24.41 H new ATOM 0 HA ASN A 63 -3.074 -0.051 3.186 1.00 52.14 H new ATOM 0 HB2 ASN A 63 -4.763 -0.052 4.909 1.00 13.33 H new ATOM 0 HB3 ASN A 63 -3.432 0.955 5.444 1.00 13.33 H new ATOM 0 HD21 ASN A 63 -5.319 3.947 5.620 1.00 42.42 H new ATOM 0 HD22 ASN A 63 -3.709 3.219 5.629 1.00 42.42 H new ATOM 1002 N ARG A 64 -4.909 1.943 1.517 1.00 60.32 N ATOM 1003 CA ARG A 64 -5.896 2.050 0.443 1.00 41.14 C ATOM 1004 C ARG A 64 -5.369 1.406 -0.849 1.00 64.42 C ATOM 1005 O ARG A 64 -6.094 0.687 -1.534 1.00 42.33 O ATOM 1006 CB ARG A 64 -6.245 3.525 0.204 1.00 33.13 C ATOM 1007 CG ARG A 64 -7.368 3.750 -0.800 1.00 23.50 C ATOM 1008 CD ARG A 64 -7.759 5.222 -0.886 1.00 0.15 C ATOM 1009 NE ARG A 64 -8.949 5.420 -1.710 1.00 42.43 N ATOM 1010 CZ ARG A 64 -9.987 6.125 -1.352 1.00 10.40 C ATOM 1011 NH1 ARG A 64 -10.011 6.751 -0.217 1.00 2.24 N ATOM 1012 NH2 ARG A 64 -11.003 6.204 -2.143 1.00 2.42 N ATOM 0 H ARG A 64 -4.338 2.779 1.642 1.00 60.32 H new ATOM 0 HA ARG A 64 -6.797 1.515 0.742 1.00 41.14 H new ATOM 0 HB2 ARG A 64 -6.527 3.978 1.154 1.00 33.13 H new ATOM 0 HB3 ARG A 64 -5.353 4.045 -0.144 1.00 33.13 H new ATOM 0 HG2 ARG A 64 -7.054 3.399 -1.783 1.00 23.50 H new ATOM 0 HG3 ARG A 64 -8.237 3.158 -0.513 1.00 23.50 H new ATOM 0 HD2 ARG A 64 -7.943 5.608 0.117 1.00 0.15 H new ATOM 0 HD3 ARG A 64 -6.930 5.795 -1.301 1.00 0.15 H new ATOM 0 HE ARG A 64 -8.970 4.977 -2.628 1.00 42.43 H new ATOM 0 HH11 ARG A 64 -9.210 6.697 0.412 1.00 2.24 H new ATOM 0 HH12 ARG A 64 -10.831 7.298 0.047 1.00 2.24 H new ATOM 0 HH21 ARG A 64 -10.990 5.718 -3.040 1.00 2.42 H new ATOM 0 HH22 ARG A 64 -11.819 6.753 -1.872 1.00 2.42 H new ATOM 1026 N ALA A 65 -4.096 1.656 -1.164 1.00 53.02 N ATOM 1027 CA ALA A 65 -3.450 1.059 -2.343 1.00 73.54 C ATOM 1028 C ALA A 65 -3.484 -0.475 -2.288 1.00 54.44 C ATOM 1029 O ALA A 65 -3.679 -1.147 -3.306 1.00 1.21 O ATOM 1030 CB ALA A 65 -2.011 1.547 -2.448 1.00 12.12 C ATOM 0 H ALA A 65 -3.488 2.269 -0.620 1.00 53.02 H new ATOM 0 HA ALA A 65 -4.006 1.373 -3.227 1.00 73.54 H new ATOM 0 HB1 ALA A 65 -1.539 1.101 -3.323 1.00 12.12 H new ATOM 0 HB2 ALA A 65 -2.001 2.633 -2.544 1.00 12.12 H new ATOM 0 HB3 ALA A 65 -1.462 1.257 -1.552 1.00 12.12 H new ATOM 1036 N ILE A 66 -3.304 -1.014 -1.082 1.00 34.04 N ATOM 1037 CA ILE A 66 -3.362 -2.462 -0.847 1.00 52.12 C ATOM 1038 C ILE A 66 -4.685 -3.063 -1.361 1.00 11.13 C ATOM 1039 O ILE A 66 -4.711 -4.164 -1.920 1.00 31.14 O ATOM 1040 CB ILE A 66 -3.208 -2.784 0.665 1.00 35.12 C ATOM 1041 CG1 ILE A 66 -1.920 -2.151 1.224 1.00 32.21 C ATOM 1042 CG2 ILE A 66 -3.225 -4.294 0.916 1.00 53.40 C ATOM 1043 CD1 ILE A 66 -0.649 -2.617 0.538 1.00 74.34 C ATOM 0 H ILE A 66 -3.115 -0.465 -0.243 1.00 34.04 H new ATOM 0 HA ILE A 66 -2.535 -2.909 -1.398 1.00 52.12 H new ATOM 0 HB ILE A 66 -4.060 -2.352 1.189 1.00 35.12 H new ATOM 0 HG12 ILE A 66 -1.992 -1.067 1.133 1.00 32.21 H new ATOM 0 HG13 ILE A 66 -1.849 -2.378 2.288 1.00 32.21 H new ATOM 0 HG21 ILE A 66 -3.115 -4.487 1.983 1.00 53.40 H new ATOM 0 HG22 ILE A 66 -4.170 -4.710 0.567 1.00 53.40 H new ATOM 0 HG23 ILE A 66 -2.402 -4.762 0.376 1.00 53.40 H new ATOM 0 HD11 ILE A 66 0.211 -2.124 0.991 1.00 74.34 H new ATOM 0 HD12 ILE A 66 -0.549 -3.697 0.651 1.00 74.34 H new ATOM 0 HD13 ILE A 66 -0.694 -2.366 -0.522 1.00 74.34 H new ATOM 1055 N SER A 67 -5.775 -2.315 -1.181 1.00 41.32 N ATOM 1056 CA SER A 67 -7.113 -2.754 -1.606 1.00 4.25 C ATOM 1057 C SER A 67 -7.173 -3.023 -3.117 1.00 33.52 C ATOM 1058 O SER A 67 -7.747 -4.019 -3.557 1.00 43.53 O ATOM 1059 CB SER A 67 -8.163 -1.701 -1.225 1.00 20.55 C ATOM 1060 OG SER A 67 -9.463 -2.080 -1.650 1.00 71.42 O ATOM 0 H SER A 67 -5.760 -1.395 -0.741 1.00 41.32 H new ATOM 0 HA SER A 67 -7.329 -3.689 -1.090 1.00 4.25 H new ATOM 0 HB2 SER A 67 -8.160 -1.558 -0.144 1.00 20.55 H new ATOM 0 HB3 SER A 67 -7.898 -0.744 -1.673 1.00 20.55 H new ATOM 0 HG SER A 67 -10.107 -1.388 -1.390 1.00 71.42 H new ATOM 1066 N LEU A 68 -6.557 -2.143 -3.909 1.00 23.30 N ATOM 1067 CA LEU A 68 -6.547 -2.292 -5.371 1.00 30.03 C ATOM 1068 C LEU A 68 -5.906 -3.626 -5.791 1.00 30.42 C ATOM 1069 O LEU A 68 -6.482 -4.379 -6.582 1.00 23.03 O ATOM 1070 CB LEU A 68 -5.814 -1.117 -6.046 1.00 4.12 C ATOM 1071 CG LEU A 68 -6.550 0.243 -6.022 1.00 13.22 C ATOM 1072 CD1 LEU A 68 -7.945 0.122 -6.632 1.00 42.23 C ATOM 1073 CD2 LEU A 68 -6.629 0.811 -4.607 1.00 42.12 C ATOM 0 H LEU A 68 -6.059 -1.321 -3.567 1.00 23.30 H new ATOM 0 HA LEU A 68 -7.585 -2.288 -5.704 1.00 30.03 H new ATOM 0 HB2 LEU A 68 -4.845 -0.992 -5.562 1.00 4.12 H new ATOM 0 HB3 LEU A 68 -5.619 -1.384 -7.085 1.00 4.12 H new ATOM 0 HG LEU A 68 -5.970 0.938 -6.629 1.00 13.22 H new ATOM 0 HD11 LEU A 68 -8.440 1.092 -6.602 1.00 42.23 H new ATOM 0 HD12 LEU A 68 -7.862 -0.212 -7.666 1.00 42.23 H new ATOM 0 HD13 LEU A 68 -8.529 -0.601 -6.063 1.00 42.23 H new ATOM 0 HD21 LEU A 68 -7.152 1.767 -4.627 1.00 42.12 H new ATOM 0 HD22 LEU A 68 -7.169 0.115 -3.965 1.00 42.12 H new ATOM 0 HD23 LEU A 68 -5.622 0.957 -4.217 1.00 42.12 H new ATOM 1085 N TYR A 69 -4.721 -3.921 -5.249 1.00 11.03 N ATOM 1086 CA TYR A 69 -4.035 -5.188 -5.537 1.00 34.31 C ATOM 1087 C TYR A 69 -4.850 -6.403 -5.072 1.00 62.41 C ATOM 1088 O TYR A 69 -5.148 -7.299 -5.863 1.00 60.41 O ATOM 1089 CB TYR A 69 -2.643 -5.226 -4.880 1.00 3.25 C ATOM 1090 CG TYR A 69 -1.567 -4.491 -5.662 1.00 2.52 C ATOM 1091 CD1 TYR A 69 -1.332 -4.790 -7.000 1.00 42.24 C ATOM 1092 CD2 TYR A 69 -0.780 -3.514 -5.063 1.00 12.12 C ATOM 1093 CE1 TYR A 69 -0.347 -4.137 -7.717 1.00 35.32 C ATOM 1094 CE2 TYR A 69 0.206 -2.860 -5.775 1.00 52.23 C ATOM 1095 CZ TYR A 69 0.420 -3.174 -7.100 1.00 51.42 C ATOM 1096 OH TYR A 69 1.404 -2.520 -7.811 1.00 62.12 O ATOM 0 H TYR A 69 -4.217 -3.305 -4.611 1.00 11.03 H new ATOM 0 HA TYR A 69 -3.925 -5.242 -6.620 1.00 34.31 H new ATOM 0 HB2 TYR A 69 -2.712 -4.792 -3.882 1.00 3.25 H new ATOM 0 HB3 TYR A 69 -2.340 -6.266 -4.755 1.00 3.25 H new ATOM 0 HD1 TYR A 69 -1.930 -5.546 -7.487 1.00 42.24 H new ATOM 0 HD2 TYR A 69 -0.942 -3.263 -4.025 1.00 12.12 H new ATOM 0 HE1 TYR A 69 -0.180 -4.381 -8.756 1.00 35.32 H new ATOM 0 HE2 TYR A 69 0.809 -2.104 -5.294 1.00 52.23 H new ATOM 0 HH TYR A 69 0.999 -1.814 -8.357 1.00 62.12 H new ATOM 1106 N MET A 70 -5.217 -6.424 -3.792 1.00 40.13 N ATOM 1107 CA MET A 70 -5.927 -7.573 -3.210 1.00 33.33 C ATOM 1108 C MET A 70 -7.265 -7.846 -3.919 1.00 23.34 C ATOM 1109 O MET A 70 -7.588 -8.998 -4.216 1.00 70.34 O ATOM 1110 CB MET A 70 -6.153 -7.356 -1.707 1.00 52.42 C ATOM 1111 CG MET A 70 -4.862 -7.286 -0.900 1.00 65.40 C ATOM 1112 SD MET A 70 -5.152 -7.169 0.878 1.00 14.25 S ATOM 1113 CE MET A 70 -5.997 -8.719 1.193 1.00 21.03 C ATOM 0 H MET A 70 -5.038 -5.664 -3.136 1.00 40.13 H new ATOM 0 HA MET A 70 -5.298 -8.451 -3.354 1.00 33.33 H new ATOM 0 HB2 MET A 70 -6.713 -6.432 -1.562 1.00 52.42 H new ATOM 0 HB3 MET A 70 -6.770 -8.167 -1.320 1.00 52.42 H new ATOM 0 HG2 MET A 70 -4.261 -8.171 -1.108 1.00 65.40 H new ATOM 0 HG3 MET A 70 -4.282 -6.423 -1.226 1.00 65.40 H new ATOM 0 HE1 MET A 70 -5.883 -8.989 2.243 1.00 21.03 H new ATOM 0 HE2 MET A 70 -7.056 -8.610 0.959 1.00 21.03 H new ATOM 0 HE3 MET A 70 -5.566 -9.502 0.568 1.00 21.03 H new ATOM 1123 N ALA A 71 -8.027 -6.786 -4.198 1.00 52.30 N ATOM 1124 CA ALA A 71 -9.328 -6.916 -4.869 1.00 22.41 C ATOM 1125 C ALA A 71 -9.187 -7.474 -6.296 1.00 10.41 C ATOM 1126 O ALA A 71 -9.965 -8.330 -6.718 1.00 75.23 O ATOM 1127 CB ALA A 71 -10.052 -5.572 -4.892 1.00 72.23 C ATOM 0 H ALA A 71 -7.768 -5.826 -3.970 1.00 52.30 H new ATOM 0 HA ALA A 71 -9.920 -7.630 -4.297 1.00 22.41 H new ATOM 0 HB1 ALA A 71 -11.014 -5.685 -5.392 1.00 72.23 H new ATOM 0 HB2 ALA A 71 -10.213 -5.228 -3.870 1.00 72.23 H new ATOM 0 HB3 ALA A 71 -9.447 -4.842 -5.430 1.00 72.23 H new ATOM 1133 N ASN A 72 -8.190 -6.996 -7.037 1.00 75.12 N ATOM 1134 CA ASN A 72 -7.968 -7.466 -8.408 1.00 51.33 C ATOM 1135 C ASN A 72 -7.423 -8.902 -8.417 1.00 62.13 C ATOM 1136 O ASN A 72 -7.929 -9.767 -9.138 1.00 61.44 O ATOM 1137 CB ASN A 72 -6.997 -6.538 -9.146 1.00 63.44 C ATOM 1138 CG ASN A 72 -6.835 -6.922 -10.608 1.00 44.32 C ATOM 1139 OD1 ASN A 72 -5.973 -7.715 -10.965 1.00 72.43 O ATOM 1140 ND2 ASN A 72 -7.672 -6.375 -11.465 1.00 1.14 N ATOM 0 H ASN A 72 -7.527 -6.290 -6.718 1.00 75.12 H new ATOM 0 HA ASN A 72 -8.929 -7.456 -8.922 1.00 51.33 H new ATOM 0 HB2 ASN A 72 -7.357 -5.511 -9.080 1.00 63.44 H new ATOM 0 HB3 ASN A 72 -6.025 -6.567 -8.654 1.00 63.44 H new ATOM 0 HD21 ASN A 72 -7.612 -6.609 -12.456 1.00 1.14 H new ATOM 0 HD22 ASN A 72 -8.380 -5.718 -11.138 1.00 1.14 H new ATOM 1147 N LEU A 73 -6.400 -9.148 -7.596 1.00 40.54 N ATOM 1148 CA LEU A 73 -5.737 -10.459 -7.526 1.00 15.13 C ATOM 1149 C LEU A 73 -6.736 -11.572 -7.171 1.00 14.31 C ATOM 1150 O LEU A 73 -6.766 -12.617 -7.824 1.00 64.03 O ATOM 1151 CB LEU A 73 -4.578 -10.405 -6.501 1.00 70.03 C ATOM 1152 CG LEU A 73 -3.534 -11.548 -6.566 1.00 31.15 C ATOM 1153 CD1 LEU A 73 -4.097 -12.866 -6.031 1.00 60.04 C ATOM 1154 CD2 LEU A 73 -3.018 -11.723 -7.996 1.00 22.22 C ATOM 0 H LEU A 73 -6.007 -8.451 -6.963 1.00 40.54 H new ATOM 0 HA LEU A 73 -5.328 -10.694 -8.509 1.00 15.13 H new ATOM 0 HB2 LEU A 73 -4.054 -9.458 -6.631 1.00 70.03 H new ATOM 0 HB3 LEU A 73 -5.010 -10.396 -5.500 1.00 70.03 H new ATOM 0 HG LEU A 73 -2.700 -11.266 -5.923 1.00 31.15 H new ATOM 0 HD11 LEU A 73 -3.333 -13.641 -6.095 1.00 60.04 H new ATOM 0 HD12 LEU A 73 -4.398 -12.738 -4.991 1.00 60.04 H new ATOM 0 HD13 LEU A 73 -4.962 -13.160 -6.625 1.00 60.04 H new ATOM 0 HD21 LEU A 73 -2.286 -12.530 -8.022 1.00 22.22 H new ATOM 0 HD22 LEU A 73 -3.851 -11.967 -8.656 1.00 22.22 H new ATOM 0 HD23 LEU A 73 -2.550 -10.797 -8.330 1.00 22.22 H new ATOM 1166 N GLU A 74 -7.564 -11.343 -6.146 1.00 44.53 N ATOM 1167 CA GLU A 74 -8.538 -12.352 -5.704 1.00 33.14 C ATOM 1168 C GLU A 74 -9.541 -12.707 -6.815 1.00 31.31 C ATOM 1169 O GLU A 74 -9.920 -13.865 -6.973 1.00 72.22 O ATOM 1170 CB GLU A 74 -9.298 -11.872 -4.458 1.00 31.24 C ATOM 1171 CG GLU A 74 -10.168 -10.643 -4.697 1.00 52.34 C ATOM 1172 CD GLU A 74 -11.085 -10.335 -3.529 1.00 71.24 C ATOM 1173 OE1 GLU A 74 -12.166 -10.954 -3.447 1.00 74.41 O ATOM 1174 OE2 GLU A 74 -10.731 -9.484 -2.686 1.00 3.15 O ATOM 0 H GLU A 74 -7.581 -10.476 -5.609 1.00 44.53 H new ATOM 0 HA GLU A 74 -7.972 -13.250 -5.456 1.00 33.14 H new ATOM 0 HB2 GLU A 74 -9.927 -12.684 -4.093 1.00 31.24 H new ATOM 0 HB3 GLU A 74 -8.579 -11.648 -3.670 1.00 31.24 H new ATOM 0 HG2 GLU A 74 -9.528 -9.782 -4.887 1.00 52.34 H new ATOM 0 HG3 GLU A 74 -10.769 -10.798 -5.593 1.00 52.34 H new ATOM 1181 N HIS A 75 -9.959 -11.706 -7.590 1.00 42.44 N ATOM 1182 CA HIS A 75 -10.941 -11.920 -8.658 1.00 20.03 C ATOM 1183 C HIS A 75 -10.273 -12.403 -9.955 1.00 73.25 C ATOM 1184 O HIS A 75 -10.925 -12.995 -10.813 1.00 2.22 O ATOM 1185 CB HIS A 75 -11.741 -10.637 -8.905 1.00 44.01 C ATOM 1186 CG HIS A 75 -12.519 -10.182 -7.701 1.00 61.23 C ATOM 1187 ND1 HIS A 75 -12.428 -8.912 -7.175 1.00 14.34 N ATOM 1188 CD2 HIS A 75 -13.408 -10.841 -6.917 1.00 35.13 C ATOM 1189 CE1 HIS A 75 -13.219 -8.808 -6.130 1.00 64.33 C ATOM 1190 NE2 HIS A 75 -13.825 -9.961 -5.949 1.00 52.42 N ATOM 0 H HIS A 75 -9.636 -10.743 -7.501 1.00 42.44 H new ATOM 0 HA HIS A 75 -11.624 -12.705 -8.333 1.00 20.03 H new ATOM 0 HB2 HIS A 75 -11.058 -9.844 -9.209 1.00 44.01 H new ATOM 0 HB3 HIS A 75 -12.430 -10.800 -9.734 1.00 44.01 H new ATOM 0 HD1 HIS A 75 -11.837 -8.166 -7.541 1.00 14.34 H new ATOM 0 HD2 HIS A 75 -13.728 -11.866 -7.032 1.00 35.13 H new ATOM 0 HE1 HIS A 75 -13.349 -7.925 -5.523 1.00 64.33 H new ATOM 1199 N HIS A 76 -8.974 -12.149 -10.094 1.00 72.13 N ATOM 1200 CA HIS A 76 -8.206 -12.665 -11.233 1.00 61.53 C ATOM 1201 C HIS A 76 -7.855 -14.148 -11.030 1.00 3.20 C ATOM 1202 O HIS A 76 -7.969 -14.957 -11.951 1.00 35.31 O ATOM 1203 CB HIS A 76 -6.928 -11.843 -11.432 1.00 75.24 C ATOM 1204 CG HIS A 76 -6.100 -12.306 -12.591 1.00 30.52 C ATOM 1205 ND1 HIS A 76 -6.478 -12.128 -13.902 1.00 52.33 N ATOM 1206 CD2 HIS A 76 -4.916 -12.967 -12.632 1.00 23.31 C ATOM 1207 CE1 HIS A 76 -5.570 -12.656 -14.696 1.00 11.05 C ATOM 1208 NE2 HIS A 76 -4.614 -13.170 -13.954 1.00 44.33 N ATOM 0 H HIS A 76 -8.429 -11.591 -9.436 1.00 72.13 H new ATOM 0 HA HIS A 76 -8.824 -12.577 -12.126 1.00 61.53 H new ATOM 0 HB2 HIS A 76 -7.197 -10.797 -11.581 1.00 75.24 H new ATOM 0 HB3 HIS A 76 -6.328 -11.892 -10.523 1.00 75.24 H new ATOM 0 HD2 HIS A 76 -4.323 -13.275 -11.783 1.00 23.31 H new ATOM 0 HE1 HIS A 76 -5.605 -12.665 -15.775 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -3.782 -13.644 -14.305 1.00 44.33 H new ATOM 1217 N HIS A 77 -7.401 -14.488 -9.825 1.00 33.32 N ATOM 1218 CA HIS A 77 -7.129 -15.883 -9.458 1.00 11.21 C ATOM 1219 C HIS A 77 -8.454 -16.648 -9.312 1.00 32.44 C ATOM 1220 O HIS A 77 -8.623 -17.724 -9.877 1.00 51.22 O ATOM 1221 CB HIS A 77 -6.328 -15.928 -8.145 1.00 60.14 C ATOM 1222 CG HIS A 77 -5.794 -17.285 -7.786 1.00 73.23 C ATOM 1223 ND1 HIS A 77 -6.380 -18.100 -6.842 1.00 44.14 N ATOM 1224 CD2 HIS A 77 -4.703 -17.959 -8.230 1.00 55.31 C ATOM 1225 CE1 HIS A 77 -5.675 -19.207 -6.717 1.00 31.45 C ATOM 1226 NE2 HIS A 77 -4.656 -19.147 -7.546 1.00 14.14 N ATOM 0 H HIS A 77 -7.212 -13.816 -9.081 1.00 33.32 H new ATOM 0 HA HIS A 77 -6.538 -16.358 -10.241 1.00 11.21 H new ATOM 0 HB2 HIS A 77 -5.493 -15.231 -8.220 1.00 60.14 H new ATOM 0 HB3 HIS A 77 -6.965 -15.576 -7.334 1.00 60.14 H new ATOM 0 HD2 HIS A 77 -4.003 -17.623 -8.981 1.00 55.31 H new ATOM 0 HE1 HIS A 77 -5.897 -20.025 -6.047 1.00 31.45 H new ATOM 0 HE2 HIS A 77 -3.944 -19.869 -7.662 1.00 14.14 H new ATOM 1235 N HIS A 78 -9.366 -16.063 -8.525 1.00 20.30 N ATOM 1236 CA HIS A 78 -10.767 -16.507 -8.393 1.00 13.13 C ATOM 1237 C HIS A 78 -10.949 -18.024 -8.196 1.00 44.12 C ATOM 1238 O HIS A 78 -10.707 -18.825 -9.099 1.00 14.20 O ATOM 1239 CB HIS A 78 -11.590 -16.032 -9.597 1.00 55.15 C ATOM 1240 CG HIS A 78 -13.063 -16.288 -9.450 1.00 74.31 C ATOM 1241 ND1 HIS A 78 -13.787 -15.891 -8.346 1.00 24.12 N ATOM 1242 CD2 HIS A 78 -13.948 -16.916 -10.265 1.00 4.54 C ATOM 1243 CE1 HIS A 78 -15.043 -16.256 -8.486 1.00 52.20 C ATOM 1244 NE2 HIS A 78 -15.168 -16.878 -9.637 1.00 11.12 N ATOM 0 H HIS A 78 -9.150 -15.250 -7.948 1.00 20.30 H new ATOM 0 HA HIS A 78 -11.130 -16.046 -7.474 1.00 13.13 H new ATOM 0 HB2 HIS A 78 -11.427 -14.964 -9.741 1.00 55.15 H new ATOM 0 HB3 HIS A 78 -11.229 -16.533 -10.495 1.00 55.15 H new ATOM 0 HD2 HIS A 78 -13.733 -17.361 -11.225 1.00 4.54 H new ATOM 0 HE1 HIS A 78 -15.836 -16.075 -7.776 1.00 52.20 H new ATOM 0 HE2 HIS A 78 -16.034 -17.270 -10.005 1.00 11.12 H new ATOM 1253 N HIS A 79 -11.430 -18.400 -7.018 1.00 0.31 N ATOM 1254 CA HIS A 79 -11.734 -19.802 -6.708 1.00 14.42 C ATOM 1255 C HIS A 79 -12.560 -19.911 -5.417 1.00 43.12 C ATOM 1256 O HIS A 79 -13.397 -20.803 -5.279 1.00 53.54 O ATOM 1257 CB HIS A 79 -10.440 -20.619 -6.593 1.00 40.40 C ATOM 1258 CG HIS A 79 -10.663 -22.083 -6.342 1.00 10.44 C ATOM 1259 ND1 HIS A 79 -9.933 -22.808 -5.430 1.00 24.51 N ATOM 1260 CD2 HIS A 79 -11.535 -22.957 -6.896 1.00 14.21 C ATOM 1261 CE1 HIS A 79 -10.342 -24.060 -5.432 1.00 33.42 C ATOM 1262 NE2 HIS A 79 -11.314 -24.179 -6.311 1.00 50.41 N ATOM 0 H HIS A 79 -11.621 -17.753 -6.253 1.00 0.31 H new ATOM 0 HA HIS A 79 -12.329 -20.210 -7.525 1.00 14.42 H new ATOM 0 HB2 HIS A 79 -9.865 -20.502 -7.512 1.00 40.40 H new ATOM 0 HB3 HIS A 79 -9.835 -20.210 -5.784 1.00 40.40 H new ATOM 0 HD2 HIS A 79 -12.268 -22.734 -7.657 1.00 14.21 H new ATOM 0 HE1 HIS A 79 -9.947 -24.854 -4.816 1.00 33.42 H new ATOM 0 HE2 HIS A 79 -11.820 -25.039 -6.523 1.00 50.41 H new ATOM 1271 N HIS A 80 -12.312 -19.007 -4.471 1.00 0.00 N ATOM 1272 CA HIS A 80 -13.085 -18.957 -3.219 1.00 54.35 C ATOM 1273 C HIS A 80 -14.062 -17.763 -3.223 1.00 61.54 C ATOM 1274 O HIS A 80 -13.587 -16.605 -3.211 1.00 37.11 O ATOM 1275 CB HIS A 80 -12.139 -18.871 -2.007 1.00 24.31 C ATOM 1276 CG HIS A 80 -12.538 -19.763 -0.869 1.00 12.13 C ATOM 1277 ND1 HIS A 80 -13.236 -19.326 0.236 1.00 70.25 N ATOM 1278 CD2 HIS A 80 -12.319 -21.082 -0.670 1.00 55.35 C ATOM 1279 CE1 HIS A 80 -13.425 -20.335 1.063 1.00 55.10 C ATOM 1280 NE2 HIS A 80 -12.878 -21.412 0.538 1.00 62.42 N ATOM 1281 OXT HIS A 80 -15.291 -17.989 -3.244 1.00 37.11 O ATOM 0 H HIS A 80 -11.583 -18.297 -4.542 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.669 -19.875 -3.143 1.00 54.35 H new ATOM 0 HB2 HIS A 80 -11.130 -19.132 -2.325 1.00 24.31 H new ATOM 0 HB3 HIS A 80 -12.106 -17.840 -1.655 1.00 24.31 H new ATOM 0 HD2 HIS A 80 -11.800 -21.752 -1.339 1.00 55.35 H new ATOM 0 HE1 HIS A 80 -13.941 -20.287 2.011 1.00 55.10 H new ATOM 0 HE2 HIS A 80 -12.871 -22.340 0.961 1.00 62.42 H new TER 1290 HIS A 80