USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 430 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 45 GLN : amide:sc= -3.41! C(o=-3.3!,f=-8!) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0.0699 USER MOD Set 2.1: A 42 CYS SG : rot 130:sc= -0.594! USER MOD Set 2.2: A 43 HIS : no HE2:sc= -8.22! C(o=-8.8!,f=-12!) USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc= 0.219 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -0.896 X(o=-0.68,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.359 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.7!) USER MOD Single : A 14 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.4!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2! C(o=-2!,f=-0.67!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.7) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 157:sc= -0.0592 (180deg=-0.619) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.076) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.35! C(o=-3.4!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.338 0.274 2.067 1.00 0.90 N ATOM 2 CA GLY A 1 1.347 0.256 3.557 1.00 0.70 C ATOM 3 C GLY A 1 0.944 -1.127 4.075 1.00 0.91 C ATOM 4 O GLY A 1 1.537 -2.126 3.716 1.00 1.50 O ATOM 0 H1 GLY A 1 1.613 1.218 1.730 1.00 0.90 H new ATOM 0 H2 GLY A 1 2.011 -0.432 1.707 1.00 0.90 H new ATOM 0 H3 GLY A 1 0.383 0.048 1.723 1.00 0.90 H new ATOM 0 HA2 GLY A 1 2.340 0.514 3.924 1.00 0.70 H new ATOM 0 HA3 GLY A 1 0.659 1.010 3.941 1.00 0.70 H new ATOM 10 N SER A 2 -0.058 -1.156 4.911 1.00 0.55 N ATOM 11 CA SER A 2 -0.516 -2.459 5.463 1.00 0.77 C ATOM 12 C SER A 2 -2.018 -2.433 5.750 1.00 0.67 C ATOM 13 O SER A 2 -2.485 -3.036 6.696 1.00 1.71 O ATOM 14 CB SER A 2 0.235 -2.710 6.777 1.00 1.01 C ATOM 15 OG SER A 2 1.515 -3.165 6.363 1.00 1.06 O ATOM 0 H SER A 2 -0.576 -0.338 5.233 1.00 0.55 H new ATOM 0 HA SER A 2 -0.317 -3.247 4.736 1.00 0.77 H new ATOM 0 HB2 SER A 2 0.309 -1.801 7.374 1.00 1.01 H new ATOM 0 HB3 SER A 2 -0.273 -3.454 7.391 1.00 1.01 H new ATOM 0 HG SER A 2 1.623 -3.008 5.402 1.00 1.06 H new ATOM 21 N THR A 3 -2.740 -1.728 4.922 1.00 0.72 N ATOM 22 CA THR A 3 -4.215 -1.639 5.114 1.00 0.49 C ATOM 23 C THR A 3 -4.876 -3.004 4.934 1.00 0.78 C ATOM 24 O THR A 3 -5.169 -3.401 3.832 1.00 2.09 O ATOM 25 CB THR A 3 -4.773 -0.695 4.041 1.00 0.57 C ATOM 26 OG1 THR A 3 -3.682 -0.411 3.188 1.00 2.88 O ATOM 27 CG2 THR A 3 -5.154 0.659 4.634 1.00 1.98 C ATOM 0 H THR A 3 -2.373 -1.211 4.123 1.00 0.72 H new ATOM 0 HA THR A 3 -4.421 -1.279 6.122 1.00 0.49 H new ATOM 0 HB THR A 3 -5.639 -1.157 3.567 1.00 0.57 H new ATOM 0 HG1 THR A 3 -3.974 0.192 2.473 1.00 2.88 H new ATOM 0 HG21 THR A 3 -5.546 1.304 3.847 1.00 1.98 H new ATOM 0 HG22 THR A 3 -5.916 0.519 5.401 1.00 1.98 H new ATOM 0 HG23 THR A 3 -4.273 1.123 5.078 1.00 1.98 H new ATOM 35 N TYR A 4 -5.076 -3.715 6.008 1.00 0.57 N ATOM 36 CA TYR A 4 -5.720 -5.052 5.859 1.00 0.37 C ATOM 37 C TYR A 4 -6.043 -5.704 7.205 1.00 0.18 C ATOM 38 O TYR A 4 -5.258 -5.660 8.133 1.00 0.17 O ATOM 39 CB TYR A 4 -4.769 -5.969 5.095 1.00 0.59 C ATOM 40 CG TYR A 4 -5.240 -6.117 3.644 1.00 0.33 C ATOM 41 CD1 TYR A 4 -6.454 -6.709 3.358 1.00 0.50 C ATOM 42 CD2 TYR A 4 -4.446 -5.681 2.602 1.00 0.11 C ATOM 43 CE1 TYR A 4 -6.867 -6.864 2.049 1.00 0.60 C ATOM 44 CE2 TYR A 4 -4.858 -5.837 1.293 1.00 0.30 C ATOM 45 CZ TYR A 4 -6.072 -6.430 1.007 1.00 0.54 C ATOM 46 OH TYR A 4 -6.483 -6.591 -0.303 1.00 0.83 O ATOM 0 H TYR A 4 -4.830 -3.440 6.959 1.00 0.57 H new ATOM 0 HA TYR A 4 -6.659 -4.907 5.326 1.00 0.37 H new ATOM 0 HB2 TYR A 4 -3.759 -5.561 5.119 1.00 0.59 H new ATOM 0 HB3 TYR A 4 -4.729 -6.947 5.575 1.00 0.59 H new ATOM 0 HD1 TYR A 4 -7.085 -7.053 4.164 1.00 0.50 H new ATOM 0 HD2 TYR A 4 -3.495 -5.214 2.812 1.00 0.11 H new ATOM 0 HE1 TYR A 4 -7.819 -7.328 1.839 1.00 0.60 H new ATOM 0 HE2 TYR A 4 -4.226 -5.493 0.487 1.00 0.30 H new ATOM 0 HH TYR A 4 -5.802 -6.228 -0.907 1.00 0.83 H new ATOM 56 N VAL A 5 -7.201 -6.308 7.269 1.00 0.23 N ATOM 57 CA VAL A 5 -7.640 -6.990 8.523 1.00 0.14 C ATOM 58 C VAL A 5 -8.078 -8.418 8.217 1.00 0.19 C ATOM 59 O VAL A 5 -7.834 -8.936 7.149 1.00 0.23 O ATOM 60 CB VAL A 5 -8.865 -6.271 9.080 1.00 0.15 C ATOM 61 CG1 VAL A 5 -8.574 -4.760 9.252 1.00 0.27 C ATOM 62 CG2 VAL A 5 -10.016 -6.500 8.098 1.00 0.13 C ATOM 0 H VAL A 5 -7.868 -6.358 6.499 1.00 0.23 H new ATOM 0 HA VAL A 5 -6.809 -6.981 9.228 1.00 0.14 H new ATOM 0 HB VAL A 5 -9.127 -6.661 10.064 1.00 0.15 H new ATOM 0 HG11 VAL A 5 -9.458 -4.262 9.650 1.00 0.27 H new ATOM 0 HG12 VAL A 5 -7.741 -4.626 9.942 1.00 0.27 H new ATOM 0 HG13 VAL A 5 -8.318 -4.326 8.285 1.00 0.27 H new ATOM 0 HG21 VAL A 5 -10.912 -5.999 8.464 1.00 0.13 H new ATOM 0 HG22 VAL A 5 -9.747 -6.096 7.122 1.00 0.13 H new ATOM 0 HG23 VAL A 5 -10.210 -7.569 8.007 1.00 0.13 H new ATOM 72 N GLN A 6 -8.705 -9.017 9.185 1.00 0.21 N ATOM 73 CA GLN A 6 -9.203 -10.409 9.031 1.00 0.25 C ATOM 74 C GLN A 6 -10.530 -10.472 9.732 1.00 0.29 C ATOM 75 O GLN A 6 -10.588 -10.399 10.935 1.00 0.42 O ATOM 76 CB GLN A 6 -8.282 -11.429 9.698 1.00 0.22 C ATOM 77 CG GLN A 6 -6.818 -11.112 9.407 1.00 0.14 C ATOM 78 CD GLN A 6 -5.996 -12.390 9.605 1.00 0.17 C ATOM 79 OE1 GLN A 6 -4.943 -12.377 10.210 1.00 0.28 O ATOM 80 NE2 GLN A 6 -6.449 -13.513 9.110 1.00 0.20 N ATOM 0 H GLN A 6 -8.897 -8.594 10.093 1.00 0.21 H new ATOM 0 HA GLN A 6 -9.260 -10.648 7.969 1.00 0.25 H new ATOM 0 HB2 GLN A 6 -8.451 -11.429 10.775 1.00 0.22 H new ATOM 0 HB3 GLN A 6 -8.520 -12.430 9.338 1.00 0.22 H new ATOM 0 HG2 GLN A 6 -6.706 -10.743 8.387 1.00 0.14 H new ATOM 0 HG3 GLN A 6 -6.461 -10.325 10.072 1.00 0.14 H new ATOM 0 HE21 GLN A 6 -7.333 -13.526 8.602 1.00 0.20 H new ATOM 0 HE22 GLN A 6 -5.918 -14.375 9.233 1.00 0.20 H new ATOM 89 N ALA A 7 -11.567 -10.583 8.976 1.00 0.31 N ATOM 90 CA ALA A 7 -12.901 -10.644 9.600 1.00 0.26 C ATOM 91 C ALA A 7 -12.869 -11.389 10.941 1.00 0.23 C ATOM 92 O ALA A 7 -12.577 -12.567 11.005 1.00 0.24 O ATOM 93 CB ALA A 7 -13.843 -11.351 8.634 1.00 0.25 C ATOM 0 H ALA A 7 -11.552 -10.634 7.957 1.00 0.31 H new ATOM 0 HA ALA A 7 -13.244 -9.630 9.805 1.00 0.26 H new ATOM 0 HB1 ALA A 7 -14.839 -11.409 9.074 1.00 0.25 H new ATOM 0 HB2 ALA A 7 -13.891 -10.793 7.699 1.00 0.25 H new ATOM 0 HB3 ALA A 7 -13.474 -12.358 8.437 1.00 0.25 H new ATOM 99 N LEU A 8 -13.168 -10.662 11.984 1.00 0.26 N ATOM 100 CA LEU A 8 -13.173 -11.244 13.344 1.00 0.22 C ATOM 101 C LEU A 8 -14.391 -12.135 13.519 1.00 0.09 C ATOM 102 O LEU A 8 -14.326 -13.188 14.122 1.00 0.10 O ATOM 103 CB LEU A 8 -13.262 -10.061 14.316 1.00 0.29 C ATOM 104 CG LEU A 8 -12.467 -10.358 15.586 1.00 0.33 C ATOM 105 CD1 LEU A 8 -12.420 -9.090 16.434 1.00 0.25 C ATOM 106 CD2 LEU A 8 -13.155 -11.476 16.371 1.00 0.74 C ATOM 0 H LEU A 8 -13.412 -9.673 11.943 1.00 0.26 H new ATOM 0 HA LEU A 8 -12.282 -11.846 13.521 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -12.876 -9.160 13.839 1.00 0.29 H new ATOM 0 HB3 LEU A 8 -14.304 -9.866 14.568 1.00 0.29 H new ATOM 0 HG LEU A 8 -11.456 -10.675 15.330 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -11.856 -9.283 17.346 1.00 0.25 H new ATOM 0 HD12 LEU A 8 -11.936 -8.293 15.870 1.00 0.25 H new ATOM 0 HD13 LEU A 8 -13.435 -8.787 16.692 1.00 0.25 H new ATOM 0 HD21 LEU A 8 -12.587 -11.687 17.277 1.00 0.74 H new ATOM 0 HD22 LEU A 8 -14.164 -11.164 16.640 1.00 0.74 H new ATOM 0 HD23 LEU A 8 -13.205 -12.375 15.756 1.00 0.74 H new ATOM 118 N PHE A 9 -15.482 -11.676 12.986 1.00 0.19 N ATOM 119 CA PHE A 9 -16.738 -12.447 13.081 1.00 0.08 C ATOM 120 C PHE A 9 -17.429 -12.407 11.741 1.00 0.15 C ATOM 121 O PHE A 9 -16.959 -11.822 10.787 1.00 0.25 O ATOM 122 CB PHE A 9 -17.686 -11.776 14.069 1.00 0.13 C ATOM 123 CG PHE A 9 -17.806 -12.612 15.345 1.00 0.28 C ATOM 124 CD1 PHE A 9 -18.335 -13.887 15.301 1.00 0.49 C ATOM 125 CD2 PHE A 9 -17.417 -12.085 16.565 1.00 0.69 C ATOM 126 CE1 PHE A 9 -18.476 -14.626 16.460 1.00 0.59 C ATOM 127 CE2 PHE A 9 -17.558 -12.825 17.721 1.00 0.86 C ATOM 128 CZ PHE A 9 -18.088 -14.095 17.668 1.00 0.68 C ATOM 0 H PHE A 9 -15.555 -10.791 12.484 1.00 0.19 H new ATOM 0 HA PHE A 9 -16.502 -13.464 13.395 1.00 0.08 H new ATOM 0 HB2 PHE A 9 -17.321 -10.779 14.313 1.00 0.13 H new ATOM 0 HB3 PHE A 9 -18.669 -11.653 13.614 1.00 0.13 H new ATOM 0 HD1 PHE A 9 -18.640 -14.309 14.355 1.00 0.49 H new ATOM 0 HD2 PHE A 9 -17.001 -11.089 16.612 1.00 0.69 H new ATOM 0 HE1 PHE A 9 -18.891 -15.622 16.417 1.00 0.59 H new ATOM 0 HE2 PHE A 9 -17.252 -12.408 18.669 1.00 0.86 H new ATOM 0 HZ PHE A 9 -18.199 -14.673 18.574 1.00 0.68 H new ATOM 138 N ASP A 10 -18.524 -13.043 11.723 1.00 0.16 N ATOM 139 CA ASP A 10 -19.341 -13.105 10.509 1.00 0.30 C ATOM 140 C ASP A 10 -20.133 -11.810 10.418 1.00 0.24 C ATOM 141 O ASP A 10 -20.676 -11.370 11.410 1.00 0.13 O ATOM 142 CB ASP A 10 -20.300 -14.276 10.694 1.00 0.42 C ATOM 143 CG ASP A 10 -19.758 -15.192 11.795 1.00 0.40 C ATOM 144 OD1 ASP A 10 -18.580 -15.494 11.713 1.00 0.53 O ATOM 145 OD2 ASP A 10 -20.554 -15.534 12.655 1.00 0.42 O ATOM 0 H ASP A 10 -18.910 -13.544 12.523 1.00 0.16 H new ATOM 0 HA ASP A 10 -18.742 -13.233 9.608 1.00 0.30 H new ATOM 0 HB2 ASP A 10 -21.292 -13.912 10.961 1.00 0.42 H new ATOM 0 HB3 ASP A 10 -20.404 -14.829 9.761 1.00 0.42 H new ATOM 150 N PHE A 11 -20.189 -11.217 9.252 1.00 0.41 N ATOM 151 CA PHE A 11 -20.953 -9.943 9.139 1.00 0.37 C ATOM 152 C PHE A 11 -21.926 -9.908 7.973 1.00 0.29 C ATOM 153 O PHE A 11 -21.517 -9.888 6.830 1.00 0.30 O ATOM 154 CB PHE A 11 -19.956 -8.809 8.908 1.00 0.37 C ATOM 155 CG PHE A 11 -20.749 -7.513 8.827 1.00 0.32 C ATOM 156 CD1 PHE A 11 -21.370 -7.016 9.952 1.00 0.31 C ATOM 157 CD2 PHE A 11 -20.905 -6.856 7.621 1.00 0.30 C ATOM 158 CE1 PHE A 11 -22.140 -5.883 9.878 1.00 0.28 C ATOM 159 CE2 PHE A 11 -21.674 -5.719 7.546 1.00 0.27 C ATOM 160 CZ PHE A 11 -22.295 -5.230 8.677 1.00 0.25 C ATOM 0 H PHE A 11 -19.750 -11.551 8.394 1.00 0.41 H new ATOM 0 HA PHE A 11 -21.527 -9.845 10.060 1.00 0.37 H new ATOM 0 HB2 PHE A 11 -19.231 -8.765 9.720 1.00 0.37 H new ATOM 0 HB3 PHE A 11 -19.395 -8.973 7.988 1.00 0.37 H new ATOM 0 HD1 PHE A 11 -21.250 -7.522 10.899 1.00 0.31 H new ATOM 0 HD2 PHE A 11 -20.421 -7.237 6.734 1.00 0.30 H new ATOM 0 HE1 PHE A 11 -22.626 -5.503 10.765 1.00 0.28 H new ATOM 0 HE2 PHE A 11 -21.792 -5.208 6.602 1.00 0.27 H new ATOM 0 HZ PHE A 11 -22.901 -4.338 8.620 1.00 0.25 H new ATOM 170 N ASP A 12 -23.201 -9.900 8.279 1.00 0.27 N ATOM 171 CA ASP A 12 -24.182 -9.857 7.171 1.00 0.26 C ATOM 172 C ASP A 12 -24.555 -8.399 6.931 1.00 0.21 C ATOM 173 O ASP A 12 -24.867 -7.696 7.871 1.00 0.23 O ATOM 174 CB ASP A 12 -25.490 -10.551 7.528 1.00 0.37 C ATOM 175 CG ASP A 12 -25.765 -10.416 9.027 1.00 2.28 C ATOM 176 OD1 ASP A 12 -25.220 -9.486 9.596 1.00 3.79 O ATOM 177 OD2 ASP A 12 -26.508 -11.251 9.517 1.00 2.55 O ATOM 0 H ASP A 12 -23.589 -9.921 9.222 1.00 0.27 H new ATOM 0 HA ASP A 12 -23.723 -10.348 6.313 1.00 0.26 H new ATOM 0 HB2 ASP A 12 -26.310 -10.113 6.959 1.00 0.37 H new ATOM 0 HB3 ASP A 12 -25.438 -11.605 7.253 1.00 0.37 H new ATOM 182 N PRO A 13 -24.535 -7.948 5.709 1.00 0.20 N ATOM 183 CA PRO A 13 -24.885 -6.560 5.423 1.00 0.23 C ATOM 184 C PRO A 13 -26.103 -6.087 6.210 1.00 0.30 C ATOM 185 O PRO A 13 -27.215 -6.520 5.976 1.00 1.19 O ATOM 186 CB PRO A 13 -25.226 -6.608 3.948 1.00 0.30 C ATOM 187 CG PRO A 13 -24.392 -7.761 3.356 1.00 0.26 C ATOM 188 CD PRO A 13 -24.190 -8.742 4.507 1.00 0.21 C ATOM 0 HA PRO A 13 -24.083 -5.872 5.691 1.00 0.23 H new ATOM 0 HB2 PRO A 13 -26.292 -6.781 3.799 1.00 0.30 H new ATOM 0 HB3 PRO A 13 -24.986 -5.663 3.461 1.00 0.30 H new ATOM 0 HG2 PRO A 13 -24.911 -8.234 2.522 1.00 0.26 H new ATOM 0 HG3 PRO A 13 -23.437 -7.400 2.974 1.00 0.26 H new ATOM 0 HD2 PRO A 13 -24.834 -9.616 4.406 1.00 0.21 H new ATOM 0 HD3 PRO A 13 -23.163 -9.105 4.548 1.00 0.21 H new ATOM 196 N GLN A 14 -25.852 -5.204 7.128 1.00 0.82 N ATOM 197 CA GLN A 14 -26.946 -4.655 7.967 1.00 0.88 C ATOM 198 C GLN A 14 -27.167 -3.180 7.633 1.00 1.11 C ATOM 199 O GLN A 14 -27.806 -2.461 8.374 1.00 1.56 O ATOM 200 CB GLN A 14 -26.526 -4.775 9.438 1.00 1.00 C ATOM 201 CG GLN A 14 -26.979 -6.135 9.981 1.00 0.83 C ATOM 202 CD GLN A 14 -28.442 -6.051 10.428 1.00 1.75 C ATOM 203 OE1 GLN A 14 -28.986 -4.984 10.625 1.00 2.65 O ATOM 204 NE2 GLN A 14 -29.114 -7.155 10.603 1.00 2.49 N ATOM 0 H GLN A 14 -24.924 -4.834 7.336 1.00 0.82 H new ATOM 0 HA GLN A 14 -27.868 -5.205 7.781 1.00 0.88 H new ATOM 0 HB2 GLN A 14 -25.444 -4.675 9.529 1.00 1.00 H new ATOM 0 HB3 GLN A 14 -26.971 -3.970 10.023 1.00 1.00 H new ATOM 0 HG2 GLN A 14 -26.867 -6.900 9.213 1.00 0.83 H new ATOM 0 HG3 GLN A 14 -26.349 -6.431 10.820 1.00 0.83 H new ATOM 0 HE21 GLN A 14 -28.665 -8.056 10.440 1.00 2.49 H new ATOM 0 HE22 GLN A 14 -30.088 -7.117 10.903 1.00 2.49 H new ATOM 213 N GLU A 15 -26.630 -2.766 6.510 1.00 0.80 N ATOM 214 CA GLU A 15 -26.791 -1.343 6.091 1.00 1.01 C ATOM 215 C GLU A 15 -27.066 -1.268 4.593 1.00 0.99 C ATOM 216 O GLU A 15 -27.160 -2.278 3.925 1.00 0.89 O ATOM 217 CB GLU A 15 -25.503 -0.544 6.405 1.00 1.05 C ATOM 218 CG GLU A 15 -25.477 -0.196 7.898 1.00 1.90 C ATOM 219 CD GLU A 15 -26.407 0.989 8.160 1.00 2.66 C ATOM 220 OE1 GLU A 15 -25.983 2.089 7.843 1.00 3.11 O ATOM 221 OE2 GLU A 15 -27.489 0.730 8.660 1.00 2.89 O ATOM 0 H GLU A 15 -26.091 -3.350 5.871 1.00 0.80 H new ATOM 0 HA GLU A 15 -27.629 -0.915 6.641 1.00 1.01 H new ATOM 0 HB2 GLU A 15 -24.623 -1.131 6.141 1.00 1.05 H new ATOM 0 HB3 GLU A 15 -25.470 0.366 5.807 1.00 1.05 H new ATOM 0 HG2 GLU A 15 -25.791 -1.056 8.489 1.00 1.90 H new ATOM 0 HG3 GLU A 15 -24.461 0.049 8.208 1.00 1.90 H new ATOM 228 N ASP A 16 -27.190 -0.074 4.091 1.00 1.47 N ATOM 229 CA ASP A 16 -27.462 0.085 2.637 1.00 1.55 C ATOM 230 C ASP A 16 -26.232 -0.225 1.787 1.00 1.24 C ATOM 231 O ASP A 16 -25.164 0.301 2.023 1.00 2.00 O ATOM 232 CB ASP A 16 -27.875 1.540 2.385 1.00 2.28 C ATOM 233 CG ASP A 16 -26.953 2.470 3.177 1.00 5.32 C ATOM 234 OD1 ASP A 16 -25.862 2.016 3.484 1.00 6.74 O ATOM 235 OD2 ASP A 16 -27.390 3.579 3.432 1.00 6.44 O ATOM 0 H ASP A 16 -27.115 0.795 4.620 1.00 1.47 H new ATOM 0 HA ASP A 16 -28.249 -0.615 2.356 1.00 1.55 H new ATOM 0 HB2 ASP A 16 -27.815 1.768 1.321 1.00 2.28 H new ATOM 0 HB3 ASP A 16 -28.911 1.694 2.686 1.00 2.28 H new ATOM 240 N GLY A 17 -26.427 -1.074 0.802 1.00 0.57 N ATOM 241 CA GLY A 17 -25.302 -1.458 -0.103 1.00 0.35 C ATOM 242 C GLY A 17 -23.980 -1.507 0.659 1.00 0.19 C ATOM 243 O GLY A 17 -22.950 -1.118 0.144 1.00 0.38 O ATOM 0 H GLY A 17 -27.321 -1.517 0.589 1.00 0.57 H new ATOM 0 HA2 GLY A 17 -25.505 -2.432 -0.549 1.00 0.35 H new ATOM 0 HA3 GLY A 17 -25.228 -0.742 -0.921 1.00 0.35 H new ATOM 247 N GLU A 18 -24.036 -1.985 1.870 1.00 0.15 N ATOM 248 CA GLU A 18 -22.816 -2.067 2.674 1.00 0.17 C ATOM 249 C GLU A 18 -22.058 -3.355 2.351 1.00 0.16 C ATOM 250 O GLU A 18 -22.500 -4.166 1.562 1.00 0.18 O ATOM 251 CB GLU A 18 -23.280 -2.005 4.133 1.00 0.34 C ATOM 252 CG GLU A 18 -22.825 -3.226 4.895 1.00 0.29 C ATOM 253 CD GLU A 18 -23.222 -3.106 6.357 1.00 0.40 C ATOM 254 OE1 GLU A 18 -24.361 -3.404 6.637 1.00 0.55 O ATOM 255 OE2 GLU A 18 -22.353 -2.708 7.113 1.00 1.22 O ATOM 0 H GLU A 18 -24.884 -2.320 2.327 1.00 0.15 H new ATOM 0 HA GLU A 18 -22.119 -1.255 2.466 1.00 0.17 H new ATOM 0 HB2 GLU A 18 -22.884 -1.107 4.607 1.00 0.34 H new ATOM 0 HB3 GLU A 18 -24.367 -1.932 4.170 1.00 0.34 H new ATOM 0 HG2 GLU A 18 -23.270 -4.122 4.461 1.00 0.29 H new ATOM 0 HG3 GLU A 18 -21.744 -3.335 4.811 1.00 0.29 H new ATOM 262 N LEU A 19 -20.936 -3.500 2.971 1.00 0.18 N ATOM 263 CA LEU A 19 -20.101 -4.695 2.752 1.00 0.21 C ATOM 264 C LEU A 19 -20.687 -5.939 3.426 1.00 0.21 C ATOM 265 O LEU A 19 -21.586 -5.850 4.239 1.00 0.22 O ATOM 266 CB LEU A 19 -18.741 -4.386 3.379 1.00 0.26 C ATOM 267 CG LEU A 19 -17.650 -4.997 2.530 1.00 0.29 C ATOM 268 CD1 LEU A 19 -17.329 -4.066 1.366 1.00 0.23 C ATOM 269 CD2 LEU A 19 -16.397 -5.190 3.383 1.00 0.35 C ATOM 0 H LEU A 19 -20.554 -2.827 3.635 1.00 0.18 H new ATOM 0 HA LEU A 19 -20.037 -4.909 1.685 1.00 0.21 H new ATOM 0 HB2 LEU A 19 -18.599 -3.308 3.454 1.00 0.26 H new ATOM 0 HB3 LEU A 19 -18.696 -4.785 4.392 1.00 0.26 H new ATOM 0 HG LEU A 19 -17.985 -5.960 2.144 1.00 0.29 H new ATOM 0 HD11 LEU A 19 -16.542 -4.507 0.754 1.00 0.23 H new ATOM 0 HD12 LEU A 19 -18.223 -3.921 0.759 1.00 0.23 H new ATOM 0 HD13 LEU A 19 -16.992 -3.104 1.752 1.00 0.23 H new ATOM 0 HD21 LEU A 19 -15.607 -5.631 2.775 1.00 0.35 H new ATOM 0 HD22 LEU A 19 -16.065 -4.225 3.765 1.00 0.35 H new ATOM 0 HD23 LEU A 19 -16.624 -5.852 4.218 1.00 0.35 H new ATOM 281 N GLY A 20 -20.152 -7.080 3.068 1.00 0.19 N ATOM 282 CA GLY A 20 -20.643 -8.365 3.660 1.00 0.15 C ATOM 283 C GLY A 20 -19.554 -9.442 3.590 1.00 0.13 C ATOM 284 O GLY A 20 -18.986 -9.660 2.544 1.00 0.24 O ATOM 0 H GLY A 20 -19.396 -7.178 2.391 1.00 0.19 H new ATOM 0 HA2 GLY A 20 -20.938 -8.205 4.697 1.00 0.15 H new ATOM 0 HA3 GLY A 20 -21.531 -8.702 3.125 1.00 0.15 H new ATOM 288 N PHE A 21 -19.275 -10.114 4.688 1.00 0.19 N ATOM 289 CA PHE A 21 -18.215 -11.158 4.610 1.00 0.20 C ATOM 290 C PHE A 21 -18.345 -12.227 5.697 1.00 0.18 C ATOM 291 O PHE A 21 -19.316 -12.268 6.426 1.00 0.17 O ATOM 292 CB PHE A 21 -16.854 -10.486 4.750 1.00 0.20 C ATOM 293 CG PHE A 21 -16.899 -9.445 5.856 1.00 0.17 C ATOM 294 CD1 PHE A 21 -17.305 -8.171 5.565 1.00 0.18 C ATOM 295 CD2 PHE A 21 -16.447 -9.741 7.130 1.00 0.26 C ATOM 296 CE1 PHE A 21 -17.254 -7.184 6.524 1.00 0.23 C ATOM 297 CE2 PHE A 21 -16.383 -8.751 8.098 1.00 0.20 C ATOM 298 CZ PHE A 21 -16.795 -7.472 7.793 1.00 0.12 C ATOM 0 H PHE A 21 -19.719 -9.988 5.597 1.00 0.19 H new ATOM 0 HA PHE A 21 -18.324 -11.657 3.647 1.00 0.20 H new ATOM 0 HB2 PHE A 21 -16.092 -11.233 4.973 1.00 0.20 H new ATOM 0 HB3 PHE A 21 -16.573 -10.015 3.808 1.00 0.20 H new ATOM 0 HD1 PHE A 21 -17.668 -7.938 4.575 1.00 0.18 H new ATOM 0 HD2 PHE A 21 -16.143 -10.749 7.371 1.00 0.26 H new ATOM 0 HE1 PHE A 21 -17.574 -6.181 6.282 1.00 0.23 H new ATOM 0 HE2 PHE A 21 -16.012 -8.981 9.086 1.00 0.20 H new ATOM 0 HZ PHE A 21 -16.759 -6.697 8.545 1.00 0.12 H new ATOM 308 N ARG A 22 -17.344 -13.076 5.772 1.00 0.19 N ATOM 309 CA ARG A 22 -17.359 -14.162 6.789 1.00 0.18 C ATOM 310 C ARG A 22 -15.989 -14.364 7.437 1.00 0.14 C ATOM 311 O ARG A 22 -15.005 -14.481 6.739 1.00 0.15 O ATOM 312 CB ARG A 22 -17.729 -15.467 6.072 1.00 0.20 C ATOM 313 CG ARG A 22 -19.245 -15.532 5.873 1.00 0.18 C ATOM 314 CD ARG A 22 -19.861 -16.329 7.022 1.00 0.26 C ATOM 315 NE ARG A 22 -19.432 -17.752 6.913 1.00 0.50 N ATOM 316 CZ ARG A 22 -19.343 -18.477 7.995 1.00 2.53 C ATOM 317 NH1 ARG A 22 -18.836 -17.940 9.074 1.00 4.30 N ATOM 318 NH2 ARG A 22 -19.767 -19.708 7.965 1.00 3.09 N ATOM 0 H ARG A 22 -16.521 -13.058 5.170 1.00 0.19 H new ATOM 0 HA ARG A 22 -18.072 -13.891 7.568 1.00 0.18 H new ATOM 0 HB2 ARG A 22 -17.223 -15.520 5.108 1.00 0.20 H new ATOM 0 HB3 ARG A 22 -17.392 -16.323 6.657 1.00 0.20 H new ATOM 0 HG2 ARG A 22 -19.665 -14.527 5.844 1.00 0.18 H new ATOM 0 HG3 ARG A 22 -19.480 -16.003 4.919 1.00 0.18 H new ATOM 0 HD2 ARG A 22 -19.546 -15.914 7.979 1.00 0.26 H new ATOM 0 HD3 ARG A 22 -20.948 -16.260 6.987 1.00 0.26 H new ATOM 0 HE ARG A 22 -19.210 -18.155 6.003 1.00 0.50 H new ATOM 0 HH11 ARG A 22 -18.518 -16.971 9.060 1.00 4.30 H new ATOM 0 HH12 ARG A 22 -18.758 -18.490 9.929 1.00 4.30 H new ATOM 0 HH21 ARG A 22 -20.161 -20.091 7.106 1.00 3.09 H new ATOM 0 HH22 ARG A 22 -19.705 -20.289 8.801 1.00 3.09 H new ATOM 332 N ARG A 23 -15.967 -14.366 8.761 1.00 0.11 N ATOM 333 CA ARG A 23 -14.698 -14.558 9.524 1.00 0.08 C ATOM 334 C ARG A 23 -13.528 -15.045 8.681 1.00 0.07 C ATOM 335 O ARG A 23 -13.644 -15.963 7.894 1.00 0.11 O ATOM 336 CB ARG A 23 -14.976 -15.636 10.570 1.00 0.08 C ATOM 337 CG ARG A 23 -14.520 -15.130 11.922 1.00 0.10 C ATOM 338 CD ARG A 23 -14.837 -16.174 12.997 1.00 0.20 C ATOM 339 NE ARG A 23 -15.520 -17.340 12.365 1.00 2.60 N ATOM 340 CZ ARG A 23 -14.909 -18.491 12.302 1.00 2.88 C ATOM 341 NH1 ARG A 23 -13.608 -18.514 12.186 1.00 3.10 N ATOM 342 NH2 ARG A 23 -15.619 -19.582 12.363 1.00 2.97 N ATOM 0 H ARG A 23 -16.794 -14.240 9.344 1.00 0.11 H new ATOM 0 HA ARG A 23 -14.414 -13.589 9.935 1.00 0.08 H new ATOM 0 HB2 ARG A 23 -16.040 -15.873 10.595 1.00 0.08 H new ATOM 0 HB3 ARG A 23 -14.450 -16.556 10.314 1.00 0.08 H new ATOM 0 HG2 ARG A 23 -13.449 -14.927 11.903 1.00 0.10 H new ATOM 0 HG3 ARG A 23 -15.019 -14.190 12.156 1.00 0.10 H new ATOM 0 HD2 ARG A 23 -13.919 -16.498 13.488 1.00 0.20 H new ATOM 0 HD3 ARG A 23 -15.474 -15.738 13.767 1.00 0.20 H new ATOM 0 HE ARG A 23 -16.461 -17.238 11.984 1.00 2.60 H new ATOM 0 HH11 ARG A 23 -13.084 -17.640 12.146 1.00 3.10 H new ATOM 0 HH12 ARG A 23 -13.116 -19.406 12.136 1.00 3.10 H new ATOM 0 HH21 ARG A 23 -16.633 -19.526 12.458 1.00 2.97 H new ATOM 0 HH22 ARG A 23 -15.161 -20.492 12.315 1.00 2.97 H new ATOM 356 N GLY A 24 -12.415 -14.427 8.907 1.00 0.07 N ATOM 357 CA GLY A 24 -11.186 -14.803 8.150 1.00 0.12 C ATOM 358 C GLY A 24 -11.136 -14.007 6.856 1.00 0.09 C ATOM 359 O GLY A 24 -10.093 -13.864 6.246 1.00 0.16 O ATOM 0 H GLY A 24 -12.294 -13.674 9.584 1.00 0.07 H new ATOM 0 HA2 GLY A 24 -10.298 -14.602 8.750 1.00 0.12 H new ATOM 0 HA3 GLY A 24 -11.189 -15.871 7.934 1.00 0.12 H new ATOM 363 N ASP A 25 -12.271 -13.499 6.461 1.00 0.03 N ATOM 364 CA ASP A 25 -12.311 -12.710 5.213 1.00 0.05 C ATOM 365 C ASP A 25 -11.487 -11.450 5.405 1.00 0.07 C ATOM 366 O ASP A 25 -11.790 -10.634 6.251 1.00 0.09 O ATOM 367 CB ASP A 25 -13.766 -12.330 4.939 1.00 0.06 C ATOM 368 CG ASP A 25 -14.367 -13.316 3.935 1.00 0.03 C ATOM 369 OD1 ASP A 25 -14.063 -13.150 2.765 1.00 0.79 O ATOM 370 OD2 ASP A 25 -15.099 -14.179 4.394 1.00 0.81 O ATOM 0 H ASP A 25 -13.162 -13.598 6.948 1.00 0.03 H new ATOM 0 HA ASP A 25 -11.909 -13.284 4.378 1.00 0.05 H new ATOM 0 HB2 ASP A 25 -14.338 -12.344 5.867 1.00 0.06 H new ATOM 0 HB3 ASP A 25 -13.821 -11.315 4.546 1.00 0.06 H new ATOM 375 N PHE A 26 -10.467 -11.304 4.618 1.00 0.17 N ATOM 376 CA PHE A 26 -9.625 -10.112 4.757 1.00 0.22 C ATOM 377 C PHE A 26 -10.281 -8.864 4.199 1.00 0.18 C ATOM 378 O PHE A 26 -10.409 -8.708 3.000 1.00 0.22 O ATOM 379 CB PHE A 26 -8.358 -10.357 3.959 1.00 0.35 C ATOM 380 CG PHE A 26 -7.557 -11.500 4.581 1.00 0.36 C ATOM 381 CD1 PHE A 26 -7.923 -12.814 4.361 1.00 0.65 C ATOM 382 CD2 PHE A 26 -6.444 -11.231 5.357 1.00 0.95 C ATOM 383 CE1 PHE A 26 -7.185 -13.846 4.905 1.00 1.10 C ATOM 384 CE2 PHE A 26 -5.706 -12.262 5.900 1.00 1.32 C ATOM 385 CZ PHE A 26 -6.075 -13.570 5.675 1.00 1.33 C ATOM 0 H PHE A 26 -10.186 -11.960 3.889 1.00 0.17 H new ATOM 0 HA PHE A 26 -9.440 -9.949 5.819 1.00 0.22 H new ATOM 0 HB2 PHE A 26 -8.611 -10.599 2.927 1.00 0.35 H new ATOM 0 HB3 PHE A 26 -7.753 -9.450 3.935 1.00 0.35 H new ATOM 0 HD1 PHE A 26 -8.792 -13.035 3.759 1.00 0.65 H new ATOM 0 HD2 PHE A 26 -6.151 -10.208 5.539 1.00 0.95 H new ATOM 0 HE1 PHE A 26 -7.477 -14.870 4.727 1.00 1.10 H new ATOM 0 HE2 PHE A 26 -4.837 -12.043 6.503 1.00 1.32 H new ATOM 0 HZ PHE A 26 -5.497 -14.377 6.100 1.00 1.33 H new ATOM 395 N ILE A 27 -10.696 -7.997 5.075 1.00 0.13 N ATOM 396 CA ILE A 27 -11.330 -6.765 4.597 1.00 0.10 C ATOM 397 C ILE A 27 -10.217 -5.840 4.131 1.00 0.06 C ATOM 398 O ILE A 27 -9.156 -5.837 4.725 1.00 0.10 O ATOM 399 CB ILE A 27 -12.108 -6.080 5.768 1.00 0.12 C ATOM 400 CG1 ILE A 27 -13.536 -5.911 5.380 1.00 0.15 C ATOM 401 CG2 ILE A 27 -11.543 -4.669 6.033 1.00 0.15 C ATOM 402 CD1 ILE A 27 -14.187 -7.281 5.534 1.00 0.29 C ATOM 0 H ILE A 27 -10.621 -8.095 6.087 1.00 0.13 H new ATOM 0 HA ILE A 27 -12.030 -6.981 3.790 1.00 0.10 H new ATOM 0 HB ILE A 27 -12.007 -6.705 6.655 1.00 0.12 H new ATOM 0 HG12 ILE A 27 -14.027 -5.174 6.015 1.00 0.15 H new ATOM 0 HG13 ILE A 27 -13.620 -5.554 4.354 1.00 0.15 H new ATOM 0 HG21 ILE A 27 -12.094 -4.204 6.851 1.00 0.15 H new ATOM 0 HG22 ILE A 27 -10.489 -4.744 6.302 1.00 0.15 H new ATOM 0 HG23 ILE A 27 -11.646 -4.061 5.134 1.00 0.15 H new ATOM 0 HD11 ILE A 27 -15.240 -7.216 5.261 1.00 0.29 H new ATOM 0 HD12 ILE A 27 -13.687 -7.997 4.882 1.00 0.29 H new ATOM 0 HD13 ILE A 27 -14.100 -7.611 6.569 1.00 0.29 H new ATOM 414 N HIS A 28 -10.436 -5.094 3.085 1.00 0.06 N ATOM 415 CA HIS A 28 -9.352 -4.191 2.645 1.00 0.04 C ATOM 416 C HIS A 28 -9.656 -2.802 3.125 1.00 0.07 C ATOM 417 O HIS A 28 -10.345 -2.060 2.467 1.00 0.16 O ATOM 418 CB HIS A 28 -9.252 -4.084 1.138 1.00 0.16 C ATOM 419 CG HIS A 28 -8.122 -3.084 0.912 1.00 0.45 C ATOM 420 ND1 HIS A 28 -8.229 -1.954 0.341 1.00 0.98 N ATOM 421 CD2 HIS A 28 -6.841 -3.113 1.413 1.00 0.38 C ATOM 422 CE1 HIS A 28 -7.134 -1.289 0.461 1.00 1.26 C ATOM 423 NE2 HIS A 28 -6.212 -1.967 1.123 1.00 0.90 N ATOM 0 H HIS A 28 -11.294 -5.072 2.533 1.00 0.06 H new ATOM 0 HA HIS A 28 -8.426 -4.601 3.047 1.00 0.04 H new ATOM 0 HB2 HIS A 28 -9.028 -5.049 0.684 1.00 0.16 H new ATOM 0 HB3 HIS A 28 -10.187 -3.735 0.700 1.00 0.16 H new ATOM 0 HD2 HIS A 28 -6.407 -3.938 1.959 1.00 0.38 H new ATOM 0 HE1 HIS A 28 -6.986 -0.294 0.067 1.00 1.26 H new ATOM 0 HE2 HIS A 28 -5.259 -1.687 1.355 1.00 0.90 H new ATOM 431 N VAL A 29 -9.110 -2.462 4.231 1.00 0.14 N ATOM 432 CA VAL A 29 -9.381 -1.101 4.755 1.00 0.13 C ATOM 433 C VAL A 29 -8.804 -0.070 3.812 1.00 0.17 C ATOM 434 O VAL A 29 -7.608 0.113 3.734 1.00 0.44 O ATOM 435 CB VAL A 29 -8.745 -0.946 6.140 1.00 0.30 C ATOM 436 CG1 VAL A 29 -9.352 0.276 6.831 1.00 0.40 C ATOM 437 CG2 VAL A 29 -9.048 -2.191 6.971 1.00 0.32 C ATOM 0 H VAL A 29 -8.495 -3.047 4.797 1.00 0.14 H new ATOM 0 HA VAL A 29 -10.458 -0.953 4.835 1.00 0.13 H new ATOM 0 HB VAL A 29 -7.667 -0.821 6.042 1.00 0.30 H new ATOM 0 HG11 VAL A 29 -8.906 0.395 7.818 1.00 0.40 H new ATOM 0 HG12 VAL A 29 -9.155 1.167 6.234 1.00 0.40 H new ATOM 0 HG13 VAL A 29 -10.428 0.139 6.934 1.00 0.40 H new ATOM 0 HG21 VAL A 29 -8.598 -2.088 7.958 1.00 0.32 H new ATOM 0 HG22 VAL A 29 -10.127 -2.306 7.074 1.00 0.32 H new ATOM 0 HG23 VAL A 29 -8.635 -3.069 6.474 1.00 0.32 H new ATOM 447 N MET A 30 -9.676 0.575 3.101 1.00 0.30 N ATOM 448 CA MET A 30 -9.215 1.607 2.143 1.00 0.42 C ATOM 449 C MET A 30 -9.115 2.967 2.816 1.00 0.43 C ATOM 450 O MET A 30 -8.337 3.806 2.402 1.00 0.48 O ATOM 451 CB MET A 30 -10.228 1.694 0.995 1.00 0.49 C ATOM 452 CG MET A 30 -9.612 2.490 -0.161 1.00 0.78 C ATOM 453 SD MET A 30 -9.009 1.555 -1.590 1.00 2.35 S ATOM 454 CE MET A 30 -10.603 1.342 -2.422 1.00 0.96 C ATOM 0 H MET A 30 -10.685 0.433 3.141 1.00 0.30 H new ATOM 0 HA MET A 30 -8.228 1.330 1.772 1.00 0.42 H new ATOM 0 HB2 MET A 30 -10.501 0.694 0.659 1.00 0.49 H new ATOM 0 HB3 MET A 30 -11.143 2.176 1.338 1.00 0.49 H new ATOM 0 HG2 MET A 30 -10.358 3.202 -0.515 1.00 0.78 H new ATOM 0 HG3 MET A 30 -8.780 3.071 0.236 1.00 0.78 H new ATOM 0 HE1 MET A 30 -10.459 0.780 -3.345 1.00 0.96 H new ATOM 0 HE2 MET A 30 -11.285 0.798 -1.768 1.00 0.96 H new ATOM 0 HE3 MET A 30 -11.026 2.319 -2.654 1.00 0.96 H new ATOM 464 N ASP A 31 -9.887 3.174 3.847 1.00 0.41 N ATOM 465 CA ASP A 31 -9.803 4.495 4.517 1.00 0.42 C ATOM 466 C ASP A 31 -10.607 4.521 5.802 1.00 0.38 C ATOM 467 O ASP A 31 -11.821 4.534 5.778 1.00 0.32 O ATOM 468 CB ASP A 31 -10.380 5.550 3.568 1.00 0.45 C ATOM 469 CG ASP A 31 -10.594 6.854 4.338 1.00 0.72 C ATOM 470 OD1 ASP A 31 -9.590 7.500 4.597 1.00 1.60 O ATOM 471 OD2 ASP A 31 -11.747 7.129 4.628 1.00 1.00 O ATOM 0 H ASP A 31 -10.551 2.508 4.242 1.00 0.41 H new ATOM 0 HA ASP A 31 -8.759 4.695 4.759 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -9.701 5.715 2.732 1.00 0.45 H new ATOM 0 HB3 ASP A 31 -11.324 5.202 3.148 1.00 0.45 H new ATOM 476 N ASN A 32 -9.921 4.541 6.904 1.00 0.49 N ATOM 477 CA ASN A 32 -10.653 4.566 8.186 1.00 0.47 C ATOM 478 C ASN A 32 -11.481 5.843 8.267 1.00 0.35 C ATOM 479 O ASN A 32 -10.964 6.894 8.594 1.00 0.43 O ATOM 480 CB ASN A 32 -9.637 4.546 9.332 1.00 0.58 C ATOM 481 CG ASN A 32 -8.497 5.512 9.008 1.00 0.67 C ATOM 482 OD1 ASN A 32 -8.644 6.716 9.091 1.00 1.72 O ATOM 483 ND2 ASN A 32 -7.345 5.028 8.633 1.00 0.90 N ATOM 0 H ASN A 32 -8.903 4.541 6.971 1.00 0.49 H new ATOM 0 HA ASN A 32 -11.312 3.701 8.258 1.00 0.47 H new ATOM 0 HB2 ASN A 32 -10.119 4.833 10.267 1.00 0.58 H new ATOM 0 HB3 ASN A 32 -9.247 3.538 9.471 1.00 0.58 H new ATOM 0 HD21 ASN A 32 -6.575 5.659 8.412 1.00 0.90 H new ATOM 0 HD22 ASN A 32 -7.215 4.019 8.561 1.00 0.90 H new ATOM 490 N SER A 33 -12.751 5.733 7.986 1.00 0.30 N ATOM 491 CA SER A 33 -13.602 6.944 8.045 1.00 0.30 C ATOM 492 C SER A 33 -14.220 7.114 9.419 1.00 0.35 C ATOM 493 O SER A 33 -13.913 8.046 10.133 1.00 0.57 O ATOM 494 CB SER A 33 -14.722 6.805 7.005 1.00 0.35 C ATOM 495 OG SER A 33 -15.307 8.097 6.946 1.00 1.13 O ATOM 0 H SER A 33 -13.226 4.870 7.723 1.00 0.30 H new ATOM 0 HA SER A 33 -12.984 7.818 7.838 1.00 0.30 H new ATOM 0 HB2 SER A 33 -14.329 6.502 6.035 1.00 0.35 H new ATOM 0 HB3 SER A 33 -15.451 6.051 7.303 1.00 0.35 H new ATOM 0 HG SER A 33 -16.039 8.095 6.295 1.00 1.13 H new ATOM 501 N ASP A 34 -15.081 6.210 9.760 1.00 0.26 N ATOM 502 CA ASP A 34 -15.733 6.298 11.080 1.00 0.29 C ATOM 503 C ASP A 34 -14.924 5.541 12.135 1.00 0.25 C ATOM 504 O ASP A 34 -14.102 4.711 11.817 1.00 0.20 O ATOM 505 CB ASP A 34 -17.107 5.634 10.975 1.00 0.36 C ATOM 506 CG ASP A 34 -18.145 6.682 10.571 1.00 0.62 C ATOM 507 OD1 ASP A 34 -18.146 7.719 11.214 1.00 0.94 O ATOM 508 OD2 ASP A 34 -18.876 6.390 9.640 1.00 2.35 O ATOM 0 H ASP A 34 -15.360 5.417 9.183 1.00 0.26 H new ATOM 0 HA ASP A 34 -15.810 7.346 11.370 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -17.080 4.830 10.240 1.00 0.36 H new ATOM 0 HB3 ASP A 34 -17.380 5.184 11.929 1.00 0.36 H new ATOM 513 N PRO A 35 -15.149 5.865 13.380 1.00 0.29 N ATOM 514 CA PRO A 35 -14.440 5.203 14.485 1.00 0.28 C ATOM 515 C PRO A 35 -14.800 3.718 14.558 1.00 0.26 C ATOM 516 O PRO A 35 -13.967 2.859 14.348 1.00 0.27 O ATOM 517 CB PRO A 35 -14.981 5.904 15.744 1.00 0.35 C ATOM 518 CG PRO A 35 -16.205 6.742 15.298 1.00 0.38 C ATOM 519 CD PRO A 35 -16.067 6.947 13.799 1.00 0.35 C ATOM 0 HA PRO A 35 -13.358 5.269 14.369 1.00 0.28 H new ATOM 0 HB2 PRO A 35 -15.268 5.173 16.500 1.00 0.35 H new ATOM 0 HB3 PRO A 35 -14.218 6.542 16.190 1.00 0.35 H new ATOM 0 HG2 PRO A 35 -17.135 6.225 15.534 1.00 0.38 H new ATOM 0 HG3 PRO A 35 -16.230 7.699 15.819 1.00 0.38 H new ATOM 0 HD2 PRO A 35 -17.030 6.873 13.294 1.00 0.35 H new ATOM 0 HD3 PRO A 35 -15.660 7.931 13.565 1.00 0.35 H new ATOM 527 N ASN A 36 -16.045 3.455 14.858 1.00 0.25 N ATOM 528 CA ASN A 36 -16.506 2.043 14.958 1.00 0.24 C ATOM 529 C ASN A 36 -16.856 1.469 13.588 1.00 0.15 C ATOM 530 O ASN A 36 -17.100 0.286 13.460 1.00 0.21 O ATOM 531 CB ASN A 36 -17.763 2.009 15.832 1.00 0.35 C ATOM 532 CG ASN A 36 -18.438 0.643 15.683 1.00 0.56 C ATOM 533 OD1 ASN A 36 -19.631 0.547 15.479 1.00 0.92 O ATOM 534 ND2 ASN A 36 -17.708 -0.436 15.775 1.00 0.47 N ATOM 0 H ASN A 36 -16.761 4.159 15.038 1.00 0.25 H new ATOM 0 HA ASN A 36 -15.701 1.445 15.386 1.00 0.24 H new ATOM 0 HB2 ASN A 36 -17.501 2.188 16.875 1.00 0.35 H new ATOM 0 HB3 ASN A 36 -18.449 2.802 15.535 1.00 0.35 H new ATOM 0 HD21 ASN A 36 -18.141 -1.354 15.676 1.00 0.47 H new ATOM 0 HD22 ASN A 36 -16.705 -0.360 15.946 1.00 0.47 H new ATOM 541 N TRP A 37 -16.878 2.321 12.599 1.00 0.29 N ATOM 542 CA TRP A 37 -17.206 1.873 11.236 1.00 0.22 C ATOM 543 C TRP A 37 -16.103 2.320 10.297 1.00 0.13 C ATOM 544 O TRP A 37 -15.406 3.265 10.576 1.00 0.16 O ATOM 545 CB TRP A 37 -18.534 2.498 10.820 1.00 0.26 C ATOM 546 CG TRP A 37 -19.653 1.618 11.365 1.00 0.31 C ATOM 547 CD1 TRP A 37 -20.022 1.600 12.650 1.00 0.36 C ATOM 548 CD2 TRP A 37 -20.400 0.770 10.661 1.00 0.29 C ATOM 549 NE1 TRP A 37 -21.023 0.720 12.678 1.00 0.39 N ATOM 550 CE2 TRP A 37 -21.324 0.153 11.487 1.00 0.34 C ATOM 551 CE3 TRP A 37 -20.345 0.437 9.326 1.00 0.24 C ATOM 552 CZ2 TRP A 37 -22.194 -0.786 10.976 1.00 0.34 C ATOM 553 CZ3 TRP A 37 -21.217 -0.509 8.816 1.00 0.23 C ATOM 554 CH2 TRP A 37 -22.140 -1.117 9.642 1.00 0.28 C ATOM 0 H TRP A 37 -16.679 3.317 12.689 1.00 0.29 H new ATOM 0 HA TRP A 37 -17.292 0.787 11.199 1.00 0.22 H new ATOM 0 HB2 TRP A 37 -18.619 3.511 11.213 1.00 0.26 H new ATOM 0 HB3 TRP A 37 -18.599 2.570 9.734 1.00 0.26 H new ATOM 0 HD1 TRP A 37 -19.607 2.165 13.471 1.00 0.36 H new ATOM 0 HE1 TRP A 37 -21.526 0.491 13.535 1.00 0.39 H new ATOM 0 HE3 TRP A 37 -19.623 0.913 8.679 1.00 0.24 H new ATOM 0 HZ2 TRP A 37 -22.917 -1.261 11.622 1.00 0.34 H new ATOM 0 HZ3 TRP A 37 -21.175 -0.772 7.769 1.00 0.23 H new ATOM 0 HH2 TRP A 37 -22.821 -1.853 9.241 1.00 0.28 H new ATOM 565 N TRP A 38 -15.968 1.641 9.214 1.00 0.29 N ATOM 566 CA TRP A 38 -14.901 2.016 8.239 1.00 0.22 C ATOM 567 C TRP A 38 -15.291 1.680 6.801 1.00 0.17 C ATOM 568 O TRP A 38 -16.370 1.185 6.559 1.00 0.20 O ATOM 569 CB TRP A 38 -13.671 1.183 8.584 1.00 0.23 C ATOM 570 CG TRP A 38 -12.758 1.857 9.629 1.00 0.24 C ATOM 571 CD1 TRP A 38 -12.824 3.128 10.118 1.00 0.30 C ATOM 572 CD2 TRP A 38 -11.720 1.237 10.154 1.00 0.30 C ATOM 573 NE1 TRP A 38 -11.770 3.182 10.947 1.00 0.39 N ATOM 574 CE2 TRP A 38 -11.026 2.049 11.020 1.00 0.43 C ATOM 575 CE3 TRP A 38 -11.309 -0.052 9.901 1.00 0.29 C ATOM 576 CZ2 TRP A 38 -9.887 1.564 11.638 1.00 0.57 C ATOM 577 CZ3 TRP A 38 -10.173 -0.536 10.516 1.00 0.43 C ATOM 578 CH2 TRP A 38 -9.463 0.270 11.385 1.00 0.58 C ATOM 0 H TRP A 38 -16.542 0.841 8.949 1.00 0.29 H new ATOM 0 HA TRP A 38 -14.728 3.090 8.305 1.00 0.22 H new ATOM 0 HB2 TRP A 38 -13.991 0.212 8.962 1.00 0.23 H new ATOM 0 HB3 TRP A 38 -13.098 0.998 7.675 1.00 0.23 H new ATOM 0 HD1 TRP A 38 -13.545 3.900 9.894 1.00 0.30 H new ATOM 0 HE1 TRP A 38 -11.543 4.018 11.486 1.00 0.39 H new ATOM 0 HE3 TRP A 38 -11.872 -0.680 9.226 1.00 0.29 H new ATOM 0 HZ2 TRP A 38 -9.330 2.193 12.316 1.00 0.57 H new ATOM 0 HZ3 TRP A 38 -9.839 -1.544 10.318 1.00 0.43 H new ATOM 0 HH2 TRP A 38 -8.575 -0.110 11.868 1.00 0.58 H new ATOM 589 N LYS A 39 -14.396 1.967 5.877 1.00 0.13 N ATOM 590 CA LYS A 39 -14.678 1.673 4.444 1.00 0.15 C ATOM 591 C LYS A 39 -13.580 0.755 3.931 1.00 0.12 C ATOM 592 O LYS A 39 -12.409 1.049 4.079 1.00 0.09 O ATOM 593 CB LYS A 39 -14.659 2.986 3.644 1.00 0.19 C ATOM 594 CG LYS A 39 -14.543 2.660 2.149 1.00 0.22 C ATOM 595 CD LYS A 39 -15.312 3.702 1.329 1.00 0.30 C ATOM 596 CE LYS A 39 -16.778 3.270 1.201 1.00 0.32 C ATOM 597 NZ LYS A 39 -17.529 4.236 0.350 1.00 0.65 N ATOM 0 H LYS A 39 -13.487 2.391 6.061 1.00 0.13 H new ATOM 0 HA LYS A 39 -15.654 1.200 4.334 1.00 0.15 H new ATOM 0 HB2 LYS A 39 -15.568 3.556 3.835 1.00 0.19 H new ATOM 0 HB3 LYS A 39 -13.821 3.607 3.960 1.00 0.19 H new ATOM 0 HG2 LYS A 39 -13.495 2.650 1.850 1.00 0.22 H new ATOM 0 HG3 LYS A 39 -14.940 1.664 1.953 1.00 0.22 H new ATOM 0 HD2 LYS A 39 -15.250 4.678 1.811 1.00 0.30 H new ATOM 0 HD3 LYS A 39 -14.864 3.805 0.341 1.00 0.30 H new ATOM 0 HE2 LYS A 39 -16.834 2.272 0.766 1.00 0.32 H new ATOM 0 HE3 LYS A 39 -17.235 3.213 2.189 1.00 0.32 H new ATOM 0 HZ1 LYS A 39 -18.520 3.932 0.271 1.00 0.65 H new ATOM 0 HZ2 LYS A 39 -17.490 5.182 0.781 1.00 0.65 H new ATOM 0 HZ3 LYS A 39 -17.101 4.270 -0.597 1.00 0.65 H new ATOM 611 N GLY A 40 -13.959 -0.336 3.333 1.00 0.14 N ATOM 612 CA GLY A 40 -12.933 -1.254 2.829 1.00 0.14 C ATOM 613 C GLY A 40 -13.521 -2.057 1.697 1.00 0.16 C ATOM 614 O GLY A 40 -14.373 -1.577 0.978 1.00 0.19 O ATOM 0 H GLY A 40 -14.926 -0.621 3.177 1.00 0.14 H new ATOM 0 HA2 GLY A 40 -12.062 -0.696 2.485 1.00 0.14 H new ATOM 0 HA3 GLY A 40 -12.593 -1.916 3.626 1.00 0.14 H new ATOM 618 N ALA A 41 -13.074 -3.260 1.548 1.00 0.17 N ATOM 619 CA ALA A 41 -13.636 -4.056 0.450 1.00 0.21 C ATOM 620 C ALA A 41 -13.340 -5.545 0.558 1.00 0.30 C ATOM 621 O ALA A 41 -12.409 -5.963 1.219 1.00 0.58 O ATOM 622 CB ALA A 41 -13.020 -3.503 -0.823 1.00 0.21 C ATOM 0 H ALA A 41 -12.364 -3.714 2.122 1.00 0.17 H new ATOM 0 HA ALA A 41 -14.723 -3.976 0.471 1.00 0.21 H new ATOM 0 HB1 ALA A 41 -13.400 -4.057 -1.682 1.00 0.21 H new ATOM 0 HB2 ALA A 41 -13.281 -2.450 -0.926 1.00 0.21 H new ATOM 0 HB3 ALA A 41 -11.936 -3.605 -0.777 1.00 0.21 H new ATOM 628 N CYS A 42 -14.152 -6.311 -0.123 1.00 0.31 N ATOM 629 CA CYS A 42 -13.982 -7.785 -0.106 1.00 0.50 C ATOM 630 C CYS A 42 -14.924 -8.459 -1.109 1.00 0.85 C ATOM 631 O CYS A 42 -15.679 -7.802 -1.792 1.00 2.53 O ATOM 632 CB CYS A 42 -14.319 -8.282 1.295 1.00 0.16 C ATOM 633 SG CYS A 42 -14.237 -10.067 1.589 1.00 0.19 S ATOM 0 H CYS A 42 -14.928 -5.972 -0.692 1.00 0.31 H new ATOM 0 HA CYS A 42 -12.956 -8.031 -0.379 1.00 0.50 H new ATOM 0 HB2 CYS A 42 -13.643 -7.794 1.997 1.00 0.16 H new ATOM 0 HB3 CYS A 42 -15.327 -7.947 1.538 1.00 0.16 H new ATOM 0 HG CYS A 42 -13.528 -10.299 2.654 1.00 0.19 H new ATOM 639 N HIS A 43 -14.869 -9.762 -1.155 1.00 0.91 N ATOM 640 CA HIS A 43 -15.740 -10.523 -2.098 1.00 0.74 C ATOM 641 C HIS A 43 -15.854 -9.819 -3.454 1.00 0.85 C ATOM 642 O HIS A 43 -16.792 -10.043 -4.197 1.00 1.55 O ATOM 643 CB HIS A 43 -17.146 -10.708 -1.498 1.00 0.53 C ATOM 644 CG HIS A 43 -17.585 -9.454 -0.747 1.00 0.59 C ATOM 645 ND1 HIS A 43 -18.257 -8.501 -1.244 1.00 0.63 N ATOM 646 CD2 HIS A 43 -17.402 -9.107 0.576 1.00 0.69 C ATOM 647 CE1 HIS A 43 -18.502 -7.612 -0.356 1.00 0.76 C ATOM 648 NE2 HIS A 43 -17.992 -7.929 0.821 1.00 0.79 N ATOM 0 H HIS A 43 -14.255 -10.336 -0.577 1.00 0.91 H new ATOM 0 HA HIS A 43 -15.277 -11.497 -2.255 1.00 0.74 H new ATOM 0 HB2 HIS A 43 -17.859 -10.930 -2.292 1.00 0.53 H new ATOM 0 HB3 HIS A 43 -17.148 -11.562 -0.821 1.00 0.53 H new ATOM 0 HD1 HIS A 43 -18.560 -8.450 -2.216 1.00 0.63 H new ATOM 0 HD2 HIS A 43 -16.864 -9.696 1.304 1.00 0.69 H new ATOM 0 HE1 HIS A 43 -19.061 -6.708 -0.547 1.00 0.76 H new ATOM 656 N GLY A 44 -14.896 -8.979 -3.746 1.00 0.26 N ATOM 657 CA GLY A 44 -14.922 -8.250 -5.050 1.00 0.30 C ATOM 658 C GLY A 44 -15.752 -6.961 -4.997 1.00 0.21 C ATOM 659 O GLY A 44 -16.327 -6.566 -5.992 1.00 0.41 O ATOM 0 H GLY A 44 -14.101 -8.767 -3.143 1.00 0.26 H new ATOM 0 HA2 GLY A 44 -13.901 -8.007 -5.345 1.00 0.30 H new ATOM 0 HA3 GLY A 44 -15.328 -8.906 -5.819 1.00 0.30 H new ATOM 663 N GLN A 45 -15.814 -6.320 -3.857 1.00 0.26 N ATOM 664 CA GLN A 45 -16.618 -5.065 -3.799 1.00 0.37 C ATOM 665 C GLN A 45 -16.296 -4.244 -2.559 1.00 0.30 C ATOM 666 O GLN A 45 -15.904 -4.776 -1.546 1.00 0.28 O ATOM 667 CB GLN A 45 -18.101 -5.437 -3.759 1.00 0.46 C ATOM 668 CG GLN A 45 -18.835 -4.707 -4.889 1.00 0.64 C ATOM 669 CD GLN A 45 -18.773 -3.196 -4.644 1.00 3.10 C ATOM 670 OE1 GLN A 45 -18.715 -2.741 -3.519 1.00 4.42 O ATOM 671 NE2 GLN A 45 -18.786 -2.386 -5.669 1.00 3.97 N ATOM 0 H GLN A 45 -15.357 -6.601 -2.989 1.00 0.26 H new ATOM 0 HA GLN A 45 -16.378 -4.467 -4.678 1.00 0.37 H new ATOM 0 HB2 GLN A 45 -18.221 -6.515 -3.868 1.00 0.46 H new ATOM 0 HB3 GLN A 45 -18.531 -5.165 -2.795 1.00 0.46 H new ATOM 0 HG2 GLN A 45 -18.380 -4.950 -5.849 1.00 0.64 H new ATOM 0 HG3 GLN A 45 -19.873 -5.037 -4.936 1.00 0.64 H new ATOM 0 HE21 GLN A 45 -18.835 -2.762 -6.616 1.00 3.97 H new ATOM 0 HE22 GLN A 45 -18.748 -1.377 -5.522 1.00 3.97 H new ATOM 680 N THR A 46 -16.465 -2.953 -2.669 1.00 0.28 N ATOM 681 CA THR A 46 -16.182 -2.083 -1.516 1.00 0.22 C ATOM 682 C THR A 46 -17.451 -1.819 -0.717 1.00 0.20 C ATOM 683 O THR A 46 -18.498 -2.363 -1.009 1.00 0.25 O ATOM 684 CB THR A 46 -15.693 -0.749 -2.040 1.00 0.20 C ATOM 685 OG1 THR A 46 -16.531 -0.441 -3.140 1.00 0.22 O ATOM 686 CG2 THR A 46 -14.293 -0.867 -2.632 1.00 0.22 C ATOM 0 H THR A 46 -16.787 -2.474 -3.510 1.00 0.28 H new ATOM 0 HA THR A 46 -15.443 -2.570 -0.880 1.00 0.22 H new ATOM 0 HB THR A 46 -15.697 -0.018 -1.232 1.00 0.20 H new ATOM 0 HG1 THR A 46 -16.263 0.420 -3.524 1.00 0.22 H new ATOM 0 HG21 THR A 46 -13.970 0.107 -3.000 1.00 0.22 H new ATOM 0 HG22 THR A 46 -13.601 -1.213 -1.864 1.00 0.22 H new ATOM 0 HG23 THR A 46 -14.305 -1.580 -3.456 1.00 0.22 H new ATOM 694 N GLY A 47 -17.330 -0.988 0.277 1.00 0.15 N ATOM 695 CA GLY A 47 -18.523 -0.666 1.114 1.00 0.17 C ATOM 696 C GLY A 47 -18.113 -0.356 2.552 1.00 0.16 C ATOM 697 O GLY A 47 -16.943 -0.218 2.851 1.00 0.13 O ATOM 0 H GLY A 47 -16.465 -0.519 0.547 1.00 0.15 H new ATOM 0 HA2 GLY A 47 -19.050 0.189 0.690 1.00 0.17 H new ATOM 0 HA3 GLY A 47 -19.217 -1.506 1.103 1.00 0.17 H new ATOM 701 N MET A 48 -19.095 -0.260 3.411 1.00 0.19 N ATOM 702 CA MET A 48 -18.807 0.041 4.837 1.00 0.19 C ATOM 703 C MET A 48 -19.027 -1.187 5.712 1.00 0.21 C ATOM 704 O MET A 48 -19.923 -1.971 5.476 1.00 0.22 O ATOM 705 CB MET A 48 -19.769 1.142 5.291 1.00 0.20 C ATOM 706 CG MET A 48 -19.589 2.367 4.390 1.00 0.24 C ATOM 707 SD MET A 48 -19.984 3.985 5.097 1.00 0.27 S ATOM 708 CE MET A 48 -18.670 4.027 6.342 1.00 0.27 C ATOM 0 H MET A 48 -20.082 -0.378 3.183 1.00 0.19 H new ATOM 0 HA MET A 48 -17.767 0.352 4.933 1.00 0.19 H new ATOM 0 HB2 MET A 48 -20.798 0.786 5.241 1.00 0.20 H new ATOM 0 HB3 MET A 48 -19.574 1.407 6.330 1.00 0.20 H new ATOM 0 HG2 MET A 48 -18.552 2.390 4.055 1.00 0.24 H new ATOM 0 HG3 MET A 48 -20.207 2.227 3.503 1.00 0.24 H new ATOM 0 HE1 MET A 48 -18.460 5.061 6.614 1.00 0.27 H new ATOM 0 HE2 MET A 48 -18.990 3.477 7.227 1.00 0.27 H new ATOM 0 HE3 MET A 48 -17.769 3.568 5.935 1.00 0.27 H new ATOM 718 N PHE A 49 -18.200 -1.324 6.705 1.00 0.21 N ATOM 719 CA PHE A 49 -18.333 -2.484 7.616 1.00 0.24 C ATOM 720 C PHE A 49 -17.880 -2.099 9.028 1.00 0.22 C ATOM 721 O PHE A 49 -16.971 -1.305 9.175 1.00 0.21 O ATOM 722 CB PHE A 49 -17.411 -3.607 7.119 1.00 0.25 C ATOM 723 CG PHE A 49 -15.955 -3.144 7.177 1.00 0.23 C ATOM 724 CD1 PHE A 49 -15.523 -2.097 6.388 1.00 0.18 C ATOM 725 CD2 PHE A 49 -15.058 -3.719 8.064 1.00 0.25 C ATOM 726 CE1 PHE A 49 -14.241 -1.634 6.494 1.00 0.17 C ATOM 727 CE2 PHE A 49 -13.791 -3.238 8.163 1.00 0.25 C ATOM 728 CZ PHE A 49 -13.381 -2.207 7.380 1.00 0.20 C ATOM 0 H PHE A 49 -17.438 -0.682 6.924 1.00 0.21 H new ATOM 0 HA PHE A 49 -19.375 -2.804 7.634 1.00 0.24 H new ATOM 0 HB2 PHE A 49 -17.544 -4.498 7.733 1.00 0.25 H new ATOM 0 HB3 PHE A 49 -17.675 -3.882 6.098 1.00 0.25 H new ATOM 0 HD1 PHE A 49 -16.202 -1.641 5.683 1.00 0.18 H new ATOM 0 HD2 PHE A 49 -15.367 -4.552 8.678 1.00 0.25 H new ATOM 0 HE1 PHE A 49 -13.910 -0.813 5.875 1.00 0.17 H new ATOM 0 HE2 PHE A 49 -13.104 -3.679 8.870 1.00 0.25 H new ATOM 0 HZ PHE A 49 -12.368 -1.840 7.461 1.00 0.20 H new ATOM 738 N PRO A 50 -18.505 -2.646 10.055 1.00 0.22 N ATOM 739 CA PRO A 50 -18.106 -2.313 11.421 1.00 0.21 C ATOM 740 C PRO A 50 -16.630 -2.637 11.626 1.00 0.24 C ATOM 741 O PRO A 50 -16.193 -3.746 11.383 1.00 0.35 O ATOM 742 CB PRO A 50 -18.974 -3.203 12.320 1.00 0.22 C ATOM 743 CG PRO A 50 -19.997 -3.923 11.408 1.00 0.26 C ATOM 744 CD PRO A 50 -19.631 -3.601 9.956 1.00 0.25 C ATOM 0 HA PRO A 50 -18.240 -1.254 11.643 1.00 0.21 H new ATOM 0 HB2 PRO A 50 -18.358 -3.927 12.853 1.00 0.22 H new ATOM 0 HB3 PRO A 50 -19.486 -2.604 13.074 1.00 0.22 H new ATOM 0 HG2 PRO A 50 -19.972 -4.999 11.579 1.00 0.26 H new ATOM 0 HG3 PRO A 50 -21.010 -3.588 11.631 1.00 0.26 H new ATOM 0 HD2 PRO A 50 -19.341 -4.500 9.412 1.00 0.25 H new ATOM 0 HD3 PRO A 50 -20.475 -3.164 9.422 1.00 0.25 H new ATOM 752 N ARG A 51 -15.896 -1.662 12.064 1.00 0.20 N ATOM 753 CA ARG A 51 -14.444 -1.880 12.290 1.00 0.32 C ATOM 754 C ARG A 51 -14.178 -2.887 13.410 1.00 0.31 C ATOM 755 O ARG A 51 -13.138 -3.509 13.442 1.00 0.41 O ATOM 756 CB ARG A 51 -13.827 -0.543 12.704 1.00 0.40 C ATOM 757 CG ARG A 51 -12.331 -0.743 12.923 1.00 0.75 C ATOM 758 CD ARG A 51 -12.022 -0.754 14.417 1.00 0.59 C ATOM 759 NE ARG A 51 -12.193 0.623 14.955 1.00 0.93 N ATOM 760 CZ ARG A 51 -11.520 0.980 16.009 1.00 1.30 C ATOM 761 NH1 ARG A 51 -11.728 0.347 17.131 1.00 1.22 N ATOM 762 NH2 ARG A 51 -10.659 1.953 15.907 1.00 2.04 N ATOM 0 H ARG A 51 -16.235 -0.724 12.276 1.00 0.20 H new ATOM 0 HA ARG A 51 -14.011 -2.272 11.370 1.00 0.32 H new ATOM 0 HB2 ARG A 51 -13.999 0.208 11.933 1.00 0.40 H new ATOM 0 HB3 ARG A 51 -14.297 -0.176 13.616 1.00 0.40 H new ATOM 0 HG2 ARG A 51 -12.010 -1.681 12.470 1.00 0.75 H new ATOM 0 HG3 ARG A 51 -11.773 0.055 12.433 1.00 0.75 H new ATOM 0 HD2 ARG A 51 -12.687 -1.446 14.934 1.00 0.59 H new ATOM 0 HD3 ARG A 51 -11.003 -1.102 14.589 1.00 0.59 H new ATOM 0 HE ARG A 51 -12.830 1.279 14.503 1.00 0.93 H new ATOM 0 HH11 ARG A 51 -12.408 -0.412 17.170 1.00 1.22 H new ATOM 0 HH12 ARG A 51 -11.211 0.611 17.969 1.00 1.22 H new ATOM 0 HH21 ARG A 51 -10.522 2.421 15.011 1.00 2.04 H new ATOM 0 HH22 ARG A 51 -10.122 2.247 16.723 1.00 2.04 H new ATOM 776 N ASN A 52 -15.106 -3.026 14.318 1.00 0.20 N ATOM 777 CA ASN A 52 -14.875 -3.996 15.422 1.00 0.20 C ATOM 778 C ASN A 52 -15.235 -5.414 15.014 1.00 0.23 C ATOM 779 O ASN A 52 -15.227 -6.315 15.829 1.00 0.30 O ATOM 780 CB ASN A 52 -15.728 -3.587 16.632 1.00 0.18 C ATOM 781 CG ASN A 52 -14.857 -3.618 17.892 1.00 0.18 C ATOM 782 OD1 ASN A 52 -14.410 -4.661 18.326 1.00 2.12 O ATOM 783 ND2 ASN A 52 -14.596 -2.497 18.509 1.00 2.26 N ATOM 0 H ASN A 52 -15.993 -2.523 14.344 1.00 0.20 H new ATOM 0 HA ASN A 52 -13.814 -3.979 15.672 1.00 0.20 H new ATOM 0 HB2 ASN A 52 -16.138 -2.588 16.483 1.00 0.18 H new ATOM 0 HB3 ASN A 52 -16.574 -4.266 16.743 1.00 0.18 H new ATOM 0 HD21 ASN A 52 -14.020 -2.500 19.351 1.00 2.26 H new ATOM 0 HD22 ASN A 52 -14.968 -1.618 18.149 1.00 2.26 H new ATOM 790 N TYR A 53 -15.532 -5.582 13.758 1.00 0.17 N ATOM 791 CA TYR A 53 -15.893 -6.935 13.267 1.00 0.19 C ATOM 792 C TYR A 53 -14.712 -7.537 12.518 1.00 0.21 C ATOM 793 O TYR A 53 -14.815 -8.578 11.903 1.00 0.23 O ATOM 794 CB TYR A 53 -17.092 -6.814 12.325 1.00 0.17 C ATOM 795 CG TYR A 53 -18.342 -7.248 13.077 1.00 0.17 C ATOM 796 CD1 TYR A 53 -18.833 -6.497 14.123 1.00 0.20 C ATOM 797 CD2 TYR A 53 -18.999 -8.402 12.716 1.00 0.17 C ATOM 798 CE1 TYR A 53 -19.969 -6.894 14.793 1.00 0.21 C ATOM 799 CE2 TYR A 53 -20.130 -8.798 13.380 1.00 0.17 C ATOM 800 CZ TYR A 53 -20.628 -8.049 14.427 1.00 0.18 C ATOM 801 OH TYR A 53 -21.763 -8.453 15.100 1.00 0.19 O ATOM 0 H TYR A 53 -15.540 -4.844 13.054 1.00 0.17 H new ATOM 0 HA TYR A 53 -16.148 -7.580 14.108 1.00 0.19 H new ATOM 0 HB2 TYR A 53 -17.197 -5.787 11.976 1.00 0.17 H new ATOM 0 HB3 TYR A 53 -16.945 -7.437 11.443 1.00 0.17 H new ATOM 0 HD1 TYR A 53 -18.324 -5.592 14.419 1.00 0.20 H new ATOM 0 HD2 TYR A 53 -18.619 -9.001 11.902 1.00 0.17 H new ATOM 0 HE1 TYR A 53 -20.346 -6.297 15.610 1.00 0.21 H new ATOM 0 HE2 TYR A 53 -20.636 -9.704 13.082 1.00 0.17 H new ATOM 0 HH TYR A 53 -22.096 -9.287 14.708 1.00 0.19 H new ATOM 811 N VAL A 54 -13.610 -6.842 12.586 1.00 0.22 N ATOM 812 CA VAL A 54 -12.376 -7.314 11.903 1.00 0.23 C ATOM 813 C VAL A 54 -11.193 -7.157 12.850 1.00 0.24 C ATOM 814 O VAL A 54 -11.355 -6.695 13.962 1.00 0.30 O ATOM 815 CB VAL A 54 -12.115 -6.464 10.667 1.00 0.25 C ATOM 816 CG1 VAL A 54 -13.145 -6.806 9.581 1.00 0.27 C ATOM 817 CG2 VAL A 54 -12.192 -4.980 11.023 1.00 0.25 C ATOM 0 H VAL A 54 -13.512 -5.961 13.090 1.00 0.22 H new ATOM 0 HA VAL A 54 -12.502 -8.358 11.616 1.00 0.23 H new ATOM 0 HB VAL A 54 -11.115 -6.677 10.289 1.00 0.25 H new ATOM 0 HG11 VAL A 54 -12.957 -6.197 8.697 1.00 0.27 H new ATOM 0 HG12 VAL A 54 -13.061 -7.861 9.320 1.00 0.27 H new ATOM 0 HG13 VAL A 54 -14.149 -6.603 9.955 1.00 0.27 H new ATOM 0 HG21 VAL A 54 -12.004 -4.382 10.132 1.00 0.25 H new ATOM 0 HG22 VAL A 54 -13.184 -4.750 11.411 1.00 0.25 H new ATOM 0 HG23 VAL A 54 -11.443 -4.748 11.780 1.00 0.25 H new ATOM 827 N THR A 55 -10.036 -7.538 12.406 1.00 0.18 N ATOM 828 CA THR A 55 -8.850 -7.400 13.291 1.00 0.21 C ATOM 829 C THR A 55 -7.568 -7.162 12.459 1.00 0.26 C ATOM 830 O THR A 55 -7.234 -7.980 11.625 1.00 0.38 O ATOM 831 CB THR A 55 -8.717 -8.715 14.052 1.00 0.18 C ATOM 832 OG1 THR A 55 -7.333 -8.880 14.302 1.00 0.15 O ATOM 833 CG2 THR A 55 -9.097 -9.881 13.146 1.00 0.20 C ATOM 0 H THR A 55 -9.858 -7.934 11.483 1.00 0.18 H new ATOM 0 HA THR A 55 -8.975 -6.551 13.963 1.00 0.21 H new ATOM 0 HB THR A 55 -9.342 -8.696 14.945 1.00 0.18 H new ATOM 0 HG1 THR A 55 -7.187 -9.715 14.794 1.00 0.15 H new ATOM 0 HG21 THR A 55 -8.999 -10.817 13.697 1.00 0.20 H new ATOM 0 HG22 THR A 55 -10.128 -9.762 12.813 1.00 0.20 H new ATOM 0 HG23 THR A 55 -8.436 -9.899 12.280 1.00 0.20 H new ATOM 841 N PRO A 56 -6.856 -6.057 12.677 1.00 0.75 N ATOM 842 CA PRO A 56 -5.628 -5.792 11.906 1.00 0.88 C ATOM 843 C PRO A 56 -4.595 -6.902 12.088 1.00 1.11 C ATOM 844 O PRO A 56 -4.538 -7.536 13.124 1.00 1.50 O ATOM 845 CB PRO A 56 -5.076 -4.474 12.475 1.00 1.54 C ATOM 846 CG PRO A 56 -6.063 -3.971 13.550 1.00 1.96 C ATOM 847 CD PRO A 56 -7.186 -5.009 13.674 1.00 1.30 C ATOM 0 HA PRO A 56 -5.841 -5.740 10.838 1.00 0.88 H new ATOM 0 HB2 PRO A 56 -4.088 -4.629 12.907 1.00 1.54 H new ATOM 0 HB3 PRO A 56 -4.965 -3.733 11.683 1.00 1.54 H new ATOM 0 HG2 PRO A 56 -5.555 -3.842 14.505 1.00 1.96 H new ATOM 0 HG3 PRO A 56 -6.470 -2.999 13.271 1.00 1.96 H new ATOM 0 HD2 PRO A 56 -7.230 -5.423 14.681 1.00 1.30 H new ATOM 0 HD3 PRO A 56 -8.159 -4.563 13.470 1.00 1.30 H new ATOM 855 N VAL A 57 -3.802 -7.117 11.074 1.00 1.05 N ATOM 856 CA VAL A 57 -2.764 -8.182 11.163 1.00 1.56 C ATOM 857 C VAL A 57 -1.411 -7.584 11.547 1.00 2.01 C ATOM 858 O VAL A 57 -0.928 -6.683 10.892 1.00 3.73 O ATOM 859 CB VAL A 57 -2.620 -8.842 9.782 1.00 1.39 C ATOM 860 CG1 VAL A 57 -2.229 -10.313 9.962 1.00 2.02 C ATOM 861 CG2 VAL A 57 -3.949 -8.767 9.032 1.00 1.07 C ATOM 0 H VAL A 57 -3.828 -6.604 10.193 1.00 1.05 H new ATOM 0 HA VAL A 57 -3.066 -8.906 11.919 1.00 1.56 H new ATOM 0 HB VAL A 57 -1.851 -8.320 9.212 1.00 1.39 H new ATOM 0 HG11 VAL A 57 -2.126 -10.784 8.985 1.00 2.02 H new ATOM 0 HG12 VAL A 57 -1.281 -10.375 10.496 1.00 2.02 H new ATOM 0 HG13 VAL A 57 -3.002 -10.828 10.533 1.00 2.02 H new ATOM 0 HG21 VAL A 57 -3.842 -9.236 8.054 1.00 1.07 H new ATOM 0 HG22 VAL A 57 -4.718 -9.288 9.602 1.00 1.07 H new ATOM 0 HG23 VAL A 57 -4.236 -7.723 8.904 1.00 1.07 H new ATOM 871 N ASN A 58 -0.827 -8.093 12.602 1.00 2.11 N ATOM 872 CA ASN A 58 0.495 -7.559 13.034 1.00 2.18 C ATOM 873 C ASN A 58 1.416 -8.695 13.454 1.00 1.76 C ATOM 874 O ASN A 58 2.609 -8.517 13.608 1.00 3.43 O ATOM 875 CB ASN A 58 0.288 -6.615 14.226 1.00 4.38 C ATOM 876 CG ASN A 58 -1.022 -5.845 14.052 1.00 4.84 C ATOM 877 OD1 ASN A 58 -1.823 -5.747 14.962 1.00 7.07 O ATOM 878 ND2 ASN A 58 -1.282 -5.284 12.903 1.00 2.84 N ATOM 0 H ASN A 58 -1.205 -8.847 13.176 1.00 2.11 H new ATOM 0 HA ASN A 58 0.950 -7.024 12.201 1.00 2.18 H new ATOM 0 HB2 ASN A 58 0.265 -7.186 15.154 1.00 4.38 H new ATOM 0 HB3 ASN A 58 1.123 -5.919 14.300 1.00 4.38 H new ATOM 0 HD21 ASN A 58 -2.152 -4.768 12.773 1.00 2.84 H new ATOM 0 HD22 ASN A 58 -0.615 -5.362 12.135 1.00 2.84 H new ATOM 885 N ARG A 59 0.833 -9.843 13.620 1.00 2.46 N ATOM 886 CA ARG A 59 1.627 -11.032 14.030 1.00 3.96 C ATOM 887 C ARG A 59 0.726 -12.254 14.167 1.00 6.18 C ATOM 888 O ARG A 59 1.159 -13.297 13.705 1.00 8.09 O ATOM 889 CB ARG A 59 2.284 -10.751 15.391 1.00 2.70 C ATOM 890 CG ARG A 59 3.801 -10.879 15.244 1.00 4.16 C ATOM 891 CD ARG A 59 4.466 -10.552 16.583 1.00 2.89 C ATOM 892 NE ARG A 59 5.943 -10.539 16.400 1.00 2.97 N ATOM 893 CZ ARG A 59 6.696 -9.990 17.312 1.00 2.81 C ATOM 894 NH1 ARG A 59 6.146 -9.598 18.430 1.00 1.96 N ATOM 895 NH2 ARG A 59 7.972 -9.861 17.083 1.00 3.68 N ATOM 896 OXT ARG A 59 -0.349 -12.076 14.718 1.00 6.61 O ATOM 0 H ARG A 59 -0.164 -10.012 13.489 1.00 2.46 H new ATOM 0 HA ARG A 59 2.384 -11.228 13.271 1.00 3.96 H new ATOM 0 HB2 ARG A 59 2.022 -9.751 15.737 1.00 2.70 H new ATOM 0 HB3 ARG A 59 1.917 -11.454 16.139 1.00 2.70 H new ATOM 0 HG2 ARG A 59 4.064 -11.889 14.931 1.00 4.16 H new ATOM 0 HG3 ARG A 59 4.162 -10.201 14.470 1.00 4.16 H new ATOM 0 HD2 ARG A 59 4.123 -9.583 16.947 1.00 2.89 H new ATOM 0 HD3 ARG A 59 4.186 -11.292 17.333 1.00 2.89 H new ATOM 0 HE ARG A 59 6.362 -10.956 15.569 1.00 2.97 H new ATOM 0 HH11 ARG A 59 5.145 -9.724 18.577 1.00 1.96 H new ATOM 0 HH12 ARG A 59 6.718 -9.166 19.156 1.00 1.96 H new ATOM 0 HH21 ARG A 59 8.367 -10.187 16.201 1.00 3.68 H new ATOM 0 HH22 ARG A 59 8.576 -9.434 17.786 1.00 3.68 H new TER 910 ARG A 59