USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= -0.217 K(o=0.46,f=-13!) USER MOD Set 1.2: A 70 THR OG1 : rot -150:sc= 0.681 USER MOD Set 2.1: A 30 SER OG : rot 111:sc= 0.643 USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -0.602 F(o=-2.5,f=0.041) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.372 USER MOD Set 3.2: A 12 TYR OH : rot 75:sc= 0.404 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 4 SER OG : rot 180:sc= -0.063 USER MOD Single : A 7 GLN : amide:sc= -0.135 K(o=-0.13,f=-4.3!) USER MOD Single : A 11 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.083) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -2.61! F(o=-3.2,f=-2.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.302 USER MOD Single : A 45 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.657 0.837 0.276 1.00 62.14 N ATOM 2 CA GLY A 1 2.488 0.206 -1.021 1.00 72.30 C ATOM 3 C GLY A 1 1.994 1.176 -2.075 1.00 22.14 C ATOM 4 O GLY A 1 2.766 1.973 -2.610 1.00 61.32 O ATOM 0 H1 GLY A 1 2.996 0.133 0.963 1.00 62.14 H new ATOM 0 H2 GLY A 1 3.351 1.608 0.199 1.00 62.14 H new ATOM 0 H3 GLY A 1 1.745 1.222 0.596 1.00 62.14 H new ATOM 0 HA2 GLY A 1 3.438 -0.221 -1.341 1.00 72.30 H new ATOM 0 HA3 GLY A 1 1.782 -0.619 -0.931 1.00 72.30 H new ATOM 10 N THR A 2 0.701 1.109 -2.379 1.00 31.43 N ATOM 11 CA THR A 2 0.105 1.985 -3.380 1.00 21.31 C ATOM 12 C THR A 2 -0.001 3.417 -2.864 1.00 71.43 C ATOM 13 O THR A 2 0.028 3.672 -1.660 1.00 32.13 O ATOM 14 CB THR A 2 -1.296 1.495 -3.792 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.935 0.851 -2.684 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.208 0.530 -4.965 1.00 63.13 C ATOM 0 H THR A 2 0.047 0.457 -1.946 1.00 31.43 H new ATOM 0 HA THR A 2 0.760 1.963 -4.251 1.00 21.31 H new ATOM 0 HB THR A 2 -1.885 2.360 -4.097 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.826 0.544 -2.953 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.209 0.197 -5.238 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.748 1.032 -5.816 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.604 -0.332 -4.682 1.00 63.13 H new ATOM 24 N PRO A 3 -0.126 4.373 -3.795 1.00 22.24 N ATOM 25 CA PRO A 3 -0.240 5.796 -3.458 1.00 51.53 C ATOM 26 C PRO A 3 -1.572 6.129 -2.795 1.00 21.02 C ATOM 27 O PRO A 3 -2.585 5.480 -3.055 1.00 25.42 O ATOM 28 CB PRO A 3 -0.130 6.493 -4.817 1.00 52.33 C ATOM 29 CG PRO A 3 -0.590 5.474 -5.802 1.00 61.01 C ATOM 30 CD PRO A 3 -0.167 4.142 -5.248 1.00 71.24 C ATOM 0 HA PRO A 3 0.520 6.107 -2.742 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.750 7.388 -4.854 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.894 6.806 -5.020 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.671 5.517 -5.932 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.144 5.649 -6.781 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.874 3.355 -5.510 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.806 3.837 -5.634 1.00 71.24 H new ATOM 38 N SER A 4 -1.564 7.144 -1.937 1.00 53.30 N ATOM 39 CA SER A 4 -2.771 7.563 -1.234 1.00 1.23 C ATOM 40 C SER A 4 -2.747 9.063 -0.957 1.00 70.21 C ATOM 41 O SER A 4 -1.730 9.725 -1.157 1.00 72.45 O ATOM 42 CB SER A 4 -2.913 6.791 0.080 1.00 45.22 C ATOM 43 OG SER A 4 -2.767 5.397 -0.128 1.00 21.10 O ATOM 0 H SER A 4 -0.734 7.692 -1.712 1.00 53.30 H new ATOM 0 HA SER A 4 -3.628 7.344 -1.871 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.162 7.136 0.791 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.888 6.996 0.522 1.00 45.22 H new ATOM 0 HG SER A 4 -2.860 4.927 0.727 1.00 21.10 H new ATOM 49 N ALA A 5 -3.875 9.591 -0.496 1.00 44.51 N ATOM 50 CA ALA A 5 -3.985 11.011 -0.190 1.00 71.53 C ATOM 51 C ALA A 5 -2.921 11.439 0.816 1.00 64.50 C ATOM 52 O ALA A 5 -2.543 12.610 0.873 1.00 75.23 O ATOM 53 CB ALA A 5 -5.375 11.331 0.340 1.00 50.33 C ATOM 0 H ALA A 5 -4.727 9.056 -0.326 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.823 11.570 -1.112 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.443 12.395 0.564 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.120 11.071 -0.412 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.559 10.756 1.248 1.00 50.33 H new ATOM 59 N ASP A 6 -2.444 10.485 1.608 1.00 73.12 N ATOM 60 CA ASP A 6 -1.424 10.763 2.611 1.00 73.34 C ATOM 61 C ASP A 6 -0.096 11.118 1.951 1.00 50.31 C ATOM 62 O ASP A 6 0.727 11.825 2.532 1.00 61.44 O ATOM 63 CB ASP A 6 -1.243 9.557 3.534 1.00 32.21 C ATOM 64 CG ASP A 6 -0.415 9.885 4.760 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.450 11.051 5.206 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.270 8.976 5.274 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.748 9.512 1.574 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.755 11.617 3.203 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.222 9.193 3.847 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.764 8.749 2.981 1.00 32.21 H new ATOM 71 N GLN A 7 0.108 10.620 0.735 1.00 61.34 N ATOM 72 CA GLN A 7 1.337 10.884 -0.001 1.00 33.32 C ATOM 73 C GLN A 7 1.356 12.312 -0.539 1.00 30.12 C ATOM 74 O GLN A 7 2.418 12.910 -0.705 1.00 65.14 O ATOM 75 CB GLN A 7 1.489 9.890 -1.155 1.00 3.44 C ATOM 76 CG GLN A 7 2.024 8.535 -0.724 1.00 3.33 C ATOM 77 CD GLN A 7 3.497 8.576 -0.370 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.285 9.260 -1.022 1.00 64.11 O ATOM 79 NE2 GLN A 7 3.877 7.838 0.668 1.00 43.14 N ATOM 0 H GLN A 7 -0.562 10.032 0.240 1.00 61.34 H new ATOM 0 HA GLN A 7 2.174 10.764 0.687 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.520 9.753 -1.635 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.158 10.314 -1.903 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.457 8.182 0.137 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.867 7.814 -1.527 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.189 7.286 1.180 1.00 43.14 H new ATOM 0 HE22 GLN A 7 4.856 7.824 0.952 1.00 43.14 H new ATOM 88 N VAL A 8 0.171 12.850 -0.811 1.00 11.23 N ATOM 89 CA VAL A 8 0.049 14.210 -1.329 1.00 70.32 C ATOM 90 C VAL A 8 -0.191 15.208 -0.202 1.00 51.41 C ATOM 91 O VAL A 8 -0.732 16.290 -0.424 1.00 2.43 O ATOM 92 CB VAL A 8 -1.096 14.319 -2.351 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.794 13.482 -3.584 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.415 13.897 -1.721 1.00 21.21 C ATOM 0 H VAL A 8 -0.718 12.366 -0.682 1.00 11.23 H new ATOM 0 HA VAL A 8 0.991 14.447 -1.824 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.184 15.360 -2.661 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.615 13.572 -4.295 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.127 13.836 -4.047 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.677 12.438 -3.295 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.214 13.980 -2.458 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.342 12.864 -1.381 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.636 14.544 -0.872 1.00 21.21 H new ATOM 104 N ARG A 9 0.216 14.835 1.008 1.00 23.24 N ATOM 105 CA ARG A 9 0.044 15.699 2.170 1.00 13.23 C ATOM 106 C ARG A 9 1.106 16.794 2.196 1.00 52.15 C ATOM 107 O ARG A 9 1.936 16.889 1.293 1.00 24.40 O ATOM 108 CB ARG A 9 0.111 14.876 3.458 1.00 64.10 C ATOM 109 CG ARG A 9 -1.175 14.131 3.774 1.00 33.12 C ATOM 110 CD ARG A 9 -2.215 15.051 4.397 1.00 30.54 C ATOM 111 NE ARG A 9 -3.133 14.327 5.271 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.222 14.872 5.802 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.528 16.136 5.549 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.009 14.147 6.588 1.00 52.12 N ATOM 0 H ARG A 9 0.666 13.942 1.208 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.936 16.171 2.099 1.00 13.23 H new ATOM 0 HB2 ARG A 9 0.927 14.157 3.378 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.351 15.538 4.290 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.576 13.693 2.860 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.961 13.308 4.456 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.713 15.833 4.967 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.781 15.546 3.607 1.00 30.54 H new ATOM 0 HE ARG A 9 -2.928 13.351 5.485 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.926 16.695 4.944 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -5.365 16.550 5.959 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -4.777 13.173 6.783 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -5.845 14.564 6.997 1.00 52.12 H new ATOM 128 N TYR A 10 1.073 17.618 3.239 1.00 14.33 N ATOM 129 CA TYR A 10 2.030 18.707 3.381 1.00 71.55 C ATOM 130 C TYR A 10 2.385 18.932 4.848 1.00 52.43 C ATOM 131 O TYR A 10 1.673 18.484 5.746 1.00 74.35 O ATOM 132 CB TYR A 10 1.464 19.995 2.779 1.00 34.44 C ATOM 133 CG TYR A 10 0.299 20.565 3.555 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.509 21.385 4.658 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.011 20.284 3.188 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.551 21.909 5.371 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.078 20.806 3.894 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.844 21.617 4.984 1.00 2.14 C ATOM 139 OH TYR A 10 -2.904 22.135 5.691 1.00 11.10 O ATOM 0 H TYR A 10 0.394 17.551 3.997 1.00 14.33 H new ATOM 0 HA TYR A 10 2.937 18.431 2.844 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.257 20.742 2.729 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.146 19.798 1.755 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.519 21.616 4.962 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.199 19.647 2.336 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.370 22.543 6.226 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.090 20.580 3.593 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.745 21.834 5.287 1.00 11.10 H new ATOM 149 N ASN A 11 3.491 19.632 5.083 1.00 42.23 N ATOM 150 CA ASN A 11 3.941 19.918 6.440 1.00 42.31 C ATOM 151 C ASN A 11 4.092 21.420 6.657 1.00 20.03 C ATOM 152 O ASN A 11 4.530 22.146 5.766 1.00 44.41 O ATOM 153 CB ASN A 11 5.272 19.214 6.717 1.00 13.35 C ATOM 154 CG ASN A 11 5.948 19.730 7.973 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.443 19.548 9.081 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.094 20.377 7.803 1.00 62.24 N ATOM 0 H ASN A 11 4.092 20.011 4.351 1.00 42.23 H new ATOM 0 HA ASN A 11 3.188 19.543 7.133 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.100 18.142 6.814 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.938 19.354 5.866 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.595 20.748 8.610 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.474 20.503 6.865 1.00 62.24 H new ATOM 163 N TYR A 12 3.727 21.879 7.850 1.00 45.02 N ATOM 164 CA TYR A 12 3.820 23.295 8.184 1.00 72.31 C ATOM 165 C TYR A 12 5.268 23.701 8.438 1.00 31.24 C ATOM 166 O TYR A 12 5.958 23.103 9.264 1.00 51.10 O ATOM 167 CB TYR A 12 2.967 23.605 9.417 1.00 11.32 C ATOM 168 CG TYR A 12 1.479 23.542 9.156 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.867 24.440 8.289 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.686 22.587 9.778 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.491 24.387 8.048 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.674 22.525 9.541 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.258 23.428 8.677 1.00 53.13 C ATOM 174 OH TYR A 12 -2.612 23.369 8.440 1.00 31.24 O ATOM 0 H TYR A 12 3.364 21.291 8.601 1.00 45.02 H new ATOM 0 HA TYR A 12 3.445 23.869 7.336 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.219 22.900 10.209 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.221 24.600 9.783 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.465 25.192 7.795 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.139 21.881 10.458 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.950 25.092 7.371 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.276 21.774 10.030 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.773 22.976 7.557 1.00 31.24 H new ATOM 184 N THR A 13 5.723 24.723 7.719 1.00 52.44 N ATOM 185 CA THR A 13 7.088 25.210 7.864 1.00 21.44 C ATOM 186 C THR A 13 7.133 26.733 7.857 1.00 1.51 C ATOM 187 O THR A 13 6.142 27.391 7.538 1.00 61.40 O ATOM 188 CB THR A 13 7.999 24.676 6.741 1.00 0.51 C ATOM 189 OG1 THR A 13 7.593 25.223 5.482 1.00 12.51 O ATOM 190 CG2 THR A 13 7.947 23.158 6.681 1.00 33.31 C ATOM 0 H THR A 13 5.165 25.229 7.031 1.00 52.44 H new ATOM 0 HA THR A 13 7.453 24.843 8.823 1.00 21.44 H new ATOM 0 HB THR A 13 9.023 24.980 6.956 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.177 24.881 4.773 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.597 22.803 5.881 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.282 22.745 7.632 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.924 22.836 6.486 1.00 33.31 H new ATOM 198 N GLU A 14 8.287 27.290 8.210 1.00 33.12 N ATOM 199 CA GLU A 14 8.459 28.737 8.243 1.00 45.32 C ATOM 200 C GLU A 14 9.069 29.244 6.939 1.00 72.14 C ATOM 201 O GLU A 14 9.850 28.544 6.292 1.00 2.41 O ATOM 202 CB GLU A 14 9.346 29.142 9.423 1.00 43.44 C ATOM 203 CG GLU A 14 8.676 30.108 10.384 1.00 35.42 C ATOM 204 CD GLU A 14 9.634 30.655 11.425 1.00 64.44 C ATOM 205 OE1 GLU A 14 9.917 29.939 12.406 1.00 12.22 O ATOM 206 OE2 GLU A 14 10.100 31.802 11.255 1.00 31.43 O1- ATOM 0 H GLU A 14 9.117 26.761 8.477 1.00 33.12 H new ATOM 0 HA GLU A 14 7.475 29.190 8.364 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.641 28.246 9.969 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.259 29.598 9.041 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.247 30.936 9.820 1.00 35.42 H new ATOM 0 HG3 GLU A 14 7.851 29.602 10.885 1.00 35.42 H new ATOM 213 N LEU A 15 8.705 30.463 6.557 1.00 31.01 N ATOM 214 CA LEU A 15 9.215 31.064 5.329 1.00 75.52 C ATOM 215 C LEU A 15 10.044 32.307 5.636 1.00 52.53 C ATOM 216 O LEU A 15 9.918 32.924 6.694 1.00 52.44 O ATOM 217 CB LEU A 15 8.057 31.426 4.397 1.00 45.14 C ATOM 218 CG LEU A 15 7.512 30.289 3.533 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.175 30.678 2.921 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.511 29.917 2.446 1.00 34.00 C ATOM 0 H LEU A 15 8.059 31.055 7.079 1.00 31.01 H new ATOM 0 HA LEU A 15 9.857 30.335 4.835 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.240 31.820 5.001 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.384 32.231 3.739 1.00 45.14 H new ATOM 0 HG LEU A 15 7.358 29.417 4.169 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.802 29.857 2.309 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.460 30.893 3.715 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.303 31.564 2.299 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.105 29.106 1.841 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.698 30.784 1.812 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.445 29.595 2.905 1.00 34.00 H new ATOM 232 N PRO A 16 10.912 32.689 4.687 1.00 52.33 N ATOM 233 CA PRO A 16 11.778 33.863 4.831 1.00 73.22 C ATOM 234 C PRO A 16 10.994 35.170 4.777 1.00 42.24 C ATOM 235 O PRO A 16 11.545 36.245 5.008 1.00 30.55 O ATOM 236 CB PRO A 16 12.723 33.756 3.632 1.00 54.14 C ATOM 237 CG PRO A 16 11.965 32.968 2.620 1.00 53.42 C ATOM 238 CD PRO A 16 11.116 32.002 3.400 1.00 70.53 C ATOM 0 HA PRO A 16 12.289 33.877 5.793 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.989 34.741 3.248 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.654 33.259 3.905 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.347 33.619 2.001 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.642 32.439 1.950 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.170 31.802 2.897 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.616 31.043 3.531 1.00 70.53 H new ATOM 246 N ASN A 17 9.704 35.069 4.467 1.00 3.13 N ATOM 247 CA ASN A 17 8.845 36.245 4.383 1.00 21.43 C ATOM 248 C ASN A 17 8.099 36.470 5.695 1.00 30.55 C ATOM 249 O ASN A 17 7.330 37.419 5.829 1.00 12.42 O ATOM 250 CB ASN A 17 7.845 36.089 3.236 1.00 30.03 C ATOM 251 CG ASN A 17 7.455 34.642 3.000 1.00 50.24 C ATOM 252 OD1 ASN A 17 6.383 34.204 3.649 1.00 12.44 O flip ATOM 253 ND2 ASN A 17 8.113 33.927 2.243 1.00 24.23 N flip ATOM 0 H ASN A 17 9.232 34.186 4.270 1.00 3.13 H new ATOM 0 HA ASN A 17 9.477 37.113 4.192 1.00 21.43 H new ATOM 0 HB2 ASN A 17 6.951 36.672 3.456 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.277 36.499 2.323 1.00 30.03 H new ATOM 0 HD21 ASN A 17 8.930 34.307 1.765 1.00 24.23 H new ATOM 0 HD22 ASN A 17 7.841 32.955 2.094 1.00 24.23 H new ATOM 260 N GLY A 18 8.334 35.587 6.662 1.00 75.24 N ATOM 261 CA GLY A 18 7.679 35.706 7.951 1.00 63.13 C ATOM 262 C GLY A 18 6.491 34.775 8.087 1.00 23.55 C ATOM 263 O GLY A 18 6.120 34.389 9.194 1.00 61.41 O ATOM 0 H GLY A 18 8.967 34.792 6.575 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.398 35.490 8.741 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.348 36.735 8.093 1.00 63.13 H new ATOM 267 N GLU A 19 5.893 34.413 6.955 1.00 64.42 N ATOM 268 CA GLU A 19 4.739 33.523 6.953 1.00 70.10 C ATOM 269 C GLU A 19 5.175 32.067 7.072 1.00 45.33 C ATOM 270 O GLU A 19 6.368 31.766 7.129 1.00 50.13 O ATOM 271 CB GLU A 19 3.917 33.719 5.677 1.00 2.11 C ATOM 272 CG GLU A 19 3.593 35.172 5.379 1.00 53.05 C ATOM 273 CD GLU A 19 2.783 35.828 6.481 1.00 73.31 C ATOM 274 OE1 GLU A 19 1.537 35.764 6.423 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.396 36.404 7.405 1.00 64.10 O ATOM 0 H GLU A 19 6.189 34.723 6.029 1.00 64.42 H new ATOM 0 HA GLU A 19 4.121 33.770 7.816 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.464 33.297 4.834 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.986 33.159 5.765 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.521 35.725 5.237 1.00 53.05 H new ATOM 0 HG3 GLU A 19 3.040 35.232 4.442 1.00 53.05 H new ATOM 282 N TYR A 20 4.201 31.163 7.110 1.00 61.53 N ATOM 283 CA TYR A 20 4.483 29.738 7.225 1.00 34.14 C ATOM 284 C TYR A 20 4.531 29.079 5.849 1.00 55.31 C ATOM 285 O TYR A 20 5.593 28.669 5.382 1.00 31.44 O ATOM 286 CB TYR A 20 3.424 29.055 8.092 1.00 60.13 C ATOM 287 CG TYR A 20 3.817 28.941 9.548 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.532 29.962 10.446 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.471 27.812 10.025 1.00 15.40 C ATOM 290 CE1 TYR A 20 3.888 29.862 11.778 1.00 4.43 C ATOM 291 CE2 TYR A 20 4.830 27.702 11.353 1.00 61.50 C ATOM 292 CZ TYR A 20 4.538 28.730 12.226 1.00 52.13 C ATOM 293 OH TYR A 20 4.893 28.626 13.551 1.00 70.22 O ATOM 0 H TYR A 20 3.208 31.393 7.063 1.00 61.53 H new ATOM 0 HA TYR A 20 5.459 29.624 7.697 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.491 29.613 8.019 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.231 28.058 7.697 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.024 30.849 10.098 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.703 27.006 9.344 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.659 30.664 12.464 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.337 26.816 11.707 1.00 61.50 H new ATOM 0 HH TYR A 20 5.341 27.768 13.703 1.00 70.22 H new ATOM 303 N CYS A 21 3.373 28.984 5.205 1.00 45.41 N ATOM 304 CA CYS A 21 3.280 28.375 3.884 1.00 22.34 C ATOM 305 C CYS A 21 1.863 28.491 3.330 1.00 21.40 C ATOM 306 O CYS A 21 0.888 28.483 4.083 1.00 34.13 O ATOM 307 CB CYS A 21 3.696 26.905 3.946 1.00 14.31 C ATOM 308 SG CYS A 21 2.468 25.815 4.735 1.00 72.04 S ATOM 0 H CYS A 21 2.485 29.321 5.577 1.00 45.41 H new ATOM 0 HA CYS A 21 3.957 28.909 3.217 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.884 26.549 2.933 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.637 26.828 4.491 1.00 14.31 H new ATOM 313 N TYR A 22 1.756 28.599 2.010 1.00 73.41 N ATOM 314 CA TYR A 22 0.459 28.719 1.356 1.00 25.14 C ATOM 315 C TYR A 22 -0.174 27.346 1.146 1.00 21.32 C ATOM 316 O TYR A 22 0.416 26.465 0.521 1.00 14.24 O ATOM 317 CB TYR A 22 0.606 29.436 0.012 1.00 71.24 C ATOM 318 CG TYR A 22 0.695 30.940 0.136 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.202 31.647 0.927 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.677 31.655 -0.538 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.123 33.021 1.043 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.765 33.028 -0.428 1.00 75.54 C ATOM 323 CZ TYR A 22 0.861 33.707 0.364 1.00 12.31 C ATOM 324 OH TYR A 22 0.943 35.076 0.475 1.00 10.53 O ATOM 0 H TYR A 22 2.552 28.606 1.372 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.193 29.305 2.003 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.500 29.068 -0.491 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.244 29.181 -0.621 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.974 31.113 1.460 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.385 31.127 -1.160 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.828 33.555 1.662 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.536 33.568 -0.958 1.00 75.54 H new ATOM 0 HH TYR A 22 1.692 35.404 -0.065 1.00 10.53 H new ATOM 334 N THR A 23 -1.382 27.172 1.673 1.00 31.22 N ATOM 335 CA THR A 23 -2.096 25.908 1.546 1.00 12.23 C ATOM 336 C THR A 23 -2.120 25.434 0.097 1.00 3.11 C ATOM 337 O THR A 23 -1.899 26.204 -0.837 1.00 50.51 O ATOM 338 CB THR A 23 -3.544 26.026 2.059 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.991 27.382 1.953 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.646 25.564 3.505 1.00 42.22 C ATOM 0 H THR A 23 -1.886 27.891 2.192 1.00 31.22 H new ATOM 0 HA THR A 23 -1.561 25.180 2.156 1.00 12.23 H new ATOM 0 HB THR A 23 -4.177 25.386 1.445 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.913 27.449 2.279 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.678 25.657 3.845 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.332 24.523 3.577 1.00 42.22 H new ATOM 0 HG23 THR A 23 -3.001 26.181 4.131 1.00 42.22 H new ATOM 348 N PRO A 24 -2.394 24.135 -0.097 1.00 10.51 N ATOM 349 CA PRO A 24 -2.455 23.529 -1.431 1.00 1.33 C ATOM 350 C PRO A 24 -3.663 24.005 -2.230 1.00 0.42 C ATOM 351 O PRO A 24 -4.690 24.372 -1.659 1.00 21.20 O ATOM 352 CB PRO A 24 -2.564 22.032 -1.135 1.00 42.41 C ATOM 353 CG PRO A 24 -3.175 21.956 0.221 1.00 13.41 C ATOM 354 CD PRO A 24 -2.668 23.159 0.970 1.00 22.44 C ATOM 0 HA PRO A 24 -1.591 23.795 -2.040 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.182 21.526 -1.876 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.585 21.552 -1.155 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.263 21.964 0.160 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.891 21.033 0.726 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.408 23.534 1.677 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.770 22.927 1.542 1.00 22.44 H new ATOM 362 N ARG A 25 -3.532 23.996 -3.552 1.00 41.50 N ATOM 363 CA ARG A 25 -4.616 24.427 -4.429 1.00 11.30 C ATOM 364 C ARG A 25 -4.908 25.912 -4.241 1.00 42.24 C ATOM 365 O ARG A 25 -6.001 26.385 -4.552 1.00 30.50 O ATOM 366 CB ARG A 25 -5.878 23.609 -4.156 1.00 71.35 C ATOM 367 CG ARG A 25 -5.621 22.117 -4.022 1.00 24.20 C ATOM 368 CD ARG A 25 -6.893 21.361 -3.668 1.00 13.12 C ATOM 369 NE ARG A 25 -6.618 19.984 -3.270 1.00 61.42 N ATOM 370 CZ ARG A 25 -6.217 19.637 -2.051 1.00 63.21 C ATOM 371 NH1 ARG A 25 -6.046 20.562 -1.118 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -5.987 18.362 -1.766 1.00 31.52 N ATOM 0 H ARG A 25 -2.688 23.696 -4.040 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.303 24.263 -5.460 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.345 23.972 -3.240 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.590 23.775 -4.964 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.216 21.731 -4.957 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -4.868 21.944 -3.253 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.408 21.877 -2.857 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -7.566 21.363 -4.525 1.00 13.12 H new ATOM 0 HE ARG A 25 -6.740 19.248 -3.965 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -6.222 21.543 -1.334 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -5.738 20.293 -0.183 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -6.118 17.648 -2.482 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -5.679 18.096 -0.831 1.00 31.52 H new ATOM 386 N ARG A 26 -3.923 26.644 -3.729 1.00 23.54 N ATOM 387 CA ARG A 26 -4.076 28.076 -3.498 1.00 14.21 C ATOM 388 C ARG A 26 -3.204 28.878 -4.459 1.00 22.51 C ATOM 389 O ARG A 26 -2.118 28.440 -4.841 1.00 34.12 O ATOM 390 CB ARG A 26 -3.711 28.423 -2.052 1.00 32.13 C ATOM 391 CG ARG A 26 -4.692 29.375 -1.389 1.00 14.42 C ATOM 392 CD ARG A 26 -4.097 30.765 -1.230 1.00 12.23 C ATOM 393 NE ARG A 26 -5.129 31.798 -1.175 1.00 53.14 N ATOM 394 CZ ARG A 26 -4.871 33.083 -0.956 1.00 71.13 C ATOM 395 NH1 ARG A 26 -3.623 33.490 -0.773 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.864 33.963 -0.921 1.00 33.14 N ATOM 0 H ARG A 26 -3.011 26.269 -3.467 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.119 28.338 -3.676 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.659 27.504 -1.469 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.716 28.869 -2.034 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.603 29.434 -1.985 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.975 28.985 -0.411 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.498 30.801 -0.320 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.424 30.969 -2.063 1.00 12.23 H new ATOM 0 HE ARG A 26 -6.100 31.518 -1.312 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -2.858 32.816 -0.800 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -3.428 34.477 -0.605 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.825 33.653 -1.062 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.666 34.949 -0.753 1.00 33.14 H new ATOM 410 N ARG A 27 -3.687 30.052 -4.848 1.00 50.31 N ATOM 411 CA ARG A 27 -2.953 30.914 -5.767 1.00 40.43 C ATOM 412 C ARG A 27 -1.620 31.345 -5.162 1.00 64.30 C ATOM 413 O ARG A 27 -1.572 31.878 -4.052 1.00 33.14 O ATOM 414 CB ARG A 27 -3.787 32.149 -6.118 1.00 5.30 C ATOM 415 CG ARG A 27 -3.019 33.200 -6.901 1.00 61.13 C ATOM 416 CD ARG A 27 -3.936 34.306 -7.399 1.00 24.42 C ATOM 417 NE ARG A 27 -5.075 33.777 -8.145 1.00 40.41 N ATOM 418 CZ ARG A 27 -6.104 34.519 -8.539 1.00 44.13 C ATOM 419 NH1 ARG A 27 -6.136 35.815 -8.259 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -7.103 33.965 -9.213 1.00 21.32 N ATOM 0 H ARG A 27 -4.584 30.429 -4.541 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.754 30.346 -6.676 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.655 31.838 -6.699 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.163 32.596 -5.198 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.240 33.628 -6.270 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.520 32.731 -7.749 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.297 34.888 -6.551 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -3.371 34.987 -8.035 1.00 24.42 H new ATOM 0 HE ARG A 27 -5.081 32.784 -8.376 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.370 36.244 -7.740 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -6.927 36.383 -8.562 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -7.082 32.968 -9.429 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -7.893 34.536 -9.515 1.00 21.32 H new ATOM 434 N CYS A 28 -0.539 31.107 -5.896 1.00 43.33 N ATOM 435 CA CYS A 28 0.795 31.469 -5.433 1.00 31.31 C ATOM 436 C CYS A 28 1.628 32.051 -6.571 1.00 63.13 C ATOM 437 O CYS A 28 1.176 32.117 -7.715 1.00 50.44 O ATOM 438 CB CYS A 28 1.502 30.245 -4.845 1.00 52.41 C ATOM 439 SG CYS A 28 1.719 28.874 -6.023 1.00 5.44 S ATOM 0 H CYS A 28 -0.561 30.665 -6.815 1.00 43.33 H new ATOM 0 HA CYS A 28 0.689 32.229 -4.658 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.481 30.548 -4.473 1.00 52.41 H new ATOM 0 HB3 CYS A 28 0.932 29.886 -3.988 1.00 52.41 H new ATOM 444 N THR A 29 2.846 32.475 -6.249 1.00 73.01 N ATOM 445 CA THR A 29 3.741 33.053 -7.244 1.00 32.12 C ATOM 446 C THR A 29 5.100 32.362 -7.229 1.00 33.55 C ATOM 447 O THR A 29 5.709 32.148 -8.276 1.00 51.13 O ATOM 448 CB THR A 29 3.945 34.562 -7.006 1.00 20.25 C ATOM 449 OG1 THR A 29 4.908 35.078 -7.930 1.00 30.25 O ATOM 450 CG2 THR A 29 4.405 34.828 -5.581 1.00 44.55 C ATOM 0 H THR A 29 3.235 32.429 -5.307 1.00 73.01 H new ATOM 0 HA THR A 29 3.271 32.904 -8.216 1.00 32.12 H new ATOM 0 HB THR A 29 2.990 35.064 -7.161 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.031 36.038 -7.773 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.542 35.900 -5.437 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.654 34.461 -4.882 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.349 34.314 -5.402 1.00 44.55 H new ATOM 458 N SER A 30 5.568 32.013 -6.035 1.00 63.54 N ATOM 459 CA SER A 30 6.857 31.347 -5.884 1.00 12.44 C ATOM 460 C SER A 30 6.684 29.964 -5.264 1.00 32.23 C ATOM 461 O SER A 30 6.001 29.806 -4.253 1.00 42.24 O ATOM 462 CB SER A 30 7.794 32.192 -5.020 1.00 1.42 C ATOM 463 OG SER A 30 7.660 33.571 -5.321 1.00 24.25 O ATOM 0 H SER A 30 5.074 32.180 -5.158 1.00 63.54 H new ATOM 0 HA SER A 30 7.296 31.230 -6.875 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.573 32.023 -3.966 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.825 31.879 -5.183 1.00 1.42 H new ATOM 0 HG SER A 30 7.240 34.032 -4.565 1.00 24.25 H new ATOM 469 N ALA A 31 7.310 28.965 -5.878 1.00 62.45 N ATOM 470 CA ALA A 31 7.228 27.595 -5.386 1.00 32.30 C ATOM 471 C ALA A 31 7.702 27.502 -3.940 1.00 10.12 C ATOM 472 O ALA A 31 7.180 26.710 -3.155 1.00 65.45 O ATOM 473 CB ALA A 31 8.045 26.667 -6.272 1.00 44.20 C ATOM 0 H ALA A 31 7.879 29.079 -6.717 1.00 62.45 H new ATOM 0 HA ALA A 31 6.184 27.285 -5.419 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.975 25.647 -5.893 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.659 26.703 -7.291 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.088 26.985 -6.268 1.00 44.20 H new ATOM 479 N ASP A 32 8.693 28.316 -3.594 1.00 12.20 N ATOM 480 CA ASP A 32 9.238 28.325 -2.241 1.00 73.45 C ATOM 481 C ASP A 32 8.140 28.583 -1.215 1.00 71.20 C ATOM 482 O ASP A 32 8.228 28.136 -0.072 1.00 64.22 O ATOM 483 CB ASP A 32 10.331 29.390 -2.115 1.00 74.03 C ATOM 484 CG ASP A 32 11.345 29.054 -1.041 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.955 28.429 -0.031 1.00 51.42 O1- ATOM 486 OD2 ASP A 32 12.529 29.412 -1.210 1.00 52.31 O ATOM 0 H ASP A 32 9.135 28.978 -4.231 1.00 12.20 H new ATOM 0 HA ASP A 32 9.672 27.345 -2.044 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.842 29.497 -3.072 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.872 30.352 -1.889 1.00 74.03 H new ATOM 491 N GLN A 33 7.105 29.307 -1.632 1.00 13.05 N ATOM 492 CA GLN A 33 5.990 29.625 -0.747 1.00 61.53 C ATOM 493 C GLN A 33 5.074 28.419 -0.570 1.00 21.20 C ATOM 494 O GLN A 33 4.603 28.140 0.532 1.00 62.33 O ATOM 495 CB GLN A 33 5.195 30.808 -1.301 1.00 1.33 C ATOM 496 CG GLN A 33 5.976 32.112 -1.321 1.00 24.41 C ATOM 497 CD GLN A 33 5.417 33.112 -2.313 1.00 55.02 C ATOM 498 OE1 GLN A 33 6.300 33.880 -2.943 1.00 20.05 O flip ATOM 499 NE2 GLN A 33 4.205 33.197 -2.510 1.00 41.24 N flip ATOM 0 H GLN A 33 7.016 29.684 -2.576 1.00 13.05 H new ATOM 0 HA GLN A 33 6.397 29.894 0.228 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.870 30.574 -2.315 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.295 30.943 -0.701 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.967 32.552 -0.324 1.00 24.41 H new ATOM 0 HG3 GLN A 33 7.017 31.904 -1.568 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.562 32.587 -2.004 1.00 41.24 H new ATOM 0 HE22 GLN A 33 3.843 33.877 -3.179 1.00 41.24 H new ATOM 508 N CYS A 34 4.824 27.707 -1.664 1.00 20.44 N ATOM 509 CA CYS A 34 3.965 26.530 -1.632 1.00 42.12 C ATOM 510 C CYS A 34 4.410 25.561 -0.540 1.00 14.23 C ATOM 511 O CYS A 34 5.559 25.127 -0.510 1.00 24.15 O ATOM 512 CB CYS A 34 3.976 25.825 -2.989 1.00 20.31 C ATOM 513 SG CYS A 34 3.107 24.223 -3.004 1.00 43.23 S ATOM 0 H CYS A 34 5.205 27.925 -2.585 1.00 20.44 H new ATOM 0 HA CYS A 34 2.950 26.860 -1.410 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.519 26.481 -3.730 1.00 20.31 H new ATOM 0 HB3 CYS A 34 5.010 25.668 -3.296 1.00 20.31 H new ATOM 518 N CYS A 35 3.488 25.227 0.359 1.00 63.44 N ATOM 519 CA CYS A 35 3.783 24.310 1.454 1.00 62.12 C ATOM 520 C CYS A 35 4.418 23.025 0.930 1.00 75.41 C ATOM 521 O CYS A 35 3.917 22.412 -0.013 1.00 52.33 O ATOM 522 CB CYS A 35 2.506 23.982 2.228 1.00 15.41 C ATOM 523 SG CYS A 35 2.719 23.964 4.038 1.00 54.35 S ATOM 0 H CYS A 35 2.530 25.578 0.350 1.00 63.44 H new ATOM 0 HA CYS A 35 4.491 24.797 2.124 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.739 24.713 1.970 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.139 23.008 1.906 1.00 15.41 H new ATOM 528 N ARG A 36 5.523 22.625 1.549 1.00 74.42 N ATOM 529 CA ARG A 36 6.229 21.414 1.146 1.00 31.31 C ATOM 530 C ARG A 36 5.459 20.168 1.576 1.00 11.50 C ATOM 531 O ARG A 36 4.604 20.212 2.460 1.00 64.44 O ATOM 532 CB ARG A 36 7.634 21.391 1.750 1.00 74.21 C ATOM 533 CG ARG A 36 8.680 22.070 0.881 1.00 33.43 C ATOM 534 CD ARG A 36 8.659 23.580 1.060 1.00 52.41 C ATOM 535 NE ARG A 36 9.984 24.171 0.884 1.00 64.13 N ATOM 536 CZ ARG A 36 10.975 24.024 1.757 1.00 24.21 C ATOM 537 NH1 ARG A 36 10.793 23.311 2.859 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.152 24.592 1.526 1.00 13.25 N ATOM 0 H ARG A 36 5.949 23.121 2.332 1.00 74.42 H new ATOM 0 HA ARG A 36 6.309 21.415 0.059 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.610 21.880 2.724 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.931 20.356 1.920 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.669 21.686 1.133 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.500 21.824 -0.166 1.00 33.43 H new ATOM 0 HD2 ARG A 36 7.967 24.021 0.342 1.00 52.41 H new ATOM 0 HD3 ARG A 36 8.283 23.822 2.054 1.00 52.41 H new ATOM 0 HE ARG A 36 10.157 24.726 0.046 1.00 64.13 H new ATOM 0 HH11 ARG A 36 9.890 22.873 3.040 1.00 61.22 H new ATOM 0 HH12 ARG A 36 11.556 23.200 3.527 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.296 25.141 0.679 1.00 13.25 H new ATOM 0 HH22 ARG A 36 12.913 24.479 2.196 1.00 13.25 H new ATOM 552 N PRO A 37 5.767 19.031 0.936 1.00 2.54 N ATOM 553 CA PRO A 37 5.116 17.752 1.235 1.00 73.11 C ATOM 554 C PRO A 37 5.513 17.205 2.601 1.00 25.00 C ATOM 555 O PRO A 37 6.612 17.471 3.093 1.00 22.30 O ATOM 556 CB PRO A 37 5.621 16.828 0.123 1.00 11.35 C ATOM 557 CG PRO A 37 6.922 17.418 -0.299 1.00 4.20 C ATOM 558 CD PRO A 37 6.776 18.906 -0.129 1.00 42.10 C ATOM 0 HA PRO A 37 4.031 17.846 1.270 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.748 15.807 0.484 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.917 16.787 -0.708 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.741 17.034 0.310 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.148 17.164 -1.334 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.719 19.372 0.155 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.448 19.385 -1.051 1.00 42.10 H new ATOM 566 N TYR A 38 4.615 16.440 3.211 1.00 62.25 N ATOM 567 CA TYR A 38 4.871 15.857 4.523 1.00 14.44 C ATOM 568 C TYR A 38 6.194 15.098 4.533 1.00 34.42 C ATOM 569 O TYR A 38 6.861 15.002 5.564 1.00 11.41 O ATOM 570 CB TYR A 38 3.730 14.920 4.920 1.00 22.13 C ATOM 571 CG TYR A 38 3.671 14.632 6.404 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.576 13.761 6.998 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.711 15.231 7.209 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.525 13.493 8.353 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.653 14.970 8.565 1.00 22.03 C ATOM 576 CZ TYR A 38 3.562 14.100 9.131 1.00 53.42 C ATOM 577 OH TYR A 38 3.509 13.840 10.481 1.00 22.44 O ATOM 0 H TYR A 38 3.703 16.209 2.818 1.00 62.25 H new ATOM 0 HA TYR A 38 4.933 16.669 5.247 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.784 15.360 4.606 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.839 13.979 4.380 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.332 13.285 6.391 1.00 30.11 H new ATOM 0 HD2 TYR A 38 1.998 15.912 6.768 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.235 12.813 8.799 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.901 15.444 9.178 1.00 22.03 H new ATOM 0 HH TYR A 38 2.774 14.348 10.883 1.00 22.44 H new ATOM 587 N ASP A 39 6.570 14.561 3.377 1.00 32.30 N ATOM 588 CA ASP A 39 7.814 13.811 3.250 1.00 33.55 C ATOM 589 C ASP A 39 8.490 14.101 1.913 1.00 15.11 C ATOM 590 O ASP A 39 8.112 13.546 0.881 1.00 13.04 O ATOM 591 CB ASP A 39 7.547 12.312 3.386 1.00 24.25 C ATOM 592 CG ASP A 39 7.554 11.850 4.830 1.00 54.15 C ATOM 593 OD1 ASP A 39 8.442 12.293 5.589 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 6.674 11.046 5.201 1.00 4.51 O ATOM 0 H ASP A 39 6.031 14.631 2.514 1.00 32.30 H new ATOM 0 HA ASP A 39 8.483 14.127 4.051 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.582 12.076 2.937 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.302 11.759 2.827 1.00 24.25 H new ATOM 599 N THR A 40 9.489 14.978 1.938 1.00 42.33 N ATOM 600 CA THR A 40 10.217 15.343 0.730 1.00 51.22 C ATOM 601 C THR A 40 10.826 14.117 0.063 1.00 5.24 C ATOM 602 O THR A 40 11.056 14.104 -1.147 1.00 55.42 O ATOM 603 CB THR A 40 11.333 16.359 1.032 1.00 52.44 C ATOM 604 OG1 THR A 40 11.845 16.147 2.353 1.00 3.03 O ATOM 605 CG2 THR A 40 10.819 17.785 0.905 1.00 32.04 C ATOM 0 H THR A 40 9.812 15.449 2.783 1.00 42.33 H new ATOM 0 HA THR A 40 9.496 15.799 0.052 1.00 51.22 H new ATOM 0 HB THR A 40 12.132 16.213 0.305 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.556 16.796 2.536 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.627 18.484 1.123 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.458 17.953 -0.110 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.003 17.942 1.610 1.00 32.04 H new ATOM 613 N THR A 41 11.087 13.084 0.858 1.00 61.40 N ATOM 614 CA THR A 41 11.672 11.852 0.345 1.00 21.31 C ATOM 615 C THR A 41 10.640 11.031 -0.422 1.00 74.10 C ATOM 616 O THR A 41 10.992 10.125 -1.177 1.00 32.32 O ATOM 617 CB THR A 41 12.255 10.991 1.480 1.00 11.20 C ATOM 618 OG1 THR A 41 12.849 9.804 0.941 1.00 50.03 O ATOM 619 CG2 THR A 41 11.175 10.612 2.482 1.00 40.10 C ATOM 0 H THR A 41 10.902 13.077 1.861 1.00 61.40 H new ATOM 0 HA THR A 41 12.477 12.142 -0.330 1.00 21.31 H new ATOM 0 HB THR A 41 13.017 11.577 1.994 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.431 9.590 0.081 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.611 10.004 3.274 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.745 11.516 2.913 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.394 10.044 1.977 1.00 40.10 H new ATOM 627 N ALA A 42 9.368 11.356 -0.223 1.00 33.42 N ATOM 628 CA ALA A 42 8.284 10.650 -0.897 1.00 33.24 C ATOM 629 C ALA A 42 7.358 11.625 -1.615 1.00 22.22 C ATOM 630 O ALA A 42 6.217 11.291 -1.934 1.00 41.33 O ATOM 631 CB ALA A 42 7.500 9.810 0.099 1.00 72.43 C ATOM 0 H ALA A 42 9.062 12.104 0.399 1.00 33.42 H new ATOM 0 HA ALA A 42 8.723 9.989 -1.644 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.695 9.289 -0.419 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.164 9.081 0.563 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.078 10.457 0.868 1.00 72.43 H new ATOM 637 N ALA A 43 7.854 12.832 -1.865 1.00 12.24 N ATOM 638 CA ALA A 43 7.071 13.855 -2.546 1.00 72.33 C ATOM 639 C ALA A 43 7.883 15.130 -2.741 1.00 51.10 C ATOM 640 O ALA A 43 8.985 15.263 -2.209 1.00 33.12 O ATOM 641 CB ALA A 43 5.798 14.151 -1.768 1.00 43.44 C ATOM 0 H ALA A 43 8.796 13.125 -1.606 1.00 12.24 H new ATOM 0 HA ALA A 43 6.801 13.474 -3.531 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.223 14.917 -2.289 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.202 13.242 -1.687 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.056 14.506 -0.770 1.00 43.44 H new ATOM 647 N PHE A 44 7.333 16.066 -3.506 1.00 14.41 N ATOM 648 CA PHE A 44 8.007 17.332 -3.773 1.00 61.30 C ATOM 649 C PHE A 44 7.021 18.495 -3.723 1.00 33.54 C ATOM 650 O PHE A 44 5.823 18.299 -3.517 1.00 25.14 O ATOM 651 CB PHE A 44 8.696 17.289 -5.138 1.00 4.30 C ATOM 652 CG PHE A 44 7.821 16.750 -6.233 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.733 15.386 -6.460 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.088 17.607 -7.038 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.930 14.887 -7.468 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.283 17.115 -8.047 1.00 31.10 C ATOM 657 CZ PHE A 44 6.203 15.752 -8.262 1.00 44.43 C ATOM 0 H PHE A 44 6.421 15.972 -3.953 1.00 14.41 H new ATOM 0 HA PHE A 44 8.759 17.485 -2.999 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.020 18.295 -5.405 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.593 16.674 -5.064 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.299 14.705 -5.842 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.147 18.673 -6.875 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.871 13.822 -7.635 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.717 17.794 -8.667 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.573 15.364 -9.049 1.00 44.43 H new ATOM 667 N HIS A 45 7.535 19.706 -3.913 1.00 30.01 N ATOM 668 CA HIS A 45 6.699 20.902 -3.890 1.00 13.52 C ATOM 669 C HIS A 45 6.914 21.738 -5.149 1.00 32.25 C ATOM 670 O HIS A 45 7.838 21.490 -5.920 1.00 34.05 O ATOM 671 CB HIS A 45 7.007 21.741 -2.650 1.00 41.02 C ATOM 672 CG HIS A 45 8.293 22.504 -2.745 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.519 21.954 -2.438 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.538 23.781 -3.119 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.462 22.860 -2.616 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.894 23.978 -3.031 1.00 4.31 N ATOM 0 H HIS A 45 8.524 19.885 -4.084 1.00 30.01 H new ATOM 0 HA HIS A 45 5.656 20.586 -3.857 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.190 22.443 -2.484 1.00 41.02 H new ATOM 0 HB3 HIS A 45 7.046 21.086 -1.779 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.804 24.510 -3.429 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.519 22.712 -2.450 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.383 24.846 -3.250 1.00 4.31 H new ATOM 684 N GLY A 46 6.049 22.728 -5.350 1.00 15.53 N ATOM 685 CA GLY A 46 6.159 23.584 -6.516 1.00 51.15 C ATOM 686 C GLY A 46 4.891 24.370 -6.781 1.00 30.33 C ATOM 687 O GLY A 46 3.823 24.029 -6.273 1.00 1.11 O ATOM 0 H GLY A 46 5.274 22.952 -4.726 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.989 24.276 -6.377 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.394 22.975 -7.389 1.00 51.15 H new ATOM 691 N CYS A 47 5.007 25.427 -7.577 1.00 73.31 N ATOM 692 CA CYS A 47 3.863 26.266 -7.908 1.00 12.40 C ATOM 693 C CYS A 47 3.509 26.147 -9.388 1.00 61.22 C ATOM 694 O CYS A 47 4.335 26.419 -10.258 1.00 61.52 O ATOM 695 CB CYS A 47 4.155 27.727 -7.559 1.00 0.44 C ATOM 696 SG CYS A 47 3.601 28.220 -5.896 1.00 52.01 S ATOM 0 H CYS A 47 5.884 25.723 -8.005 1.00 73.31 H new ATOM 0 HA CYS A 47 3.012 25.922 -7.320 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.228 27.901 -7.639 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.672 28.369 -8.296 1.00 0.44 H new ATOM 701 N GLY A 48 2.275 25.736 -9.664 1.00 51.40 N ATOM 702 CA GLY A 48 1.833 25.587 -11.038 1.00 22.12 C ATOM 703 C GLY A 48 0.407 25.083 -11.139 1.00 74.05 C ATOM 704 O GLY A 48 -0.324 25.070 -10.148 1.00 74.34 O ATOM 0 H GLY A 48 1.574 25.504 -8.961 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.912 26.547 -11.548 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.497 24.895 -11.557 1.00 22.12 H new ATOM 708 N ARG A 49 0.011 24.668 -12.337 1.00 34.44 N ATOM 709 CA ARG A 49 -1.338 24.163 -12.562 1.00 43.42 C ATOM 710 C ARG A 49 -1.303 22.719 -13.053 1.00 72.42 C ATOM 711 O ARG A 49 -0.659 22.409 -14.055 1.00 32.25 O ATOM 712 CB ARG A 49 -2.072 25.040 -13.580 1.00 63.11 C ATOM 713 CG ARG A 49 -2.130 26.508 -13.188 1.00 51.12 C ATOM 714 CD ARG A 49 -2.100 27.412 -14.411 1.00 22.53 C ATOM 715 NE ARG A 49 -0.769 27.477 -15.010 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.376 28.454 -15.820 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.205 29.443 -16.123 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.851 28.444 -16.327 1.00 63.11 N ATOM 0 H ARG A 49 0.604 24.671 -13.167 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.873 24.194 -11.613 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.578 24.950 -14.548 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.088 24.665 -13.704 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.038 26.698 -12.616 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.288 26.746 -12.538 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.813 27.046 -15.150 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.420 28.415 -14.129 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.106 26.732 -14.795 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -2.148 29.455 -15.734 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.900 30.192 -16.745 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.493 27.686 -16.095 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.152 29.194 -16.949 1.00 63.11 H new ATOM 732 N ILE A 50 -1.999 21.840 -12.340 1.00 45.20 N ATOM 733 CA ILE A 50 -2.047 20.429 -12.702 1.00 24.22 C ATOM 734 C ILE A 50 -3.484 19.966 -12.918 1.00 32.02 C ATOM 735 O ILE A 50 -3.777 18.771 -12.869 1.00 4.22 O ATOM 736 CB ILE A 50 -1.393 19.547 -11.622 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.948 19.898 -10.241 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.119 19.711 -11.649 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.720 18.819 -9.205 1.00 33.13 C ATOM 0 H ILE A 50 -2.538 22.080 -11.508 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.489 20.323 -13.632 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.630 18.504 -11.833 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.486 20.824 -9.897 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.018 20.088 -10.326 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.567 19.082 -10.880 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.500 19.416 -12.627 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.375 20.753 -11.459 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.140 19.137 -8.250 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.206 17.898 -9.526 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.650 18.644 -9.091 1.00 33.13 H new ATOM 751 N TRP A 51 -4.377 20.919 -13.160 1.00 65.10 N ATOM 752 CA TRP A 51 -5.784 20.609 -13.387 1.00 64.31 C ATOM 753 C TRP A 51 -6.401 21.582 -14.385 1.00 21.13 C ATOM 754 O TRP A 51 -5.931 22.705 -14.566 1.00 63.40 O ATOM 755 CB TRP A 51 -6.556 20.654 -12.066 1.00 25.32 C ATOM 756 CG TRP A 51 -6.215 19.526 -11.141 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.632 19.624 -9.908 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.433 18.129 -11.373 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.476 18.374 -9.362 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.959 17.439 -10.239 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.983 17.397 -12.427 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.021 16.053 -10.135 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.043 16.020 -12.321 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.565 15.359 -11.181 1.00 32.35 C ATOM 0 H TRP A 51 -4.152 21.913 -13.204 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.847 19.603 -13.803 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.350 21.600 -11.565 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.625 20.631 -12.277 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.338 20.548 -9.434 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.066 18.174 -8.450 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.355 17.897 -13.309 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.652 15.542 -9.258 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.466 15.443 -13.131 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.627 14.282 -11.127 1.00 32.35 H new ATOM 775 N PRO A 52 -7.483 21.145 -15.048 1.00 33.22 N ATOM 776 CA PRO A 52 -8.189 21.961 -16.038 1.00 11.42 C ATOM 777 C PRO A 52 -8.933 23.130 -15.401 1.00 61.34 C ATOM 778 O PRO A 52 -9.016 24.216 -15.976 1.00 42.35 O ATOM 779 CB PRO A 52 -9.179 20.979 -16.669 1.00 73.34 C ATOM 780 CG PRO A 52 -9.401 19.942 -15.624 1.00 72.40 C ATOM 781 CD PRO A 52 -8.098 19.817 -14.881 1.00 33.43 C ATOM 0 HA PRO A 52 -7.504 22.415 -16.754 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -10.111 21.475 -16.939 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.775 20.541 -17.582 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.208 20.233 -14.951 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.687 18.991 -16.073 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.256 19.576 -13.830 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.471 19.028 -15.298 1.00 33.43 H new ATOM 789 N LYS A 53 -9.472 22.903 -14.208 1.00 42.35 N ATOM 790 CA LYS A 53 -10.207 23.938 -13.491 1.00 54.32 C ATOM 791 C LYS A 53 -9.342 25.177 -13.285 1.00 33.53 C ATOM 792 O LYS A 53 -9.811 26.305 -13.439 1.00 74.30 O ATOM 793 CB LYS A 53 -10.684 23.406 -12.137 1.00 22.44 C ATOM 794 CG LYS A 53 -12.069 23.893 -11.747 1.00 55.12 C ATOM 795 CD LYS A 53 -12.699 22.995 -10.694 1.00 65.22 C ATOM 796 CE LYS A 53 -13.041 21.626 -11.262 1.00 22.10 C ATOM 797 NZ LYS A 53 -13.851 20.818 -10.310 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.414 22.011 -13.717 1.00 42.35 H new ATOM 0 HA LYS A 53 -11.072 24.217 -14.092 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.685 22.316 -12.164 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -9.973 23.705 -11.367 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.004 24.912 -11.366 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -12.707 23.923 -12.630 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -12.014 22.881 -9.854 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -13.603 23.465 -10.306 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -13.591 21.747 -12.195 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.121 21.092 -11.501 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.064 19.892 -10.734 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -13.316 20.681 -9.429 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.740 21.316 -10.101 1.00 32.33 H new ATOM 811 N ASP A 54 -8.078 24.962 -12.941 1.00 52.15 N ATOM 812 CA ASP A 54 -7.147 26.060 -12.719 1.00 1.22 C ATOM 813 C ASP A 54 -6.632 26.614 -14.044 1.00 22.44 C ATOM 814 O ASP A 54 -6.293 27.793 -14.148 1.00 3.21 O ATOM 815 CB ASP A 54 -5.973 25.597 -11.855 1.00 23.13 C ATOM 816 CG ASP A 54 -6.408 25.173 -10.466 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.632 25.086 -10.228 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.527 24.929 -9.615 1.00 52.31 O ATOM 0 H ASP A 54 -7.674 24.035 -12.810 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.681 26.854 -12.197 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.471 24.763 -12.346 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.245 26.404 -11.774 1.00 23.13 H new ATOM 823 N LYS A 55 -6.574 25.754 -15.055 1.00 0.11 N ATOM 824 CA LYS A 55 -6.100 26.155 -16.374 1.00 71.30 C ATOM 825 C LYS A 55 -6.966 27.272 -16.947 1.00 30.04 C ATOM 826 O LYS A 55 -6.452 28.267 -17.460 1.00 33.44 O ATOM 827 CB LYS A 55 -6.103 24.955 -17.326 1.00 4.34 C ATOM 828 CG LYS A 55 -5.105 25.079 -18.463 1.00 61.13 C ATOM 829 CD LYS A 55 -4.721 23.719 -19.020 1.00 32.24 C ATOM 830 CE LYS A 55 -3.348 23.749 -19.673 1.00 73.20 C ATOM 831 NZ LYS A 55 -3.230 22.743 -20.764 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.850 24.774 -14.986 1.00 0.11 H new ATOM 0 HA LYS A 55 -5.081 26.526 -16.269 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.884 24.051 -16.758 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -7.103 24.835 -17.743 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -5.532 25.691 -19.258 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.212 25.594 -18.109 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -4.727 22.982 -18.217 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -5.465 23.401 -19.750 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -3.159 24.744 -20.075 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -2.583 23.559 -18.920 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -2.280 22.796 -21.183 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.385 21.791 -20.376 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -3.943 22.939 -21.496 1.00 23.02 H new ATOM 845 N ARG A 56 -8.281 27.103 -16.855 1.00 42.23 N ATOM 846 CA ARG A 56 -9.216 28.099 -17.364 1.00 60.15 C ATOM 847 C ARG A 56 -8.981 29.454 -16.702 1.00 33.12 C ATOM 848 O ARG A 56 -9.309 30.497 -17.267 1.00 23.12 O ATOM 849 CB ARG A 56 -10.657 27.646 -17.121 1.00 63.23 C ATOM 850 CG ARG A 56 -11.128 27.850 -15.691 1.00 4.43 C ATOM 851 CD ARG A 56 -12.045 26.722 -15.240 1.00 71.40 C ATOM 852 NE ARG A 56 -13.437 26.970 -15.602 1.00 11.52 N ATOM 853 CZ ARG A 56 -14.406 26.073 -15.454 1.00 41.21 C ATOM 854 NH1 ARG A 56 -14.134 24.874 -14.954 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -15.650 26.374 -15.805 1.00 63.40 N ATOM 0 H ARG A 56 -8.723 26.286 -16.433 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.049 28.203 -18.436 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -11.319 28.192 -17.794 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.744 26.590 -17.376 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.265 27.907 -15.027 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -11.654 28.802 -15.612 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -11.715 25.785 -15.689 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -11.967 26.602 -14.159 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.679 27.882 -15.990 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -13.179 24.639 -14.682 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -14.880 24.187 -14.841 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -15.863 27.295 -16.189 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -16.393 25.685 -15.691 1.00 63.40 H new ATOM 869 N GLU A 57 -8.413 29.430 -15.501 1.00 1.14 N ATOM 870 CA GLU A 57 -8.135 30.657 -14.762 1.00 73.50 C ATOM 871 C GLU A 57 -6.741 31.184 -15.090 1.00 75.12 C ATOM 872 O GLU A 57 -6.456 32.370 -14.913 1.00 65.11 O ATOM 873 CB GLU A 57 -8.259 30.412 -13.257 1.00 24.12 C ATOM 874 CG GLU A 57 -9.683 30.518 -12.738 1.00 62.23 C ATOM 875 CD GLU A 57 -9.749 30.591 -11.226 1.00 4.11 C ATOM 876 OE1 GLU A 57 -8.876 31.252 -10.625 1.00 2.34 O ATOM 877 OE2 GLU A 57 -10.675 29.990 -10.643 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.136 28.575 -15.018 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.868 31.406 -15.062 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.870 29.420 -13.026 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.634 31.131 -12.728 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.155 31.404 -13.162 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.256 29.657 -13.082 1.00 62.23 H new ATOM 884 N LYS A 58 -5.876 30.297 -15.568 1.00 50.53 N ATOM 885 CA LYS A 58 -4.511 30.672 -15.921 1.00 42.02 C ATOM 886 C LYS A 58 -3.778 31.253 -14.717 1.00 73.23 C ATOM 887 O LYS A 58 -3.208 32.341 -14.790 1.00 73.04 O ATOM 888 CB LYS A 58 -4.520 31.689 -17.066 1.00 61.50 C ATOM 889 CG LYS A 58 -5.085 31.139 -18.363 1.00 44.31 C ATOM 890 CD LYS A 58 -3.993 30.548 -19.241 1.00 22.35 C ATOM 891 CE LYS A 58 -3.806 29.062 -18.973 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.905 28.428 -19.975 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.095 29.313 -15.720 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.986 29.773 -16.245 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.105 32.558 -16.764 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.501 32.035 -17.241 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.829 30.374 -18.141 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.597 31.934 -18.904 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.246 30.701 -20.290 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.055 31.073 -19.060 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.394 28.922 -17.974 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.776 28.565 -18.990 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -2.803 27.416 -19.759 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -3.311 28.539 -20.926 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -1.972 28.885 -19.941 1.00 3.31 H new ATOM 906 N VAL A 59 -3.795 30.518 -13.609 1.00 2.35 N ATOM 907 CA VAL A 59 -3.127 30.959 -12.389 1.00 3.13 C ATOM 908 C VAL A 59 -2.384 29.808 -11.723 1.00 32.04 C ATOM 909 O VAL A 59 -2.958 28.750 -11.466 1.00 24.43 O ATOM 910 CB VAL A 59 -4.132 31.557 -11.385 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.197 30.533 -11.023 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.410 32.051 -10.141 1.00 61.33 C ATOM 0 H VAL A 59 -4.264 29.615 -13.531 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.412 31.729 -12.679 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.626 32.409 -11.853 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -5.898 30.972 -10.313 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.733 30.232 -11.923 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.724 29.660 -10.573 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.134 32.470 -9.442 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -2.889 31.219 -9.668 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.688 32.819 -10.420 1.00 61.33 H new ATOM 922 N ASP A 60 -1.102 30.021 -11.446 1.00 14.15 N ATOM 923 CA ASP A 60 -0.279 29.001 -10.806 1.00 22.51 C ATOM 924 C ASP A 60 -0.600 28.897 -9.318 1.00 13.20 C ATOM 925 O ASP A 60 -0.443 29.862 -8.570 1.00 44.21 O ATOM 926 CB ASP A 60 1.205 29.319 -11.000 1.00 60.44 C ATOM 927 CG ASP A 60 1.642 29.188 -12.445 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.830 29.505 -13.341 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.793 28.771 -12.682 1.00 43.53 O1- ATOM 0 H ASP A 60 -0.611 30.890 -11.654 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.502 28.042 -11.274 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.404 30.333 -10.654 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.801 28.648 -10.381 1.00 60.44 H new ATOM 934 N ARG A 61 -1.049 27.720 -8.896 1.00 3.03 N ATOM 935 CA ARG A 61 -1.394 27.490 -7.499 1.00 14.00 C ATOM 936 C ARG A 61 -0.495 26.420 -6.886 1.00 1.23 C ATOM 937 O ARG A 61 0.081 25.596 -7.597 1.00 63.34 O ATOM 938 CB ARG A 61 -2.860 27.071 -7.375 1.00 5.22 C ATOM 939 CG ARG A 61 -3.828 28.039 -8.037 1.00 53.15 C ATOM 940 CD ARG A 61 -5.137 28.129 -7.271 1.00 54.13 C ATOM 941 NE ARG A 61 -6.061 27.059 -7.637 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.288 26.945 -7.138 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.734 27.829 -6.259 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.068 25.944 -7.522 1.00 12.20 N ATOM 0 H ARG A 61 -1.182 26.910 -9.502 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.243 28.423 -6.956 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.986 26.084 -7.819 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.115 26.980 -6.319 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.372 29.027 -8.097 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.025 27.716 -9.059 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.935 28.083 -6.201 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.605 29.094 -7.465 1.00 54.13 H new ATOM 0 HE ARG A 61 -5.748 26.361 -8.312 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -7.136 28.600 -5.963 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.676 27.739 -5.878 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -7.727 25.262 -8.200 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.010 25.856 -7.140 1.00 12.20 H new ATOM 958 N CYS A 62 -0.380 26.439 -5.562 1.00 42.04 N ATOM 959 CA CYS A 62 0.449 25.471 -4.852 1.00 0.35 C ATOM 960 C CYS A 62 -0.029 24.048 -5.117 1.00 41.03 C ATOM 961 O CYS A 62 -1.220 23.750 -5.015 1.00 41.35 O ATOM 962 CB CYS A 62 0.426 25.757 -3.350 1.00 62.15 C ATOM 963 SG CYS A 62 1.250 24.483 -2.339 1.00 73.51 S ATOM 0 H CYS A 62 -0.850 27.114 -4.959 1.00 42.04 H new ATOM 0 HA CYS A 62 1.471 25.566 -5.219 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.906 26.718 -3.166 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.610 25.851 -3.024 1.00 62.15 H new ATOM 968 N TYR A 63 0.906 23.169 -5.459 1.00 45.52 N ATOM 969 CA TYR A 63 0.582 21.776 -5.742 1.00 14.20 C ATOM 970 C TYR A 63 1.606 20.839 -5.110 1.00 21.05 C ATOM 971 O TYR A 63 2.771 21.199 -4.938 1.00 3.33 O ATOM 972 CB TYR A 63 0.523 21.541 -7.252 1.00 45.41 C ATOM 973 CG TYR A 63 1.880 21.522 -7.916 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.619 20.348 -8.003 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.427 22.680 -8.458 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.861 20.327 -8.607 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.666 22.667 -9.067 1.00 13.22 C ATOM 978 CZ TYR A 63 4.380 21.489 -9.138 1.00 70.24 C ATOM 979 OH TYR A 63 5.616 21.472 -9.742 1.00 43.32 O ATOM 0 H TYR A 63 1.896 23.397 -5.547 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.395 21.562 -5.309 1.00 14.20 H new ATOM 0 HB2 TYR A 63 0.021 20.593 -7.444 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.085 22.322 -7.709 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.215 19.435 -7.591 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.873 23.605 -8.402 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.422 19.406 -8.663 1.00 53.34 H new ATOM 0 HE2 TYR A 63 4.074 23.575 -9.486 1.00 13.22 H new ATOM 0 HH TYR A 63 5.835 22.371 -10.064 1.00 43.32 H new ATOM 989 N ILE A 64 1.163 19.635 -4.765 1.00 55.33 N ATOM 990 CA ILE A 64 2.041 18.644 -4.155 1.00 5.43 C ATOM 991 C ILE A 64 1.721 17.241 -4.658 1.00 12.54 C ATOM 992 O ILE A 64 0.586 16.774 -4.551 1.00 4.15 O ATOM 993 CB ILE A 64 1.929 18.664 -2.619 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.314 20.042 -2.075 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.808 17.584 -2.008 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.180 20.157 -0.574 1.00 11.12 C ATOM 0 H ILE A 64 0.201 19.322 -4.897 1.00 55.33 H new ATOM 0 HA ILE A 64 3.060 18.906 -4.441 1.00 5.43 H new ATOM 0 HB ILE A 64 0.894 18.461 -2.344 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.344 20.261 -2.358 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.687 20.798 -2.547 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.717 17.612 -0.922 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.491 16.607 -2.374 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.847 17.758 -2.290 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.469 21.159 -0.259 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.146 19.970 -0.286 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.828 19.424 -0.094 1.00 11.12 H new ATOM 1008 N CYS A 65 2.730 16.571 -5.206 1.00 21.21 N ATOM 1009 CA CYS A 65 2.557 15.219 -5.725 1.00 73.21 C ATOM 1010 C CYS A 65 3.528 14.250 -5.054 1.00 10.41 C ATOM 1011 O CYS A 65 4.544 14.661 -4.498 1.00 53.41 O ATOM 1012 CB CYS A 65 2.767 15.202 -7.241 1.00 24.12 C ATOM 1013 SG CYS A 65 1.513 16.135 -8.175 1.00 3.43 S ATOM 0 H CYS A 65 3.675 16.942 -5.302 1.00 21.21 H new ATOM 0 HA CYS A 65 1.539 14.898 -5.502 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.752 15.612 -7.465 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.767 14.168 -7.586 1.00 24.12 H new ATOM 1018 N ASN A 66 3.206 12.962 -5.113 1.00 44.32 N ATOM 1019 CA ASN A 66 4.049 11.936 -4.512 1.00 53.41 C ATOM 1020 C ASN A 66 5.319 11.728 -5.331 1.00 40.54 C ATOM 1021 O ASN A 66 5.405 12.151 -6.483 1.00 42.44 O ATOM 1022 CB ASN A 66 3.280 10.618 -4.399 1.00 4.34 C ATOM 1023 CG ASN A 66 2.877 10.065 -5.752 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.880 10.781 -6.753 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.528 8.785 -5.788 1.00 12.22 N ATOM 0 H ASN A 66 2.368 12.604 -5.571 1.00 44.32 H new ATOM 0 HA ASN A 66 4.332 12.271 -3.514 1.00 53.41 H new ATOM 0 HB2 ASN A 66 3.896 9.885 -3.879 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.388 10.772 -3.792 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.248 8.357 -6.671 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.540 8.229 -4.933 1.00 12.22 H new ATOM 1032 N ASN A 67 6.304 11.072 -4.726 1.00 11.55 N ATOM 1033 CA ASN A 67 7.572 10.807 -5.399 1.00 15.23 C ATOM 1034 C ASN A 67 7.352 10.006 -6.680 1.00 64.24 C ATOM 1035 O ASN A 67 8.113 10.132 -7.639 1.00 61.44 O ATOM 1036 CB ASN A 67 8.519 10.048 -4.467 1.00 20.14 C ATOM 1037 CG ASN A 67 8.042 8.637 -4.183 1.00 74.45 C ATOM 1038 OD1 ASN A 67 8.433 7.689 -4.862 1.00 73.43 O ATOM 1039 ND2 ASN A 67 7.191 8.493 -3.172 1.00 24.13 N ATOM 0 H ASN A 67 6.249 10.714 -3.772 1.00 11.55 H new ATOM 0 HA ASN A 67 8.021 11.764 -5.663 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.512 10.010 -4.915 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.614 10.593 -3.528 1.00 20.14 H new ATOM 0 HD21 ASN A 67 6.835 7.567 -2.933 1.00 24.13 H new ATOM 0 HD22 ASN A 67 6.894 9.308 -2.636 1.00 24.13 H new ATOM 1046 N GLU A 68 6.306 9.187 -6.687 1.00 2.34 N ATOM 1047 CA GLU A 68 5.985 8.368 -7.848 1.00 64.21 C ATOM 1048 C GLU A 68 5.289 9.197 -8.923 1.00 23.15 C ATOM 1049 O GLU A 68 5.097 8.738 -10.051 1.00 62.10 O ATOM 1050 CB GLU A 68 5.095 7.191 -7.441 1.00 13.03 C ATOM 1051 CG GLU A 68 5.587 6.457 -6.204 1.00 32.42 C ATOM 1052 CD GLU A 68 4.966 5.080 -6.057 1.00 43.55 C ATOM 1053 OE1 GLU A 68 3.991 4.789 -6.780 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.458 4.294 -5.221 1.00 63.23 O1- ATOM 0 H GLU A 68 5.666 9.073 -5.901 1.00 2.34 H new ATOM 0 HA GLU A 68 6.919 7.983 -8.257 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.084 7.556 -7.259 1.00 13.03 H new ATOM 0 HB3 GLU A 68 5.035 6.487 -8.271 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.672 6.359 -6.251 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.359 7.051 -5.319 1.00 32.42 H new ATOM 1061 N LYS A 69 4.912 10.420 -8.568 1.00 71.44 N ATOM 1062 CA LYS A 69 4.238 11.315 -9.501 1.00 40.30 C ATOM 1063 C LYS A 69 2.987 10.659 -10.076 1.00 12.13 C ATOM 1064 O LYS A 69 2.580 10.953 -11.201 1.00 32.33 O ATOM 1065 CB LYS A 69 5.186 11.712 -10.635 1.00 41.01 C ATOM 1066 CG LYS A 69 6.140 12.836 -10.266 1.00 21.00 C ATOM 1067 CD LYS A 69 7.293 12.934 -11.251 1.00 71.15 C ATOM 1068 CE LYS A 69 8.518 13.573 -10.612 1.00 4.11 C ATOM 1069 NZ LYS A 69 9.707 13.507 -11.506 1.00 61.00 N1+ ATOM 0 H LYS A 69 5.062 10.815 -7.640 1.00 71.44 H new ATOM 0 HA LYS A 69 3.940 12.210 -8.955 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.765 10.839 -10.935 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.597 12.016 -11.500 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.598 13.782 -10.243 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.531 12.668 -9.262 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.548 11.939 -11.615 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.985 13.520 -12.117 1.00 71.15 H new ATOM 0 HE2 LYS A 69 8.301 14.614 -10.372 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.742 13.069 -9.672 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 10.520 13.952 -11.035 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 9.930 12.513 -11.715 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 9.503 14.010 -12.393 1.00 61.00 H new ATOM 1083 N THR A 70 2.379 9.770 -9.297 1.00 30.31 N ATOM 1084 CA THR A 70 1.174 9.074 -9.729 1.00 22.31 C ATOM 1085 C THR A 70 -0.074 9.713 -9.132 1.00 43.33 C ATOM 1086 O THR A 70 -1.121 9.775 -9.778 1.00 43.31 O ATOM 1087 CB THR A 70 1.213 7.586 -9.334 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.142 7.455 -7.909 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.483 6.923 -9.846 1.00 43.40 C ATOM 0 H THR A 70 2.702 9.515 -8.364 1.00 30.31 H new ATOM 0 HA THR A 70 1.136 9.154 -10.815 1.00 22.31 H new ATOM 0 HB THR A 70 0.355 7.090 -9.788 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.621 6.647 -7.631 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.488 5.873 -9.555 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.520 6.998 -10.933 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.352 7.422 -9.418 1.00 43.40 H new ATOM 1097 N LEU A 71 0.043 10.189 -7.898 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.078 10.826 -7.213 1.00 63.21 C ATOM 1099 C LEU A 71 -0.769 12.288 -6.910 1.00 74.32 C ATOM 1100 O LEU A 71 0.374 12.648 -6.629 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.399 10.081 -5.917 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.793 10.316 -5.336 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.778 9.291 -5.877 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.753 10.267 -3.816 1.00 23.13 C ATOM 0 H LEU A 71 0.902 10.146 -7.350 1.00 55.15 H new ATOM 0 HA LEU A 71 -1.946 10.786 -7.872 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.277 9.013 -6.096 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.662 10.365 -5.166 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.128 11.308 -5.640 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.765 9.475 -5.452 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.830 9.374 -6.963 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.447 8.289 -5.605 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.754 10.436 -3.420 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.396 9.289 -3.493 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.080 11.040 -3.445 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.799 13.128 -6.968 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.640 14.551 -6.697 1.00 32.24 C ATOM 1118 C CYS A 72 -2.881 15.118 -6.015 1.00 44.23 C ATOM 1119 O CYS A 72 -3.946 14.497 -6.023 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.366 15.312 -7.997 1.00 15.44 C ATOM 1121 SG CYS A 72 0.159 14.801 -8.850 1.00 43.01 S ATOM 0 H CYS A 72 -2.752 12.847 -7.200 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.790 14.674 -6.025 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.211 15.173 -8.672 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.306 16.378 -7.776 1.00 15.44 H new ATOM 1126 N THR A 73 -2.740 16.301 -5.426 1.00 61.13 N ATOM 1127 CA THR A 73 -3.849 16.951 -4.739 1.00 22.22 C ATOM 1128 C THR A 73 -5.068 17.062 -5.646 1.00 44.15 C ATOM 1129 O THR A 73 -4.947 17.375 -6.830 1.00 61.12 O ATOM 1130 CB THR A 73 -3.457 18.359 -4.249 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.373 18.868 -5.032 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.060 18.329 -2.781 1.00 55.11 C ATOM 0 H THR A 73 -1.868 16.829 -5.411 1.00 61.13 H new ATOM 0 HA THR A 73 -4.096 16.330 -3.878 1.00 22.22 H new ATOM 0 HB THR A 73 -4.322 19.012 -4.362 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.132 19.763 -4.714 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.787 19.333 -2.457 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.899 17.971 -2.184 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.209 17.661 -2.648 1.00 55.11 H new ATOM 1140 N SER A 74 -6.244 16.805 -5.083 1.00 30.10 N ATOM 1141 CA SER A 74 -7.487 16.871 -5.843 1.00 62.43 C ATOM 1142 C SER A 74 -7.678 18.259 -6.449 1.00 35.40 C ATOM 1143 O SER A 74 -7.135 19.245 -5.954 1.00 60.23 O ATOM 1144 CB SER A 74 -8.677 16.528 -4.946 1.00 23.42 C ATOM 1145 OG SER A 74 -9.899 16.920 -5.546 1.00 21.12 O ATOM 0 H SER A 74 -6.362 16.549 -4.103 1.00 30.10 H new ATOM 0 HA SER A 74 -7.429 16.143 -6.652 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.692 15.456 -4.751 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.565 17.026 -3.983 1.00 23.42 H new ATOM 0 HG SER A 74 -10.644 16.688 -4.953 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.453 18.324 -7.527 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.717 19.589 -8.203 1.00 11.13 C ATOM 1153 C VAL A 75 -9.461 20.556 -7.288 1.00 25.41 C ATOM 1154 O VAL A 75 -9.376 21.772 -7.455 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.541 19.377 -9.487 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.924 18.840 -9.152 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.641 20.675 -10.275 1.00 0.01 C ATOM 0 H VAL A 75 -8.909 17.516 -7.951 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.749 20.015 -8.467 1.00 11.13 H new ATOM 0 HB VAL A 75 -9.032 18.639 -10.107 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.491 18.697 -10.072 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.828 17.887 -8.632 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.445 19.551 -8.511 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.226 20.508 -11.179 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.127 21.435 -9.664 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.641 21.013 -10.547 1.00 0.01 H new ATOM 1167 N MET A 76 -10.187 20.006 -6.322 1.00 43.31 N ATOM 1168 CA MET A 76 -10.945 20.821 -5.378 1.00 43.13 C ATOM 1169 C MET A 76 -10.099 21.166 -4.155 1.00 51.03 C ATOM 1170 O MET A 76 -10.412 20.756 -3.037 1.00 70.34 O ATOM 1171 CB MET A 76 -12.215 20.088 -4.943 1.00 71.42 C ATOM 1172 CG MET A 76 -13.134 19.728 -6.100 1.00 32.35 C ATOM 1173 SD MET A 76 -14.751 19.153 -5.547 1.00 71.52 S ATOM 1174 CE MET A 76 -14.351 17.500 -4.987 1.00 75.53 C ATOM 0 H MET A 76 -10.267 19.000 -6.171 1.00 43.31 H new ATOM 0 HA MET A 76 -11.223 21.748 -5.879 1.00 43.13 H new ATOM 0 HB2 MET A 76 -11.936 19.177 -4.414 1.00 71.42 H new ATOM 0 HB3 MET A 76 -12.761 20.712 -4.236 1.00 71.42 H new ATOM 0 HG2 MET A 76 -13.262 20.599 -6.742 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.664 18.953 -6.705 1.00 32.35 H new ATOM 0 HE1 MET A 76 -15.253 17.014 -4.614 1.00 75.53 H new ATOM 0 HE2 MET A 76 -13.944 16.923 -5.818 1.00 75.53 H new ATOM 0 HE3 MET A 76 -13.612 17.556 -4.188 1.00 75.53 H new TER 1184 MET A 76