USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 3 MET CE :methyl -136:sc= -0.136 (180deg=-2.45) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 33:sc= 0.278 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -155:sc= -0.424 (180deg=-0.749) USER MOD Single : A 43 GLN : amide:sc= -4.77! C(o=-4.8!,f=-6.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0887 X(o=-0.089,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0492 (180deg=-0.342) USER MOD Single : A 68 TYR OH : rot -153:sc= 0.507 USER MOD Single : A 69 HIS :FLIP no HE2:sc= -0.0299 F(o=-3.3!,f=-0.03) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -57.275 49.431 -13.395 1.00 62.51 N ATOM 2 CA GLY A 1 -55.880 49.792 -13.220 1.00 4.00 C ATOM 3 C GLY A 1 -55.626 51.263 -13.483 1.00 1.04 C ATOM 4 O GLY A 1 -55.109 51.633 -14.538 1.00 64.51 O ATOM 0 H1 GLY A 1 -57.398 48.416 -13.204 1.00 62.51 H new ATOM 0 H2 GLY A 1 -57.861 49.981 -12.735 1.00 62.51 H new ATOM 0 H3 GLY A 1 -57.567 49.637 -14.372 1.00 62.51 H new ATOM 0 HA2 GLY A 1 -55.569 49.549 -12.204 1.00 4.00 H new ATOM 0 HA3 GLY A 1 -55.266 49.194 -13.893 1.00 4.00 H new ATOM 8 N HIS A 2 -55.989 52.107 -12.521 1.00 45.43 N ATOM 9 CA HIS A 2 -55.798 53.547 -12.656 1.00 33.33 C ATOM 10 C HIS A 2 -54.377 53.944 -12.268 1.00 63.01 C ATOM 11 O HIS A 2 -53.629 53.141 -11.712 1.00 13.11 O ATOM 12 CB HIS A 2 -56.806 54.300 -11.785 1.00 3.00 C ATOM 13 CG HIS A 2 -57.520 55.398 -12.512 1.00 64.21 C ATOM 14 ND1 HIS A 2 -57.040 56.688 -12.586 1.00 23.42 N ATOM 15 CD2 HIS A 2 -58.686 55.390 -13.199 1.00 11.20 C ATOM 16 CE1 HIS A 2 -57.881 57.428 -13.286 1.00 4.34 C ATOM 17 NE2 HIS A 2 -58.888 56.664 -13.670 1.00 5.40 N ATOM 0 H HIS A 2 -56.416 51.819 -11.641 1.00 45.43 H new ATOM 0 HA HIS A 2 -55.960 53.815 -13.700 1.00 33.33 H new ATOM 0 HB2 HIS A 2 -57.540 53.593 -11.399 1.00 3.00 H new ATOM 0 HB3 HIS A 2 -56.287 54.722 -10.925 1.00 3.00 H new ATOM 0 HD2 HIS A 2 -59.336 54.541 -13.349 1.00 11.20 H new ATOM 0 HE1 HIS A 2 -57.765 58.479 -13.507 1.00 4.34 H new ATOM 0 HE2 HIS A 2 -59.686 56.971 -14.226 1.00 5.40 H new ATOM 25 N MET A 3 -54.013 55.186 -12.567 1.00 1.10 N ATOM 26 CA MET A 3 -52.681 55.689 -12.250 1.00 73.13 C ATOM 27 C MET A 3 -52.759 56.848 -11.259 1.00 62.55 C ATOM 28 O MET A 3 -53.828 57.416 -11.037 1.00 70.42 O ATOM 29 CB MET A 3 -51.965 56.141 -13.524 1.00 62.52 C ATOM 30 CG MET A 3 -52.718 57.210 -14.298 1.00 31.34 C ATOM 31 SD MET A 3 -53.099 56.706 -15.987 1.00 44.40 S ATOM 32 CE MET A 3 -51.459 56.351 -16.613 1.00 43.03 C ATOM 0 H MET A 3 -54.621 55.863 -13.028 1.00 1.10 H new ATOM 0 HA MET A 3 -52.114 54.878 -11.792 1.00 73.13 H new ATOM 0 HB2 MET A 3 -50.978 56.522 -13.261 1.00 62.52 H new ATOM 0 HB3 MET A 3 -51.811 55.277 -14.170 1.00 62.52 H new ATOM 0 HG2 MET A 3 -53.645 57.446 -13.776 1.00 31.34 H new ATOM 0 HG3 MET A 3 -52.123 58.123 -14.321 1.00 31.34 H new ATOM 0 HE1 MET A 3 -51.351 56.774 -17.612 1.00 43.03 H new ATOM 0 HE2 MET A 3 -50.714 56.791 -15.950 1.00 43.03 H new ATOM 0 HE3 MET A 3 -51.313 55.272 -16.658 1.00 43.03 H new ATOM 42 N GLY A 4 -51.620 57.193 -10.667 1.00 42.54 N ATOM 43 CA GLY A 4 -51.582 58.282 -9.709 1.00 72.25 C ATOM 44 C GLY A 4 -51.421 59.635 -10.373 1.00 5.31 C ATOM 45 O GLY A 4 -52.301 60.489 -10.277 1.00 35.51 O ATOM 0 H GLY A 4 -50.723 56.738 -10.834 1.00 42.54 H new ATOM 0 HA2 GLY A 4 -52.500 58.276 -9.121 1.00 72.25 H new ATOM 0 HA3 GLY A 4 -50.758 58.122 -9.014 1.00 72.25 H new ATOM 49 N GLU A 5 -50.292 59.830 -11.047 1.00 60.22 N ATOM 50 CA GLU A 5 -50.018 61.090 -11.727 1.00 63.13 C ATOM 51 C GLU A 5 -49.426 60.843 -13.113 1.00 11.21 C ATOM 52 O GLU A 5 -48.322 60.317 -13.241 1.00 23.35 O ATOM 53 CB GLU A 5 -49.061 61.946 -10.897 1.00 14.30 C ATOM 54 CG GLU A 5 -49.237 63.440 -11.111 1.00 14.04 C ATOM 55 CD GLU A 5 -47.951 64.127 -11.529 1.00 25.33 C ATOM 56 OE1 GLU A 5 -47.126 63.477 -12.206 1.00 40.21 O ATOM 57 OE2 GLU A 5 -47.772 65.312 -11.180 1.00 23.41 O ATOM 0 H GLU A 5 -49.553 59.132 -11.137 1.00 60.22 H new ATOM 0 HA GLU A 5 -50.962 61.623 -11.843 1.00 63.13 H new ATOM 0 HB2 GLU A 5 -49.208 61.719 -9.841 1.00 14.30 H new ATOM 0 HB3 GLU A 5 -48.035 61.671 -11.143 1.00 14.30 H new ATOM 0 HG2 GLU A 5 -49.998 63.606 -11.874 1.00 14.04 H new ATOM 0 HG3 GLU A 5 -49.604 63.894 -10.191 1.00 14.04 H new ATOM 64 N GLU A 6 -50.170 61.227 -14.145 1.00 42.13 N ATOM 65 CA GLU A 6 -49.719 61.047 -15.520 1.00 74.21 C ATOM 66 C GLU A 6 -50.345 62.090 -16.441 1.00 74.43 C ATOM 67 O GLU A 6 -51.399 62.648 -16.134 1.00 72.23 O ATOM 68 CB GLU A 6 -50.066 59.640 -16.012 1.00 45.42 C ATOM 69 CG GLU A 6 -49.201 59.170 -17.171 1.00 73.33 C ATOM 70 CD GLU A 6 -48.283 58.027 -16.784 1.00 31.12 C ATOM 71 OE1 GLU A 6 -47.826 57.998 -15.622 1.00 21.12 O ATOM 72 OE2 GLU A 6 -48.020 57.161 -17.645 1.00 54.12 O ATOM 0 H GLU A 6 -51.087 61.664 -14.055 1.00 42.13 H new ATOM 0 HA GLU A 6 -48.637 61.175 -15.540 1.00 74.21 H new ATOM 0 HB2 GLU A 6 -49.962 58.939 -15.184 1.00 45.42 H new ATOM 0 HB3 GLU A 6 -51.112 59.619 -16.318 1.00 45.42 H new ATOM 0 HG2 GLU A 6 -49.842 58.854 -17.994 1.00 73.33 H new ATOM 0 HG3 GLU A 6 -48.603 60.005 -17.536 1.00 73.33 H new ATOM 79 N GLN A 7 -49.690 62.346 -17.567 1.00 41.13 N ATOM 80 CA GLN A 7 -50.183 63.324 -18.531 1.00 4.50 C ATOM 81 C GLN A 7 -51.460 62.831 -19.202 1.00 21.32 C ATOM 82 O GLN A 7 -51.586 61.649 -19.528 1.00 1.45 O ATOM 83 CB GLN A 7 -49.115 63.612 -19.589 1.00 74.55 C ATOM 84 CG GLN A 7 -48.230 64.801 -19.251 1.00 42.03 C ATOM 85 CD GLN A 7 -47.990 65.705 -20.444 1.00 55.23 C ATOM 86 OE1 GLN A 7 -48.878 66.450 -20.862 1.00 71.32 O ATOM 87 NE2 GLN A 7 -46.786 65.648 -20.999 1.00 3.43 N ATOM 0 H GLN A 7 -48.817 61.891 -17.835 1.00 41.13 H new ATOM 0 HA GLN A 7 -50.409 64.245 -17.993 1.00 4.50 H new ATOM 0 HB2 GLN A 7 -48.490 62.728 -19.713 1.00 74.55 H new ATOM 0 HB3 GLN A 7 -49.603 63.793 -20.546 1.00 74.55 H new ATOM 0 HG2 GLN A 7 -48.692 65.378 -18.450 1.00 42.03 H new ATOM 0 HG3 GLN A 7 -47.273 64.441 -18.874 1.00 42.03 H new ATOM 0 HE21 GLN A 7 -46.080 65.017 -20.621 1.00 3.43 H new ATOM 0 HE22 GLN A 7 -46.567 66.235 -21.804 1.00 3.43 H new ATOM 96 N TYR A 8 -52.406 63.741 -19.405 1.00 3.42 N ATOM 97 CA TYR A 8 -53.674 63.398 -20.036 1.00 22.23 C ATOM 98 C TYR A 8 -53.695 63.838 -21.495 1.00 42.31 C ATOM 99 O TYR A 8 -52.923 64.705 -21.905 1.00 23.42 O ATOM 100 CB TYR A 8 -54.836 64.046 -19.279 1.00 43.12 C ATOM 101 CG TYR A 8 -55.094 63.430 -17.922 1.00 44.14 C ATOM 102 CD1 TYR A 8 -55.233 62.056 -17.777 1.00 72.33 C ATOM 103 CD2 TYR A 8 -55.198 64.223 -16.786 1.00 21.12 C ATOM 104 CE1 TYR A 8 -55.471 61.489 -16.539 1.00 43.34 C ATOM 105 CE2 TYR A 8 -55.433 63.665 -15.545 1.00 31.33 C ATOM 106 CZ TYR A 8 -55.569 62.298 -15.426 1.00 30.13 C ATOM 107 OH TYR A 8 -55.804 61.737 -14.192 1.00 42.23 O ATOM 0 H TYR A 8 -52.318 64.722 -19.141 1.00 3.42 H new ATOM 0 HA TYR A 8 -53.785 62.314 -20.002 1.00 22.23 H new ATOM 0 HB2 TYR A 8 -54.629 65.109 -19.153 1.00 43.12 H new ATOM 0 HB3 TYR A 8 -55.740 63.967 -19.882 1.00 43.12 H new ATOM 0 HD1 TYR A 8 -55.154 61.420 -18.646 1.00 72.33 H new ATOM 0 HD2 TYR A 8 -55.093 65.294 -16.875 1.00 21.12 H new ATOM 0 HE1 TYR A 8 -55.580 60.419 -16.444 1.00 43.34 H new ATOM 0 HE2 TYR A 8 -55.510 64.296 -14.672 1.00 31.33 H new ATOM 0 HH TYR A 8 -55.844 62.443 -13.514 1.00 42.23 H new ATOM 117 N ASN A 9 -54.586 63.235 -22.277 1.00 13.41 N ATOM 118 CA ASN A 9 -54.708 63.564 -23.692 1.00 40.33 C ATOM 119 C ASN A 9 -56.110 63.251 -24.205 1.00 21.03 C ATOM 120 O ASN A 9 -56.574 62.114 -24.114 1.00 32.31 O ATOM 121 CB ASN A 9 -53.669 62.792 -24.508 1.00 43.30 C ATOM 122 CG ASN A 9 -53.771 63.080 -25.994 1.00 45.22 C ATOM 123 OD1 ASN A 9 -54.853 63.009 -26.578 1.00 23.31 O ATOM 124 ND2 ASN A 9 -52.642 63.407 -26.612 1.00 63.35 N ATOM 0 H ASN A 9 -55.234 62.516 -21.954 1.00 13.41 H new ATOM 0 HA ASN A 9 -54.529 64.633 -23.807 1.00 40.33 H new ATOM 0 HB2 ASN A 9 -52.670 63.052 -24.158 1.00 43.30 H new ATOM 0 HB3 ASN A 9 -53.798 61.723 -24.338 1.00 43.30 H new ATOM 0 HD21 ASN A 9 -52.648 63.612 -27.611 1.00 63.35 H new ATOM 0 HD22 ASN A 9 -51.768 63.453 -26.087 1.00 63.35 H new ATOM 131 N ARG A 10 -56.778 64.264 -24.744 1.00 44.42 N ATOM 132 CA ARG A 10 -58.126 64.097 -25.271 1.00 71.14 C ATOM 133 C ARG A 10 -58.295 64.851 -26.586 1.00 3.44 C ATOM 134 O ARG A 10 -57.686 65.901 -26.794 1.00 45.11 O ATOM 135 CB ARG A 10 -59.160 64.587 -24.254 1.00 35.32 C ATOM 136 CG ARG A 10 -59.988 63.470 -23.640 1.00 2.05 C ATOM 137 CD ARG A 10 -61.222 64.014 -22.937 1.00 14.14 C ATOM 138 NE ARG A 10 -60.874 64.827 -21.773 1.00 25.34 N ATOM 139 CZ ARG A 10 -61.643 65.802 -21.303 1.00 54.23 C ATOM 140 NH1 ARG A 10 -62.796 66.085 -21.892 1.00 11.04 N ATOM 141 NH2 ARG A 10 -61.259 66.497 -20.240 1.00 2.32 N ATOM 0 H ARG A 10 -56.407 65.211 -24.827 1.00 44.42 H new ATOM 0 HA ARG A 10 -58.285 63.035 -25.458 1.00 71.14 H new ATOM 0 HB2 ARG A 10 -58.647 65.127 -23.458 1.00 35.32 H new ATOM 0 HB3 ARG A 10 -59.828 65.297 -24.741 1.00 35.32 H new ATOM 0 HG2 ARG A 10 -60.290 62.770 -24.418 1.00 2.05 H new ATOM 0 HG3 ARG A 10 -59.379 62.913 -22.929 1.00 2.05 H new ATOM 0 HD2 ARG A 10 -61.804 64.613 -23.637 1.00 14.14 H new ATOM 0 HD3 ARG A 10 -61.856 63.185 -22.624 1.00 14.14 H new ATOM 0 HE ARG A 10 -59.993 64.635 -21.296 1.00 25.34 H new ATOM 0 HH11 ARG A 10 -63.095 65.553 -22.709 1.00 11.04 H new ATOM 0 HH12 ARG A 10 -63.384 66.835 -21.528 1.00 11.04 H new ATOM 0 HH21 ARG A 10 -60.373 66.282 -19.783 1.00 2.32 H new ATOM 0 HH22 ARG A 10 -61.850 67.246 -19.879 1.00 2.32 H new ATOM 155 N TYR A 11 -59.124 64.310 -27.471 1.00 23.15 N ATOM 156 CA TYR A 11 -59.370 64.929 -28.769 1.00 32.13 C ATOM 157 C TYR A 11 -58.064 65.140 -29.528 1.00 42.51 C ATOM 158 O TYR A 11 -57.852 66.184 -30.144 1.00 45.02 O ATOM 159 CB TYR A 11 -60.089 66.266 -28.589 1.00 43.53 C ATOM 160 CG TYR A 11 -61.560 66.124 -28.263 1.00 41.52 C ATOM 161 CD1 TYR A 11 -62.495 65.914 -29.267 1.00 62.34 C ATOM 162 CD2 TYR A 11 -62.011 66.202 -26.951 1.00 5.23 C ATOM 163 CE1 TYR A 11 -63.839 65.784 -28.975 1.00 72.43 C ATOM 164 CE2 TYR A 11 -63.352 66.071 -26.649 1.00 41.35 C ATOM 165 CZ TYR A 11 -64.263 65.863 -27.663 1.00 64.11 C ATOM 166 OH TYR A 11 -65.601 65.734 -27.366 1.00 23.02 O ATOM 0 H TYR A 11 -59.638 63.443 -27.314 1.00 23.15 H new ATOM 0 HA TYR A 11 -60.002 64.258 -29.350 1.00 32.13 H new ATOM 0 HB2 TYR A 11 -59.601 66.827 -27.792 1.00 43.53 H new ATOM 0 HB3 TYR A 11 -59.983 66.852 -29.502 1.00 43.53 H new ATOM 0 HD1 TYR A 11 -62.166 65.851 -30.294 1.00 62.34 H new ATOM 0 HD2 TYR A 11 -61.301 66.368 -26.154 1.00 5.23 H new ATOM 0 HE1 TYR A 11 -64.554 65.622 -29.768 1.00 72.43 H new ATOM 0 HE2 TYR A 11 -63.686 66.131 -25.624 1.00 41.35 H new ATOM 0 HH TYR A 11 -65.730 65.813 -26.398 1.00 23.02 H new ATOM 176 N GLN A 12 -57.190 64.139 -29.478 1.00 50.31 N ATOM 177 CA GLN A 12 -55.904 64.213 -30.162 1.00 11.32 C ATOM 178 C GLN A 12 -55.325 62.820 -30.387 1.00 43.12 C ATOM 179 O GLN A 12 -55.836 61.834 -29.857 1.00 45.42 O ATOM 180 CB GLN A 12 -54.921 65.063 -29.352 1.00 65.12 C ATOM 181 CG GLN A 12 -53.905 65.800 -30.209 1.00 64.15 C ATOM 182 CD GLN A 12 -54.024 67.306 -30.089 1.00 43.25 C ATOM 183 OE1 GLN A 12 -54.882 67.925 -30.721 1.00 43.03 O ATOM 184 NE2 GLN A 12 -53.163 67.907 -29.276 1.00 23.14 N ATOM 0 H GLN A 12 -57.349 63.268 -28.971 1.00 50.31 H new ATOM 0 HA GLN A 12 -56.064 64.680 -31.134 1.00 11.32 H new ATOM 0 HB2 GLN A 12 -55.481 65.789 -28.762 1.00 65.12 H new ATOM 0 HB3 GLN A 12 -54.392 64.420 -28.648 1.00 65.12 H new ATOM 0 HG2 GLN A 12 -52.900 65.494 -29.918 1.00 64.15 H new ATOM 0 HG3 GLN A 12 -54.037 65.511 -31.252 1.00 64.15 H new ATOM 0 HE21 GLN A 12 -52.468 67.356 -28.772 1.00 23.14 H new ATOM 0 HE22 GLN A 12 -53.196 68.919 -29.156 1.00 23.14 H new ATOM 193 N GLN A 13 -54.258 62.750 -31.176 1.00 25.45 N ATOM 194 CA GLN A 13 -53.612 61.475 -31.472 1.00 14.44 C ATOM 195 C GLN A 13 -52.155 61.686 -31.877 1.00 34.52 C ATOM 196 O GLN A 13 -51.707 62.819 -32.050 1.00 44.21 O ATOM 197 CB GLN A 13 -54.361 60.745 -32.586 1.00 64.42 C ATOM 198 CG GLN A 13 -54.697 61.630 -33.776 1.00 72.33 C ATOM 199 CD GLN A 13 -56.050 61.308 -34.379 1.00 61.12 C ATOM 200 OE1 GLN A 13 -56.178 60.392 -35.192 1.00 5.33 O ATOM 201 NE2 GLN A 13 -57.070 62.061 -33.983 1.00 44.25 N ATOM 0 H GLN A 13 -53.823 63.558 -31.621 1.00 25.45 H new ATOM 0 HA GLN A 13 -53.637 60.866 -30.569 1.00 14.44 H new ATOM 0 HB2 GLN A 13 -53.757 59.905 -32.928 1.00 64.42 H new ATOM 0 HB3 GLN A 13 -55.284 60.330 -32.180 1.00 64.42 H new ATOM 0 HG2 GLN A 13 -54.682 62.674 -33.463 1.00 72.33 H new ATOM 0 HG3 GLN A 13 -53.927 61.515 -34.539 1.00 72.33 H new ATOM 0 HE21 GLN A 13 -56.919 62.810 -33.307 1.00 44.25 H new ATOM 0 HE22 GLN A 13 -58.004 61.890 -34.355 1.00 44.25 H new ATOM 210 N TYR A 14 -51.423 60.587 -32.022 1.00 41.24 N ATOM 211 CA TYR A 14 -50.017 60.651 -32.403 1.00 44.21 C ATOM 212 C TYR A 14 -49.559 59.332 -33.019 1.00 43.34 C ATOM 213 O TYR A 14 -49.860 58.256 -32.505 1.00 41.23 O ATOM 214 CB TYR A 14 -49.153 60.986 -31.187 1.00 53.44 C ATOM 215 CG TYR A 14 -48.915 62.469 -31.004 1.00 2.21 C ATOM 216 CD1 TYR A 14 -47.889 63.116 -31.680 1.00 12.23 C ATOM 217 CD2 TYR A 14 -49.716 63.220 -30.154 1.00 62.30 C ATOM 218 CE1 TYR A 14 -47.666 64.470 -31.515 1.00 1.12 C ATOM 219 CE2 TYR A 14 -49.503 64.575 -29.983 1.00 1.21 C ATOM 220 CZ TYR A 14 -48.476 65.195 -30.666 1.00 15.04 C ATOM 221 OH TYR A 14 -48.259 66.543 -30.500 1.00 53.21 O ATOM 0 H TYR A 14 -51.780 59.642 -31.882 1.00 41.24 H new ATOM 0 HA TYR A 14 -49.904 61.438 -33.149 1.00 44.21 H new ATOM 0 HB2 TYR A 14 -49.632 60.590 -30.291 1.00 53.44 H new ATOM 0 HB3 TYR A 14 -48.192 60.481 -31.284 1.00 53.44 H new ATOM 0 HD1 TYR A 14 -47.254 62.551 -32.346 1.00 12.23 H new ATOM 0 HD2 TYR A 14 -50.519 62.737 -29.617 1.00 62.30 H new ATOM 0 HE1 TYR A 14 -46.863 64.957 -32.047 1.00 1.12 H new ATOM 0 HE2 TYR A 14 -50.136 65.145 -29.319 1.00 1.21 H new ATOM 0 HH TYR A 14 -48.917 66.905 -29.870 1.00 53.21 H new ATOM 231 N GLY A 15 -48.829 59.426 -34.128 1.00 32.23 N ATOM 232 CA GLY A 15 -48.340 58.235 -34.796 1.00 72.24 C ATOM 233 C GLY A 15 -47.072 57.695 -34.165 1.00 4.14 C ATOM 234 O GLY A 15 -46.125 58.443 -33.924 1.00 24.04 O ATOM 0 H GLY A 15 -48.569 60.305 -34.574 1.00 32.23 H new ATOM 0 HA2 GLY A 15 -49.111 57.465 -34.770 1.00 72.24 H new ATOM 0 HA3 GLY A 15 -48.152 58.462 -35.845 1.00 72.24 H new ATOM 238 N ALA A 16 -47.052 56.394 -33.897 1.00 63.52 N ATOM 239 CA ALA A 16 -45.891 55.755 -33.292 1.00 71.24 C ATOM 240 C ALA A 16 -44.959 55.187 -34.357 1.00 74.42 C ATOM 241 O ALA A 16 -45.269 54.180 -34.991 1.00 43.11 O ATOM 242 CB ALA A 16 -46.332 54.659 -32.334 1.00 22.21 C ATOM 0 H ALA A 16 -47.828 55.761 -34.090 1.00 63.52 H new ATOM 0 HA ALA A 16 -45.341 56.512 -32.733 1.00 71.24 H new ATOM 0 HB1 ALA A 16 -45.454 54.190 -31.889 1.00 22.21 H new ATOM 0 HB2 ALA A 16 -46.951 55.091 -31.547 1.00 22.21 H new ATOM 0 HB3 ALA A 16 -46.907 53.910 -32.878 1.00 22.21 H new ATOM 248 N GLU A 17 -43.819 55.841 -34.548 1.00 4.42 N ATOM 249 CA GLU A 17 -42.842 55.402 -35.539 1.00 73.41 C ATOM 250 C GLU A 17 -41.893 54.365 -34.944 1.00 73.13 C ATOM 251 O GLU A 17 -41.592 53.351 -35.573 1.00 34.20 O ATOM 252 CB GLU A 17 -42.045 56.595 -36.067 1.00 44.14 C ATOM 253 CG GLU A 17 -42.024 56.690 -37.584 1.00 21.35 C ATOM 254 CD GLU A 17 -40.627 56.896 -38.137 1.00 54.14 C ATOM 255 OE1 GLU A 17 -39.656 56.500 -37.458 1.00 74.53 O ATOM 256 OE2 GLU A 17 -40.504 57.454 -39.246 1.00 41.24 O ATOM 0 H GLU A 17 -43.548 56.677 -34.030 1.00 4.42 H new ATOM 0 HA GLU A 17 -43.383 54.943 -36.366 1.00 73.41 H new ATOM 0 HB2 GLU A 17 -42.469 57.513 -35.660 1.00 44.14 H new ATOM 0 HB3 GLU A 17 -41.020 56.527 -35.701 1.00 44.14 H new ATOM 0 HG2 GLU A 17 -42.447 55.779 -38.007 1.00 21.35 H new ATOM 0 HG3 GLU A 17 -42.662 57.515 -37.901 1.00 21.35 H new ATOM 263 N GLU A 18 -41.426 54.629 -33.728 1.00 43.00 N ATOM 264 CA GLU A 18 -40.509 53.720 -33.048 1.00 42.34 C ATOM 265 C GLU A 18 -41.273 52.733 -32.171 1.00 63.30 C ATOM 266 O GLU A 18 -41.840 53.108 -31.144 1.00 21.01 O ATOM 267 CB GLU A 18 -39.511 54.508 -32.198 1.00 12.41 C ATOM 268 CG GLU A 18 -40.168 55.423 -31.179 1.00 41.24 C ATOM 269 CD GLU A 18 -39.709 56.862 -31.306 1.00 15.25 C ATOM 270 OE1 GLU A 18 -38.670 57.207 -30.702 1.00 50.23 O ATOM 271 OE2 GLU A 18 -40.384 57.644 -32.005 1.00 22.11 O ATOM 0 H GLU A 18 -41.667 55.464 -33.193 1.00 43.00 H new ATOM 0 HA GLU A 18 -39.964 53.159 -33.807 1.00 42.34 H new ATOM 0 HB2 GLU A 18 -38.858 53.808 -31.677 1.00 12.41 H new ATOM 0 HB3 GLU A 18 -38.879 55.105 -32.855 1.00 12.41 H new ATOM 0 HG2 GLU A 18 -41.250 55.379 -31.301 1.00 41.24 H new ATOM 0 HG3 GLU A 18 -39.945 55.062 -30.175 1.00 41.24 H new ATOM 278 N CYS A 19 -41.285 51.470 -32.585 1.00 73.14 N ATOM 279 CA CYS A 19 -41.981 50.427 -31.838 1.00 51.32 C ATOM 280 C CYS A 19 -41.207 49.114 -31.887 1.00 2.42 C ATOM 281 O CYS A 19 -40.899 48.603 -32.963 1.00 11.31 O ATOM 282 CB CYS A 19 -43.390 50.224 -32.397 1.00 22.32 C ATOM 283 SG CYS A 19 -43.426 49.632 -34.105 1.00 72.42 S ATOM 0 H CYS A 19 -40.821 51.144 -33.433 1.00 73.14 H new ATOM 0 HA CYS A 19 -42.053 50.746 -30.798 1.00 51.32 H new ATOM 0 HB2 CYS A 19 -43.921 49.512 -31.765 1.00 22.32 H new ATOM 0 HB3 CYS A 19 -43.932 51.168 -32.339 1.00 22.32 H new ATOM 0 HG CYS A 19 -42.397 48.868 -34.321 1.00 72.42 H new ATOM 289 N VAL A 20 -40.892 48.576 -30.714 1.00 34.34 N ATOM 290 CA VAL A 20 -40.152 47.322 -30.622 1.00 1.40 C ATOM 291 C VAL A 20 -38.869 47.380 -31.443 1.00 23.24 C ATOM 292 O VAL A 20 -38.560 46.459 -32.199 1.00 2.01 O ATOM 293 CB VAL A 20 -41.002 46.132 -31.103 1.00 63.22 C ATOM 294 CG1 VAL A 20 -40.273 44.820 -30.860 1.00 31.32 C ATOM 295 CG2 VAL A 20 -42.358 46.133 -30.413 1.00 72.41 C ATOM 0 H VAL A 20 -41.137 48.988 -29.814 1.00 34.34 H new ATOM 0 HA VAL A 20 -39.902 47.179 -29.571 1.00 1.40 H new ATOM 0 HB VAL A 20 -41.165 46.235 -32.176 1.00 63.22 H new ATOM 0 HG11 VAL A 20 -40.890 43.991 -31.207 1.00 31.32 H new ATOM 0 HG12 VAL A 20 -39.329 44.822 -31.405 1.00 31.32 H new ATOM 0 HG13 VAL A 20 -40.077 44.705 -29.794 1.00 31.32 H new ATOM 0 HG21 VAL A 20 -42.946 45.285 -30.765 1.00 72.41 H new ATOM 0 HG22 VAL A 20 -42.218 46.055 -29.335 1.00 72.41 H new ATOM 0 HG23 VAL A 20 -42.883 47.060 -30.644 1.00 72.41 H new ATOM 305 N LEU A 21 -38.123 48.468 -31.289 1.00 50.04 N ATOM 306 CA LEU A 21 -36.871 48.648 -32.016 1.00 63.51 C ATOM 307 C LEU A 21 -35.673 48.382 -31.111 1.00 20.13 C ATOM 308 O LEU A 21 -35.807 48.324 -29.889 1.00 74.52 O ATOM 309 CB LEU A 21 -36.788 50.065 -32.587 1.00 21.51 C ATOM 310 CG LEU A 21 -37.091 50.206 -34.079 1.00 0.12 C ATOM 311 CD1 LEU A 21 -37.147 51.673 -34.476 1.00 3.12 C ATOM 312 CD2 LEU A 21 -36.049 49.467 -34.907 1.00 75.13 C ATOM 0 H LEU A 21 -38.363 49.240 -30.667 1.00 50.04 H new ATOM 0 HA LEU A 21 -36.850 47.931 -32.836 1.00 63.51 H new ATOM 0 HB2 LEU A 21 -37.481 50.699 -32.034 1.00 21.51 H new ATOM 0 HB3 LEU A 21 -35.786 50.452 -32.402 1.00 21.51 H new ATOM 0 HG LEU A 21 -38.066 49.760 -34.276 1.00 0.12 H new ATOM 0 HD11 LEU A 21 -37.364 51.754 -35.541 1.00 3.12 H new ATOM 0 HD12 LEU A 21 -37.930 52.174 -33.907 1.00 3.12 H new ATOM 0 HD13 LEU A 21 -36.187 52.144 -34.264 1.00 3.12 H new ATOM 0 HD21 LEU A 21 -36.280 49.578 -35.966 1.00 75.13 H new ATOM 0 HD22 LEU A 21 -35.062 49.883 -34.706 1.00 75.13 H new ATOM 0 HD23 LEU A 21 -36.057 48.410 -34.643 1.00 75.13 H new ATOM 324 N GLN A 22 -34.502 48.221 -31.719 1.00 52.25 N ATOM 325 CA GLN A 22 -33.281 47.963 -30.968 1.00 14.30 C ATOM 326 C GLN A 22 -32.927 49.151 -30.077 1.00 62.02 C ATOM 327 O GLN A 22 -33.096 50.304 -30.470 1.00 2.50 O ATOM 328 CB GLN A 22 -32.123 47.663 -31.921 1.00 45.43 C ATOM 329 CG GLN A 22 -31.915 46.179 -32.177 1.00 24.10 C ATOM 330 CD GLN A 22 -30.834 45.581 -31.299 1.00 50.03 C ATOM 331 OE1 GLN A 22 -31.124 44.911 -30.308 1.00 55.35 O ATOM 332 NE2 GLN A 22 -29.579 45.818 -31.661 1.00 75.20 N ATOM 0 H GLN A 22 -34.374 48.265 -32.730 1.00 52.25 H new ATOM 0 HA GLN A 22 -33.453 47.094 -30.333 1.00 14.30 H new ATOM 0 HB2 GLN A 22 -32.306 48.165 -32.871 1.00 45.43 H new ATOM 0 HB3 GLN A 22 -31.206 48.084 -31.509 1.00 45.43 H new ATOM 0 HG2 GLN A 22 -32.852 45.650 -32.004 1.00 24.10 H new ATOM 0 HG3 GLN A 22 -31.652 46.028 -33.224 1.00 24.10 H new ATOM 0 HE21 GLN A 22 -29.385 46.379 -32.490 1.00 75.20 H new ATOM 0 HE22 GLN A 22 -28.809 45.439 -31.110 1.00 75.20 H new ATOM 341 N MET A 23 -32.437 48.858 -28.878 1.00 35.12 N ATOM 342 CA MET A 23 -32.059 49.903 -27.933 1.00 2.44 C ATOM 343 C MET A 23 -31.098 50.898 -28.578 1.00 32.10 C ATOM 344 O MET A 23 -30.451 50.591 -29.577 1.00 4.21 O ATOM 345 CB MET A 23 -31.413 49.287 -26.690 1.00 12.02 C ATOM 346 CG MET A 23 -30.252 48.357 -27.005 1.00 44.15 C ATOM 347 SD MET A 23 -28.647 49.126 -26.719 1.00 11.22 S ATOM 348 CE MET A 23 -27.873 48.900 -28.317 1.00 5.20 C ATOM 0 H MET A 23 -32.292 47.908 -28.537 1.00 35.12 H new ATOM 0 HA MET A 23 -32.963 50.436 -27.639 1.00 2.44 H new ATOM 0 HB2 MET A 23 -31.060 50.087 -26.040 1.00 12.02 H new ATOM 0 HB3 MET A 23 -32.170 48.734 -26.134 1.00 12.02 H new ATOM 0 HG2 MET A 23 -30.334 47.459 -26.392 1.00 44.15 H new ATOM 0 HG3 MET A 23 -30.318 48.040 -28.046 1.00 44.15 H new ATOM 0 HE1 MET A 23 -26.789 48.899 -28.200 1.00 5.20 H new ATOM 0 HE2 MET A 23 -28.192 47.950 -28.745 1.00 5.20 H new ATOM 0 HE3 MET A 23 -28.165 49.713 -28.981 1.00 5.20 H new ATOM 358 N GLY A 24 -31.012 52.092 -27.999 1.00 34.50 N ATOM 359 CA GLY A 24 -30.130 53.113 -28.532 1.00 34.32 C ATOM 360 C GLY A 24 -30.886 54.326 -29.036 1.00 1.40 C ATOM 361 O GLY A 24 -31.294 55.184 -28.254 1.00 12.23 O ATOM 0 H GLY A 24 -31.538 52.370 -27.170 1.00 34.50 H new ATOM 0 HA2 GLY A 24 -29.428 53.422 -27.758 1.00 34.32 H new ATOM 0 HA3 GLY A 24 -29.541 52.691 -29.347 1.00 34.32 H new ATOM 365 N GLY A 25 -31.073 54.401 -30.352 1.00 32.32 N ATOM 366 CA GLY A 25 -31.782 55.522 -30.938 1.00 24.24 C ATOM 367 C GLY A 25 -33.006 55.917 -30.135 1.00 0.40 C ATOM 368 O GLY A 25 -34.024 55.224 -30.160 1.00 51.35 O ATOM 0 H GLY A 25 -30.745 53.704 -31.021 1.00 32.32 H new ATOM 0 HA2 GLY A 25 -31.108 56.376 -31.012 1.00 24.24 H new ATOM 0 HA3 GLY A 25 -32.084 55.266 -31.953 1.00 24.24 H new ATOM 372 N VAL A 26 -32.908 57.032 -29.421 1.00 12.32 N ATOM 373 CA VAL A 26 -34.014 57.520 -28.607 1.00 62.51 C ATOM 374 C VAL A 26 -34.129 59.038 -28.685 1.00 71.22 C ATOM 375 O VAL A 26 -33.122 59.747 -28.685 1.00 65.24 O ATOM 376 CB VAL A 26 -33.853 57.103 -27.133 1.00 52.02 C ATOM 377 CG1 VAL A 26 -32.529 57.604 -26.579 1.00 75.24 C ATOM 378 CG2 VAL A 26 -35.019 57.620 -26.302 1.00 4.05 C ATOM 0 H VAL A 26 -32.072 57.616 -29.389 1.00 12.32 H new ATOM 0 HA VAL A 26 -34.922 57.070 -29.007 1.00 62.51 H new ATOM 0 HB VAL A 26 -33.854 56.014 -27.079 1.00 52.02 H new ATOM 0 HG11 VAL A 26 -32.432 57.300 -25.537 1.00 75.24 H new ATOM 0 HG12 VAL A 26 -31.709 57.180 -27.158 1.00 75.24 H new ATOM 0 HG13 VAL A 26 -32.495 58.692 -26.644 1.00 75.24 H new ATOM 0 HG21 VAL A 26 -34.889 57.316 -25.263 1.00 4.05 H new ATOM 0 HG22 VAL A 26 -35.053 58.708 -26.360 1.00 4.05 H new ATOM 0 HG23 VAL A 26 -35.951 57.207 -26.687 1.00 4.05 H new ATOM 388 N LEU A 27 -35.360 59.530 -28.751 1.00 53.14 N ATOM 389 CA LEU A 27 -35.607 60.966 -28.829 1.00 70.45 C ATOM 390 C LEU A 27 -36.692 61.387 -27.842 1.00 22.03 C ATOM 391 O LEU A 27 -37.545 60.568 -27.499 1.00 42.42 O ATOM 392 CB LEU A 27 -36.016 61.356 -30.250 1.00 72.51 C ATOM 393 CG LEU A 27 -37.141 60.530 -30.877 1.00 22.42 C ATOM 394 CD1 LEU A 27 -38.494 61.147 -30.568 1.00 75.33 C ATOM 395 CD2 LEU A 27 -36.938 60.408 -32.380 1.00 1.12 C ATOM 0 H LEU A 27 -36.203 58.956 -28.752 1.00 53.14 H new ATOM 0 HA LEU A 27 -34.684 61.483 -28.568 1.00 70.45 H new ATOM 0 HB2 LEU A 27 -36.321 62.402 -30.244 1.00 72.51 H new ATOM 0 HB3 LEU A 27 -35.138 61.283 -30.892 1.00 72.51 H new ATOM 0 HG LEU A 27 -37.115 59.530 -30.444 1.00 22.42 H new ATOM 0 HD11 LEU A 27 -39.281 60.545 -31.023 1.00 75.33 H new ATOM 0 HD12 LEU A 27 -38.641 61.180 -29.488 1.00 75.33 H new ATOM 0 HD13 LEU A 27 -38.533 62.159 -30.971 1.00 75.33 H new ATOM 0 HD21 LEU A 27 -37.747 59.817 -32.810 1.00 1.12 H new ATOM 0 HD22 LEU A 27 -36.936 61.401 -32.829 1.00 1.12 H new ATOM 0 HD23 LEU A 27 -35.985 59.918 -32.580 1.00 1.12 H new ATOM 407 N CYS A 28 -36.638 62.638 -27.412 1.00 42.34 N ATOM 408 CA CYS A 28 -37.620 63.151 -26.473 1.00 31.30 C ATOM 409 C CYS A 28 -38.880 63.530 -27.252 1.00 51.33 C ATOM 410 O CYS A 28 -38.866 64.314 -28.202 1.00 13.42 O ATOM 411 CB CYS A 28 -37.071 64.329 -25.666 1.00 53.41 C ATOM 412 SG CYS A 28 -36.592 63.773 -23.989 1.00 64.11 S ATOM 0 H CYS A 28 -35.928 63.313 -27.697 1.00 42.34 H new ATOM 0 HA CYS A 28 -37.865 62.379 -25.743 1.00 31.30 H new ATOM 0 HB2 CYS A 28 -36.208 64.758 -26.175 1.00 53.41 H new ATOM 0 HB3 CYS A 28 -37.824 65.114 -25.596 1.00 53.41 H new ATOM 417 N PRO A 29 -40.008 62.945 -26.825 1.00 45.44 N ATOM 418 CA PRO A 29 -41.313 63.189 -27.450 1.00 0.44 C ATOM 419 C PRO A 29 -41.827 64.600 -27.186 1.00 34.32 C ATOM 420 O PRO A 29 -42.713 65.090 -27.886 1.00 62.41 O ATOM 421 CB PRO A 29 -42.223 62.154 -26.787 1.00 70.42 C ATOM 422 CG PRO A 29 -41.581 61.870 -25.473 1.00 52.13 C ATOM 423 CD PRO A 29 -40.101 62.001 -25.699 1.00 4.25 C ATOM 0 HA PRO A 29 -41.268 63.102 -28.536 1.00 0.44 H new ATOM 0 HB2 PRO A 29 -43.234 62.541 -26.658 1.00 70.42 H new ATOM 0 HB3 PRO A 29 -42.302 61.251 -27.392 1.00 70.42 H new ATOM 0 HG2 PRO A 29 -41.923 62.571 -24.712 1.00 52.13 H new ATOM 0 HG3 PRO A 29 -41.835 60.870 -25.122 1.00 52.13 H new ATOM 0 HD2 PRO A 29 -39.592 62.381 -24.813 1.00 4.25 H new ATOM 0 HD3 PRO A 29 -39.645 61.041 -25.941 1.00 4.25 H new ATOM 431 N ARG A 30 -41.267 65.248 -26.171 1.00 31.14 N ATOM 432 CA ARG A 30 -41.670 66.603 -25.813 1.00 30.33 C ATOM 433 C ARG A 30 -41.577 67.534 -27.019 1.00 12.20 C ATOM 434 O ARG A 30 -40.657 67.448 -27.833 1.00 30.41 O ATOM 435 CB ARG A 30 -40.795 67.135 -24.676 1.00 51.45 C ATOM 436 CG ARG A 30 -41.039 66.445 -23.345 1.00 3.12 C ATOM 437 CD ARG A 30 -42.411 66.787 -22.784 1.00 71.41 C ATOM 438 NE ARG A 30 -42.345 67.185 -21.380 1.00 1.24 N ATOM 439 CZ ARG A 30 -42.354 66.321 -20.370 1.00 10.22 C ATOM 440 NH1 ARG A 30 -42.425 65.019 -20.607 1.00 24.01 N ATOM 441 NH2 ARG A 30 -42.291 66.762 -19.120 1.00 22.12 N ATOM 0 H ARG A 30 -40.532 64.857 -25.581 1.00 31.14 H new ATOM 0 HA ARG A 30 -42.707 66.571 -25.479 1.00 30.33 H new ATOM 0 HB2 ARG A 30 -39.747 67.017 -24.950 1.00 51.45 H new ATOM 0 HB3 ARG A 30 -40.975 68.204 -24.560 1.00 51.45 H new ATOM 0 HG2 ARG A 30 -40.955 65.366 -23.473 1.00 3.12 H new ATOM 0 HG3 ARG A 30 -40.269 66.742 -22.633 1.00 3.12 H new ATOM 0 HD2 ARG A 30 -42.851 67.594 -23.369 1.00 71.41 H new ATOM 0 HD3 ARG A 30 -43.069 65.924 -22.886 1.00 71.41 H new ATOM 0 HE ARG A 30 -42.289 68.180 -21.163 1.00 1.24 H new ATOM 0 HH11 ARG A 30 -42.473 64.677 -21.567 1.00 24.01 H new ATOM 0 HH12 ARG A 30 -42.432 64.359 -19.830 1.00 24.01 H new ATOM 0 HH21 ARG A 30 -42.236 67.764 -18.935 1.00 22.12 H new ATOM 0 HH22 ARG A 30 -42.298 66.099 -18.344 1.00 22.12 H new ATOM 455 N PRO A 31 -42.554 68.446 -27.138 1.00 75.32 N ATOM 456 CA PRO A 31 -42.606 69.411 -28.241 1.00 32.31 C ATOM 457 C PRO A 31 -41.502 70.459 -28.146 1.00 73.23 C ATOM 458 O PRO A 31 -41.640 71.456 -27.439 1.00 40.34 O ATOM 459 CB PRO A 31 -43.980 70.064 -28.077 1.00 1.22 C ATOM 460 CG PRO A 31 -44.302 69.908 -26.630 1.00 52.12 C ATOM 461 CD PRO A 31 -43.682 68.607 -26.205 1.00 21.35 C ATOM 0 HA PRO A 31 -42.460 68.932 -29.209 1.00 32.31 H new ATOM 0 HB2 PRO A 31 -43.956 71.115 -28.367 1.00 1.22 H new ATOM 0 HB3 PRO A 31 -44.727 69.577 -28.704 1.00 1.22 H new ATOM 0 HG2 PRO A 31 -43.901 70.739 -26.049 1.00 52.12 H new ATOM 0 HG3 PRO A 31 -45.380 69.897 -26.469 1.00 52.12 H new ATOM 0 HD2 PRO A 31 -43.345 68.642 -25.169 1.00 21.35 H new ATOM 0 HD3 PRO A 31 -44.389 67.781 -26.282 1.00 21.35 H new ATOM 469 N GLY A 32 -40.408 70.226 -28.865 1.00 52.24 N ATOM 470 CA GLY A 32 -39.297 71.160 -28.847 1.00 54.00 C ATOM 471 C GLY A 32 -38.009 70.522 -28.367 1.00 25.42 C ATOM 472 O GLY A 32 -37.005 70.593 -29.074 1.00 62.50 O ATOM 0 H GLY A 32 -40.271 69.408 -29.459 1.00 52.24 H new ATOM 0 HA2 GLY A 32 -39.148 71.561 -29.849 1.00 54.00 H new ATOM 0 HA3 GLY A 32 -39.545 72.002 -28.200 1.00 54.00 H new ATOM 476 N CYS A 33 -38.056 69.919 -27.188 1.00 21.12 N ATOM 477 CA CYS A 33 -36.879 69.273 -26.631 1.00 13.14 C ATOM 478 C CYS A 33 -36.119 68.593 -27.770 1.00 2.33 C ATOM 479 O CYS A 33 -34.928 68.817 -27.986 1.00 1.41 O ATOM 480 CB CYS A 33 -37.246 68.287 -25.520 1.00 44.00 C ATOM 481 SG CYS A 33 -35.770 67.329 -25.019 1.00 42.44 S ATOM 0 H CYS A 33 -38.890 69.864 -26.603 1.00 21.12 H new ATOM 0 HA CYS A 33 -36.238 70.021 -26.164 1.00 13.14 H new ATOM 0 HB2 CYS A 33 -37.648 68.826 -24.662 1.00 44.00 H new ATOM 0 HB3 CYS A 33 -38.028 67.611 -25.866 1.00 44.00 H new ATOM 486 N GLY A 34 -36.840 67.747 -28.500 1.00 4.21 N ATOM 487 CA GLY A 34 -36.243 67.032 -29.614 1.00 53.34 C ATOM 488 C GLY A 34 -34.839 66.548 -29.306 1.00 11.22 C ATOM 489 O GLY A 34 -33.922 66.735 -30.105 1.00 31.41 O ATOM 0 H GLY A 34 -37.827 67.544 -28.340 1.00 4.21 H new ATOM 0 HA2 GLY A 34 -36.870 66.178 -29.872 1.00 53.34 H new ATOM 0 HA3 GLY A 34 -36.216 67.683 -30.488 1.00 53.34 H new ATOM 493 N ALA A 35 -34.672 65.928 -28.143 1.00 24.55 N ATOM 494 CA ALA A 35 -33.370 65.414 -27.733 1.00 21.50 C ATOM 495 C ALA A 35 -32.698 64.650 -28.868 1.00 13.50 C ATOM 496 O ALA A 35 -31.583 64.975 -29.272 1.00 11.23 O ATOM 497 CB ALA A 35 -33.517 64.523 -26.509 1.00 20.32 C ATOM 0 H ALA A 35 -35.420 65.769 -27.468 1.00 24.55 H new ATOM 0 HA ALA A 35 -32.736 66.263 -27.478 1.00 21.50 H new ATOM 0 HB1 ALA A 35 -32.538 64.146 -26.214 1.00 20.32 H new ATOM 0 HB2 ALA A 35 -33.947 65.099 -25.689 1.00 20.32 H new ATOM 0 HB3 ALA A 35 -34.172 63.685 -26.746 1.00 20.32 H new ATOM 503 N GLY A 36 -33.384 63.632 -29.378 1.00 64.13 N ATOM 504 CA GLY A 36 -32.837 62.837 -30.462 1.00 1.55 C ATOM 505 C GLY A 36 -31.331 62.686 -30.367 1.00 34.52 C ATOM 506 O GLY A 36 -30.611 62.940 -31.333 1.00 11.22 O ATOM 0 H GLY A 36 -34.309 63.343 -29.060 1.00 64.13 H new ATOM 0 HA2 GLY A 36 -33.299 61.850 -30.454 1.00 1.55 H new ATOM 0 HA3 GLY A 36 -33.093 63.301 -31.414 1.00 1.55 H new ATOM 510 N LEU A 37 -30.853 62.271 -29.199 1.00 72.24 N ATOM 511 CA LEU A 37 -29.424 62.087 -28.979 1.00 35.22 C ATOM 512 C LEU A 37 -29.113 60.644 -28.595 1.00 3.02 C ATOM 513 O LEU A 37 -29.955 59.945 -28.031 1.00 34.20 O ATOM 514 CB LEU A 37 -28.930 63.034 -27.884 1.00 54.43 C ATOM 515 CG LEU A 37 -29.787 63.104 -26.619 1.00 20.45 C ATOM 516 CD1 LEU A 37 -29.358 62.037 -25.625 1.00 62.02 C ATOM 517 CD2 LEU A 37 -29.698 64.487 -25.991 1.00 64.30 C ATOM 0 H LEU A 37 -31.435 62.056 -28.390 1.00 72.24 H new ATOM 0 HA LEU A 37 -28.907 62.316 -29.911 1.00 35.22 H new ATOM 0 HB2 LEU A 37 -27.922 62.733 -27.599 1.00 54.43 H new ATOM 0 HB3 LEU A 37 -28.857 64.037 -28.305 1.00 54.43 H new ATOM 0 HG LEU A 37 -30.825 62.918 -26.895 1.00 20.45 H new ATOM 0 HD11 LEU A 37 -29.979 62.102 -24.731 1.00 62.02 H new ATOM 0 HD12 LEU A 37 -29.474 61.052 -26.076 1.00 62.02 H new ATOM 0 HD13 LEU A 37 -28.314 62.191 -25.354 1.00 62.02 H new ATOM 0 HD21 LEU A 37 -30.314 64.519 -25.092 1.00 64.30 H new ATOM 0 HD22 LEU A 37 -28.662 64.702 -25.729 1.00 64.30 H new ATOM 0 HD23 LEU A 37 -30.054 65.233 -26.701 1.00 64.30 H new ATOM 529 N LEU A 38 -27.898 60.203 -28.905 1.00 4.31 N ATOM 530 CA LEU A 38 -27.474 58.843 -28.591 1.00 44.31 C ATOM 531 C LEU A 38 -26.659 58.810 -27.302 1.00 4.30 C ATOM 532 O LEU A 38 -25.476 59.153 -27.280 1.00 54.42 O ATOM 533 CB LEU A 38 -26.651 58.264 -29.744 1.00 41.35 C ATOM 534 CG LEU A 38 -26.714 56.747 -29.919 1.00 71.12 C ATOM 535 CD1 LEU A 38 -26.287 56.045 -28.640 1.00 13.44 C ATOM 536 CD2 LEU A 38 -28.116 56.315 -30.324 1.00 24.13 C ATOM 0 H LEU A 38 -27.189 60.768 -29.373 1.00 4.31 H new ATOM 0 HA LEU A 38 -28.367 58.235 -28.450 1.00 44.31 H new ATOM 0 HB2 LEU A 38 -26.984 58.731 -30.671 1.00 41.35 H new ATOM 0 HB3 LEU A 38 -25.609 58.550 -29.599 1.00 41.35 H new ATOM 0 HG LEU A 38 -26.024 56.463 -30.713 1.00 71.12 H new ATOM 0 HD11 LEU A 38 -26.338 54.966 -28.783 1.00 13.44 H new ATOM 0 HD12 LEU A 38 -25.265 56.330 -28.392 1.00 13.44 H new ATOM 0 HD13 LEU A 38 -26.952 56.335 -27.826 1.00 13.44 H new ATOM 0 HD21 LEU A 38 -28.143 55.232 -30.444 1.00 24.13 H new ATOM 0 HD22 LEU A 38 -28.826 56.612 -29.552 1.00 24.13 H new ATOM 0 HD23 LEU A 38 -28.385 56.791 -31.267 1.00 24.13 H new ATOM 548 N PRO A 39 -27.302 58.385 -26.206 1.00 62.40 N ATOM 549 CA PRO A 39 -26.654 58.295 -24.894 1.00 73.54 C ATOM 550 C PRO A 39 -25.616 57.180 -24.835 1.00 21.21 C ATOM 551 O PRO A 39 -25.471 56.404 -25.780 1.00 52.01 O ATOM 552 CB PRO A 39 -27.817 57.993 -23.944 1.00 53.13 C ATOM 553 CG PRO A 39 -28.843 57.335 -24.800 1.00 15.02 C ATOM 554 CD PRO A 39 -28.711 57.960 -26.160 1.00 53.13 C ATOM 0 HA PRO A 39 -26.108 59.205 -24.646 1.00 73.54 H new ATOM 0 HB2 PRO A 39 -27.504 57.340 -23.129 1.00 53.13 H new ATOM 0 HB3 PRO A 39 -28.205 58.905 -23.491 1.00 53.13 H new ATOM 0 HG2 PRO A 39 -28.679 56.258 -24.848 1.00 15.02 H new ATOM 0 HG3 PRO A 39 -29.844 57.487 -24.396 1.00 15.02 H new ATOM 0 HD2 PRO A 39 -28.942 57.249 -26.953 1.00 53.13 H new ATOM 0 HD3 PRO A 39 -29.389 58.804 -26.282 1.00 53.13 H new ATOM 562 N GLU A 40 -24.896 57.105 -23.721 1.00 1.41 N ATOM 563 CA GLU A 40 -23.870 56.085 -23.542 1.00 35.24 C ATOM 564 C GLU A 40 -24.482 54.688 -23.573 1.00 50.12 C ATOM 565 O GLU A 40 -25.678 54.501 -23.345 1.00 41.32 O ATOM 566 CB GLU A 40 -23.130 56.300 -22.220 1.00 32.00 C ATOM 567 CG GLU A 40 -22.057 57.374 -22.290 1.00 34.14 C ATOM 568 CD GLU A 40 -20.919 57.001 -23.222 1.00 12.01 C ATOM 569 OE1 GLU A 40 -20.117 56.118 -22.854 1.00 14.23 O ATOM 570 OE2 GLU A 40 -20.833 57.592 -24.318 1.00 12.04 O ATOM 0 H GLU A 40 -25.004 57.738 -22.929 1.00 1.41 H new ATOM 0 HA GLU A 40 -23.161 56.171 -24.365 1.00 35.24 H new ATOM 0 HB2 GLU A 40 -23.852 56.569 -21.449 1.00 32.00 H new ATOM 0 HB3 GLU A 40 -22.672 55.360 -21.913 1.00 32.00 H new ATOM 0 HG2 GLU A 40 -22.505 58.309 -22.626 1.00 34.14 H new ATOM 0 HG3 GLU A 40 -21.660 57.552 -21.291 1.00 34.14 H new ATOM 577 N PRO A 41 -23.643 53.680 -23.861 1.00 54.22 N ATOM 578 CA PRO A 41 -24.079 52.282 -23.929 1.00 2.54 C ATOM 579 C PRO A 41 -24.439 51.721 -22.557 1.00 24.12 C ATOM 580 O PRO A 41 -24.633 50.515 -22.402 1.00 43.13 O ATOM 581 CB PRO A 41 -22.857 51.558 -24.499 1.00 61.34 C ATOM 582 CG PRO A 41 -21.698 52.414 -24.123 1.00 3.33 C ATOM 583 CD PRO A 41 -22.206 53.831 -24.141 1.00 24.33 C ATOM 0 HA PRO A 41 -24.980 52.164 -24.530 1.00 2.54 H new ATOM 0 HB2 PRO A 41 -22.761 50.556 -24.081 1.00 61.34 H new ATOM 0 HB3 PRO A 41 -22.932 51.447 -25.581 1.00 61.34 H new ATOM 0 HG2 PRO A 41 -21.320 52.147 -23.136 1.00 3.33 H new ATOM 0 HG3 PRO A 41 -20.874 52.286 -24.825 1.00 3.33 H new ATOM 0 HD2 PRO A 41 -21.712 54.445 -23.388 1.00 24.33 H new ATOM 0 HD3 PRO A 41 -22.032 54.308 -25.105 1.00 24.33 H new ATOM 591 N ASP A 42 -24.527 52.601 -21.566 1.00 22.44 N ATOM 592 CA ASP A 42 -24.865 52.191 -20.208 1.00 53.34 C ATOM 593 C ASP A 42 -26.087 52.951 -19.700 1.00 3.52 C ATOM 594 O ASP A 42 -25.988 54.115 -19.309 1.00 4.55 O ATOM 595 CB ASP A 42 -23.678 52.424 -19.272 1.00 4.52 C ATOM 596 CG ASP A 42 -22.793 51.201 -19.143 1.00 73.34 C ATOM 597 OD1 ASP A 42 -23.322 50.118 -18.818 1.00 64.40 O ATOM 598 OD2 ASP A 42 -21.572 51.326 -19.368 1.00 12.41 O ATOM 0 H ASP A 42 -24.369 53.603 -21.677 1.00 22.44 H new ATOM 0 HA ASP A 42 -25.102 51.127 -20.224 1.00 53.34 H new ATOM 0 HB2 ASP A 42 -23.085 53.260 -19.643 1.00 4.52 H new ATOM 0 HB3 ASP A 42 -24.047 52.707 -18.286 1.00 4.52 H new ATOM 603 N GLN A 43 -27.237 52.287 -19.712 1.00 40.12 N ATOM 604 CA GLN A 43 -28.478 52.901 -19.254 1.00 71.21 C ATOM 605 C GLN A 43 -28.359 53.352 -17.802 1.00 51.13 C ATOM 606 O GLN A 43 -29.125 54.197 -17.339 1.00 62.15 O ATOM 607 CB GLN A 43 -29.642 51.921 -19.401 1.00 73.54 C ATOM 608 CG GLN A 43 -29.428 50.607 -18.667 1.00 2.32 C ATOM 609 CD GLN A 43 -29.631 49.399 -19.561 1.00 51.02 C ATOM 610 OE1 GLN A 43 -30.473 48.543 -19.286 1.00 45.03 O ATOM 611 NE2 GLN A 43 -28.859 49.323 -20.638 1.00 71.40 N ATOM 0 H GLN A 43 -27.336 51.324 -20.034 1.00 40.12 H new ATOM 0 HA GLN A 43 -28.670 53.777 -19.873 1.00 71.21 H new ATOM 0 HB2 GLN A 43 -30.552 52.392 -19.028 1.00 73.54 H new ATOM 0 HB3 GLN A 43 -29.801 51.715 -20.459 1.00 73.54 H new ATOM 0 HG2 GLN A 43 -28.419 50.585 -18.256 1.00 2.32 H new ATOM 0 HG3 GLN A 43 -30.116 50.550 -17.824 1.00 2.32 H new ATOM 0 HE21 GLN A 43 -28.174 50.055 -20.827 1.00 71.40 H new ATOM 0 HE22 GLN A 43 -28.950 48.533 -21.276 1.00 71.40 H new ATOM 620 N ARG A 44 -27.393 52.782 -17.087 1.00 22.33 N ATOM 621 CA ARG A 44 -27.175 53.124 -15.688 1.00 33.52 C ATOM 622 C ARG A 44 -27.537 54.582 -15.420 1.00 5.32 C ATOM 623 O ARG A 44 -28.246 54.893 -14.464 1.00 64.32 O ATOM 624 CB ARG A 44 -25.717 52.870 -15.299 1.00 61.53 C ATOM 625 CG ARG A 44 -25.558 52.137 -13.978 1.00 24.04 C ATOM 626 CD ARG A 44 -25.910 50.663 -14.113 1.00 32.33 C ATOM 627 NE ARG A 44 -24.907 49.803 -13.491 1.00 32.42 N ATOM 628 CZ ARG A 44 -24.828 49.592 -12.181 1.00 1.45 C ATOM 629 NH1 ARG A 44 -25.689 50.178 -11.361 1.00 54.32 N ATOM 630 NH2 ARG A 44 -23.888 48.795 -11.692 1.00 23.31 N ATOM 0 H ARG A 44 -26.750 52.081 -17.455 1.00 22.33 H new ATOM 0 HA ARG A 44 -27.822 52.490 -15.082 1.00 33.52 H new ATOM 0 HB2 ARG A 44 -25.235 52.290 -16.087 1.00 61.53 H new ATOM 0 HB3 ARG A 44 -25.194 53.824 -15.240 1.00 61.53 H new ATOM 0 HG2 ARG A 44 -24.531 52.236 -13.627 1.00 24.04 H new ATOM 0 HG3 ARG A 44 -26.198 52.598 -13.226 1.00 24.04 H new ATOM 0 HD2 ARG A 44 -26.881 50.478 -13.654 1.00 32.33 H new ATOM 0 HD3 ARG A 44 -26.003 50.407 -15.169 1.00 32.33 H new ATOM 0 HE ARG A 44 -24.229 49.338 -14.095 1.00 32.42 H new ATOM 0 HH11 ARG A 44 -26.413 50.791 -11.735 1.00 54.32 H new ATOM 0 HH12 ARG A 44 -25.628 50.015 -10.356 1.00 54.32 H new ATOM 0 HH21 ARG A 44 -23.225 48.343 -12.321 1.00 23.31 H new ATOM 0 HH22 ARG A 44 -23.828 48.634 -10.687 1.00 23.31 H new ATOM 644 N LYS A 45 -27.044 55.474 -16.274 1.00 11.11 N ATOM 645 CA LYS A 45 -27.315 56.900 -16.133 1.00 61.30 C ATOM 646 C LYS A 45 -27.348 57.584 -17.496 1.00 53.33 C ATOM 647 O LYS A 45 -26.305 57.863 -18.087 1.00 41.31 O ATOM 648 CB LYS A 45 -26.253 57.556 -15.246 1.00 25.30 C ATOM 649 CG LYS A 45 -26.834 58.333 -14.077 1.00 51.11 C ATOM 650 CD LYS A 45 -26.477 59.808 -14.157 1.00 72.34 C ATOM 651 CE LYS A 45 -27.391 60.650 -13.278 1.00 3.12 C ATOM 652 NZ LYS A 45 -26.836 60.822 -11.908 1.00 75.43 N ATOM 0 H LYS A 45 -26.455 55.234 -17.071 1.00 11.11 H new ATOM 0 HA LYS A 45 -28.292 57.015 -15.665 1.00 61.30 H new ATOM 0 HB2 LYS A 45 -25.585 56.785 -14.863 1.00 25.30 H new ATOM 0 HB3 LYS A 45 -25.648 58.229 -15.854 1.00 25.30 H new ATOM 0 HG2 LYS A 45 -27.918 58.220 -14.066 1.00 51.11 H new ATOM 0 HG3 LYS A 45 -26.461 57.917 -13.141 1.00 51.11 H new ATOM 0 HD2 LYS A 45 -25.441 59.950 -13.849 1.00 72.34 H new ATOM 0 HD3 LYS A 45 -26.551 60.146 -15.191 1.00 72.34 H new ATOM 0 HE2 LYS A 45 -27.536 61.628 -13.737 1.00 3.12 H new ATOM 0 HE3 LYS A 45 -28.372 60.178 -13.216 1.00 3.12 H new ATOM 0 HZ1 LYS A 45 -27.487 61.401 -11.340 1.00 75.43 H new ATOM 0 HZ2 LYS A 45 -26.721 59.890 -11.461 1.00 75.43 H new ATOM 0 HZ3 LYS A 45 -25.912 61.295 -11.965 1.00 75.43 H new ATOM 666 N VAL A 46 -28.552 57.855 -17.987 1.00 51.13 N ATOM 667 CA VAL A 46 -28.721 58.510 -19.279 1.00 50.42 C ATOM 668 C VAL A 46 -29.538 59.791 -19.143 1.00 61.44 C ATOM 669 O VAL A 46 -30.740 59.750 -18.883 1.00 61.52 O ATOM 670 CB VAL A 46 -29.410 57.580 -20.294 1.00 62.15 C ATOM 671 CG1 VAL A 46 -30.091 58.391 -21.386 1.00 44.24 C ATOM 672 CG2 VAL A 46 -28.406 56.606 -20.891 1.00 41.21 C ATOM 0 H VAL A 46 -29.425 57.631 -17.510 1.00 51.13 H new ATOM 0 HA VAL A 46 -27.723 58.756 -19.642 1.00 50.42 H new ATOM 0 HB VAL A 46 -30.174 57.005 -19.772 1.00 62.15 H new ATOM 0 HG11 VAL A 46 -30.572 57.716 -22.094 1.00 44.24 H new ATOM 0 HG12 VAL A 46 -30.841 59.044 -20.940 1.00 44.24 H new ATOM 0 HG13 VAL A 46 -29.348 58.995 -21.908 1.00 44.24 H new ATOM 0 HG21 VAL A 46 -28.910 55.956 -21.606 1.00 41.21 H new ATOM 0 HG22 VAL A 46 -27.618 57.162 -21.399 1.00 41.21 H new ATOM 0 HG23 VAL A 46 -27.969 56.001 -20.096 1.00 41.21 H new ATOM 682 N THR A 47 -28.876 60.931 -19.321 1.00 64.53 N ATOM 683 CA THR A 47 -29.541 62.223 -19.219 1.00 44.23 C ATOM 684 C THR A 47 -29.835 62.802 -20.598 1.00 64.52 C ATOM 685 O THR A 47 -28.921 62.911 -21.413 1.00 72.20 O ATOM 686 CB THR A 47 -28.688 63.231 -18.425 1.00 54.24 C ATOM 687 OG1 THR A 47 -28.115 62.591 -17.280 1.00 52.01 O ATOM 688 CG2 THR A 47 -29.528 64.418 -17.980 1.00 52.23 C ATOM 0 H THR A 47 -27.880 60.985 -19.536 1.00 64.53 H new ATOM 0 HA THR A 47 -30.480 62.054 -18.691 1.00 44.23 H new ATOM 0 HB THR A 47 -27.892 63.593 -19.076 1.00 54.24 H new ATOM 0 HG1 THR A 47 -27.573 63.237 -16.781 1.00 52.01 H new ATOM 0 HG21 THR A 47 -28.904 65.116 -17.421 1.00 52.23 H new ATOM 0 HG22 THR A 47 -29.941 64.920 -18.855 1.00 52.23 H new ATOM 0 HG23 THR A 47 -30.342 64.070 -17.344 1.00 52.23 H new ATOM 696 N CYS A 48 -31.092 63.155 -20.828 1.00 31.31 N ATOM 697 CA CYS A 48 -31.489 63.717 -22.108 1.00 75.22 C ATOM 698 C CYS A 48 -30.851 65.101 -22.242 1.00 52.24 C ATOM 699 O CYS A 48 -30.769 65.680 -23.325 1.00 23.42 O ATOM 700 CB CYS A 48 -33.011 63.774 -22.254 1.00 2.23 C ATOM 701 SG CYS A 48 -33.549 65.499 -22.543 1.00 31.24 S ATOM 0 H CYS A 48 -31.848 63.063 -20.150 1.00 31.31 H new ATOM 0 HA CYS A 48 -31.137 63.075 -22.915 1.00 75.22 H new ATOM 0 HB2 CYS A 48 -33.329 63.142 -23.083 1.00 2.23 H new ATOM 0 HB3 CYS A 48 -33.486 63.382 -21.354 1.00 2.23 H new ATOM 706 N GLU A 49 -30.398 65.625 -21.106 1.00 21.43 N ATOM 707 CA GLU A 49 -29.766 66.937 -21.069 1.00 42.32 C ATOM 708 C GLU A 49 -28.302 66.848 -21.493 1.00 14.31 C ATOM 709 O GLU A 49 -27.629 65.850 -21.235 1.00 72.33 O ATOM 710 CB GLU A 49 -29.866 67.537 -19.666 1.00 34.23 C ATOM 711 CG GLU A 49 -28.520 67.729 -18.987 1.00 65.22 C ATOM 712 CD GLU A 49 -28.619 68.540 -17.711 1.00 41.52 C ATOM 713 OE1 GLU A 49 -29.749 68.917 -17.334 1.00 32.13 O ATOM 714 OE2 GLU A 49 -27.568 68.801 -17.090 1.00 5.54 O ATOM 0 H GLU A 49 -30.458 65.160 -20.200 1.00 21.43 H new ATOM 0 HA GLU A 49 -30.291 67.584 -21.771 1.00 42.32 H new ATOM 0 HB2 GLU A 49 -30.373 68.500 -19.727 1.00 34.23 H new ATOM 0 HB3 GLU A 49 -30.486 66.889 -19.047 1.00 34.23 H new ATOM 0 HG2 GLU A 49 -28.090 66.754 -18.760 1.00 65.22 H new ATOM 0 HG3 GLU A 49 -27.837 68.226 -19.676 1.00 65.22 H new ATOM 721 N GLY A 50 -27.815 67.900 -22.145 1.00 60.14 N ATOM 722 CA GLY A 50 -26.435 67.921 -22.594 1.00 4.04 C ATOM 723 C GLY A 50 -25.871 69.325 -22.670 1.00 73.44 C ATOM 724 O GLY A 50 -26.548 70.293 -22.325 1.00 71.22 O ATOM 0 H GLY A 50 -28.352 68.738 -22.370 1.00 60.14 H new ATOM 0 HA2 GLY A 50 -25.826 67.325 -21.915 1.00 4.04 H new ATOM 0 HA3 GLY A 50 -26.369 67.453 -23.576 1.00 4.04 H new ATOM 728 N GLY A 51 -24.625 69.437 -23.121 1.00 71.12 N ATOM 729 CA GLY A 51 -23.991 70.738 -23.231 1.00 12.20 C ATOM 730 C GLY A 51 -24.387 71.473 -24.496 1.00 61.53 C ATOM 731 O GLY A 51 -23.649 72.328 -24.982 1.00 61.00 O ATOM 0 H GLY A 51 -24.044 68.651 -23.412 1.00 71.12 H new ATOM 0 HA2 GLY A 51 -24.258 71.343 -22.365 1.00 12.20 H new ATOM 0 HA3 GLY A 51 -22.908 70.614 -23.211 1.00 12.20 H new ATOM 735 N ASN A 52 -25.556 71.136 -25.032 1.00 34.15 N ATOM 736 CA ASN A 52 -26.048 71.767 -26.250 1.00 62.15 C ATOM 737 C ASN A 52 -27.034 72.885 -25.924 1.00 74.04 C ATOM 738 O ASN A 52 -26.953 73.980 -26.479 1.00 54.40 O ATOM 739 CB ASN A 52 -26.718 70.729 -27.154 1.00 34.11 C ATOM 740 CG ASN A 52 -25.719 69.983 -28.016 1.00 32.22 C ATOM 741 OD1 ASN A 52 -25.600 68.759 -27.929 1.00 14.43 O ATOM 742 ND2 ASN A 52 -24.996 70.716 -28.852 1.00 2.53 N ATOM 0 H ASN A 52 -26.179 70.430 -24.641 1.00 34.15 H new ATOM 0 HA ASN A 52 -25.196 72.199 -26.774 1.00 62.15 H new ATOM 0 HB2 ASN A 52 -27.267 70.016 -26.539 1.00 34.11 H new ATOM 0 HB3 ASN A 52 -27.447 71.225 -27.794 1.00 34.11 H new ATOM 0 HD21 ASN A 52 -24.307 70.269 -29.457 1.00 2.53 H new ATOM 0 HD22 ASN A 52 -25.129 71.727 -28.890 1.00 2.53 H new ATOM 749 N GLY A 53 -27.964 72.601 -25.017 1.00 43.50 N ATOM 750 CA GLY A 53 -28.952 73.592 -24.633 1.00 13.01 C ATOM 751 C GLY A 53 -30.170 72.972 -23.976 1.00 53.02 C ATOM 752 O GLY A 53 -30.647 73.457 -22.950 1.00 14.03 O ATOM 0 H GLY A 53 -28.051 71.703 -24.542 1.00 43.50 H new ATOM 0 HA2 GLY A 53 -28.497 74.307 -23.947 1.00 13.01 H new ATOM 0 HA3 GLY A 53 -29.264 74.151 -25.515 1.00 13.01 H new ATOM 756 N LEU A 54 -30.676 71.898 -24.570 1.00 62.31 N ATOM 757 CA LEU A 54 -31.849 71.210 -24.038 1.00 25.43 C ATOM 758 C LEU A 54 -31.525 70.529 -22.712 1.00 2.42 C ATOM 759 O LEU A 54 -30.368 70.467 -22.300 1.00 50.30 O ATOM 760 CB LEU A 54 -32.358 70.176 -25.044 1.00 73.11 C ATOM 761 CG LEU A 54 -31.306 69.560 -25.965 1.00 42.23 C ATOM 762 CD1 LEU A 54 -31.701 68.144 -26.356 1.00 72.50 C ATOM 763 CD2 LEU A 54 -31.111 70.421 -27.205 1.00 35.20 C ATOM 0 H LEU A 54 -30.294 71.484 -25.420 1.00 62.31 H new ATOM 0 HA LEU A 54 -32.628 71.953 -23.864 1.00 25.43 H new ATOM 0 HB2 LEU A 54 -32.845 69.371 -24.493 1.00 73.11 H new ATOM 0 HB3 LEU A 54 -33.122 70.646 -25.663 1.00 73.11 H new ATOM 0 HG LEU A 54 -30.361 69.516 -25.424 1.00 42.23 H new ATOM 0 HD11 LEU A 54 -30.940 67.722 -27.012 1.00 72.50 H new ATOM 0 HD12 LEU A 54 -31.789 67.530 -25.460 1.00 72.50 H new ATOM 0 HD13 LEU A 54 -32.658 68.164 -26.877 1.00 72.50 H new ATOM 0 HD21 LEU A 54 -30.358 69.966 -27.849 1.00 35.20 H new ATOM 0 HD22 LEU A 54 -32.054 70.497 -27.747 1.00 35.20 H new ATOM 0 HD23 LEU A 54 -30.781 71.417 -26.908 1.00 35.20 H new ATOM 775 N GLY A 55 -32.557 70.017 -22.048 1.00 60.31 N ATOM 776 CA GLY A 55 -32.362 69.346 -20.777 1.00 51.13 C ATOM 777 C GLY A 55 -33.656 69.172 -20.009 1.00 73.35 C ATOM 778 O GLY A 55 -34.127 70.132 -19.400 1.00 41.14 O ATOM 0 H GLY A 55 -33.525 70.055 -22.368 1.00 60.31 H new ATOM 0 HA2 GLY A 55 -31.912 68.369 -20.951 1.00 51.13 H new ATOM 0 HA3 GLY A 55 -31.658 69.918 -20.172 1.00 51.13 H new ATOM 782 N CYS A 56 -34.206 67.967 -20.046 1.00 63.43 N ATOM 783 CA CYS A 56 -35.450 67.689 -19.346 1.00 3.25 C ATOM 784 C CYS A 56 -35.168 67.704 -17.842 1.00 5.31 C ATOM 785 O CYS A 56 -35.753 68.468 -17.076 1.00 23.11 O ATOM 786 CB CYS A 56 -36.069 66.364 -19.798 1.00 10.30 C ATOM 787 SG CYS A 56 -36.817 66.557 -21.456 1.00 70.32 S ATOM 0 H CYS A 56 -33.813 67.172 -20.550 1.00 63.43 H new ATOM 0 HA CYS A 56 -36.185 68.458 -19.585 1.00 3.25 H new ATOM 0 HB2 CYS A 56 -35.306 65.586 -19.823 1.00 10.30 H new ATOM 0 HB3 CYS A 56 -36.827 66.044 -19.083 1.00 10.30 H new ATOM 792 N GLY A 57 -34.248 66.833 -17.434 1.00 62.32 N ATOM 793 CA GLY A 57 -33.884 66.743 -16.033 1.00 20.41 C ATOM 794 C GLY A 57 -34.252 65.402 -15.425 1.00 52.22 C ATOM 795 O GLY A 57 -34.158 65.217 -14.212 1.00 15.30 O ATOM 0 H GLY A 57 -33.750 66.190 -18.049 1.00 62.32 H new ATOM 0 HA2 GLY A 57 -32.811 66.904 -15.928 1.00 20.41 H new ATOM 0 HA3 GLY A 57 -34.382 67.539 -15.479 1.00 20.41 H new ATOM 799 N PHE A 58 -34.671 64.467 -16.269 1.00 61.03 N ATOM 800 CA PHE A 58 -35.056 63.137 -15.807 1.00 40.23 C ATOM 801 C PHE A 58 -34.454 62.056 -16.700 1.00 65.51 C ATOM 802 O PHE A 58 -34.914 61.835 -17.820 1.00 45.23 O ATOM 803 CB PHE A 58 -36.581 63.005 -15.783 1.00 42.11 C ATOM 804 CG PHE A 58 -37.061 61.712 -15.190 1.00 12.14 C ATOM 805 CD1 PHE A 58 -36.968 60.529 -15.906 1.00 12.44 C ATOM 806 CD2 PHE A 58 -37.605 61.679 -13.916 1.00 63.41 C ATOM 807 CE1 PHE A 58 -37.408 59.337 -15.363 1.00 40.11 C ATOM 808 CE2 PHE A 58 -38.047 60.489 -13.369 1.00 34.52 C ATOM 809 CZ PHE A 58 -37.950 59.317 -14.092 1.00 2.13 C ATOM 0 H PHE A 58 -34.753 64.604 -17.276 1.00 61.03 H new ATOM 0 HA PHE A 58 -34.671 63.004 -14.796 1.00 40.23 H new ATOM 0 HB2 PHE A 58 -37.001 63.834 -15.214 1.00 42.11 H new ATOM 0 HB3 PHE A 58 -36.961 63.092 -16.801 1.00 42.11 H new ATOM 0 HD1 PHE A 58 -36.547 60.539 -16.900 1.00 12.44 H new ATOM 0 HD2 PHE A 58 -37.684 62.592 -13.345 1.00 63.41 H new ATOM 0 HE1 PHE A 58 -37.328 58.422 -15.931 1.00 40.11 H new ATOM 0 HE2 PHE A 58 -38.469 60.476 -12.375 1.00 34.52 H new ATOM 0 HZ PHE A 58 -38.297 58.387 -13.666 1.00 2.13 H new ATOM 819 N ALA A 59 -33.424 61.386 -16.195 1.00 52.50 N ATOM 820 CA ALA A 59 -32.761 60.327 -16.944 1.00 52.41 C ATOM 821 C ALA A 59 -33.727 59.192 -17.264 1.00 52.31 C ATOM 822 O ALA A 59 -34.773 59.056 -16.630 1.00 74.42 O ATOM 823 CB ALA A 59 -31.564 59.801 -16.165 1.00 63.34 C ATOM 0 H ALA A 59 -33.031 61.558 -15.270 1.00 52.50 H new ATOM 0 HA ALA A 59 -32.412 60.747 -17.887 1.00 52.41 H new ATOM 0 HB1 ALA A 59 -31.077 59.010 -16.736 1.00 63.34 H new ATOM 0 HB2 ALA A 59 -30.857 60.612 -15.993 1.00 63.34 H new ATOM 0 HB3 ALA A 59 -31.899 59.403 -15.207 1.00 63.34 H new ATOM 829 N PHE A 60 -33.370 58.380 -18.253 1.00 23.00 N ATOM 830 CA PHE A 60 -34.207 57.256 -18.659 1.00 43.14 C ATOM 831 C PHE A 60 -33.357 56.024 -18.955 1.00 40.52 C ATOM 832 O PHE A 60 -32.132 56.109 -18.899 1.00 10.55 O ATOM 833 CB PHE A 60 -35.032 57.628 -19.892 1.00 43.44 C ATOM 834 CG PHE A 60 -34.201 58.078 -21.057 1.00 3.33 C ATOM 835 CD1 PHE A 60 -33.529 59.291 -21.020 1.00 23.55 C ATOM 836 CD2 PHE A 60 -34.089 57.291 -22.191 1.00 4.50 C ATOM 837 CE1 PHE A 60 -32.763 59.708 -22.090 1.00 4.53 C ATOM 838 CE2 PHE A 60 -33.322 57.703 -23.266 1.00 50.35 C ATOM 839 CZ PHE A 60 -32.659 58.914 -23.215 1.00 24.14 C ATOM 0 H PHE A 60 -32.507 58.479 -18.788 1.00 23.00 H new ATOM 0 HA PHE A 60 -34.881 57.021 -17.836 1.00 43.14 H new ATOM 0 HB2 PHE A 60 -35.629 56.767 -20.193 1.00 43.44 H new ATOM 0 HB3 PHE A 60 -35.730 58.422 -19.626 1.00 43.44 H new ATOM 0 HD1 PHE A 60 -33.606 59.917 -20.143 1.00 23.55 H new ATOM 0 HD2 PHE A 60 -34.607 56.344 -22.237 1.00 4.50 H new ATOM 0 HE1 PHE A 60 -32.245 60.655 -22.047 1.00 4.53 H new ATOM 0 HE2 PHE A 60 -33.242 57.079 -24.144 1.00 50.35 H new ATOM 0 HZ PHE A 60 -32.061 59.239 -24.053 1.00 24.14 H new ATOM 849 N CYS A 61 -34.020 54.917 -19.258 1.00 11.34 N ATOM 850 CA CYS A 61 -33.316 53.682 -19.558 1.00 55.31 C ATOM 851 C CYS A 61 -33.238 53.530 -21.077 1.00 52.41 C ATOM 852 O CYS A 61 -34.248 53.447 -21.777 1.00 32.04 O ATOM 853 CB CYS A 61 -33.985 52.474 -18.896 1.00 4.52 C ATOM 854 SG CYS A 61 -33.235 50.926 -19.517 1.00 35.44 S ATOM 0 H CYS A 61 -35.037 54.850 -19.302 1.00 11.34 H new ATOM 0 HA CYS A 61 -32.308 53.726 -19.147 1.00 55.31 H new ATOM 0 HB2 CYS A 61 -33.873 52.534 -17.813 1.00 4.52 H new ATOM 0 HB3 CYS A 61 -35.055 52.480 -19.106 1.00 4.52 H new ATOM 859 N ARG A 62 -32.007 53.495 -21.576 1.00 73.32 N ATOM 860 CA ARG A 62 -31.766 53.354 -23.008 1.00 35.02 C ATOM 861 C ARG A 62 -32.174 51.967 -23.494 1.00 62.11 C ATOM 862 O ARG A 62 -32.512 51.783 -24.663 1.00 52.02 O ATOM 863 CB ARG A 62 -30.290 53.604 -23.325 1.00 31.41 C ATOM 864 CG ARG A 62 -29.456 52.335 -23.382 1.00 13.11 C ATOM 865 CD ARG A 62 -28.073 52.602 -23.955 1.00 14.21 C ATOM 866 NE ARG A 62 -27.936 52.093 -25.317 1.00 33.40 N ATOM 867 CZ ARG A 62 -27.065 52.571 -26.196 1.00 2.32 C ATOM 868 NH1 ARG A 62 -26.257 53.566 -25.860 1.00 51.44 N ATOM 869 NH2 ARG A 62 -27.001 52.054 -27.417 1.00 20.22 N ATOM 0 H ARG A 62 -31.161 53.562 -21.011 1.00 73.32 H new ATOM 0 HA ARG A 62 -32.373 54.095 -23.528 1.00 35.02 H new ATOM 0 HB2 ARG A 62 -30.215 54.121 -24.282 1.00 31.41 H new ATOM 0 HB3 ARG A 62 -29.872 54.269 -22.569 1.00 31.41 H new ATOM 0 HG2 ARG A 62 -29.361 51.915 -22.380 1.00 13.11 H new ATOM 0 HG3 ARG A 62 -29.966 51.590 -23.993 1.00 13.11 H new ATOM 0 HD2 ARG A 62 -27.879 53.675 -23.948 1.00 14.21 H new ATOM 0 HD3 ARG A 62 -27.321 52.138 -23.317 1.00 14.21 H new ATOM 0 HE ARG A 62 -28.544 51.327 -25.609 1.00 33.40 H new ATOM 0 HH11 ARG A 62 -26.304 53.967 -24.923 1.00 51.44 H new ATOM 0 HH12 ARG A 62 -25.588 53.931 -26.538 1.00 51.44 H new ATOM 0 HH21 ARG A 62 -27.622 51.289 -27.680 1.00 20.22 H new ATOM 0 HH22 ARG A 62 -26.331 52.422 -28.092 1.00 20.22 H new ATOM 883 N GLU A 63 -32.138 50.993 -22.589 1.00 32.03 N ATOM 884 CA GLU A 63 -32.503 49.623 -22.927 1.00 22.05 C ATOM 885 C GLU A 63 -33.955 49.545 -23.388 1.00 25.34 C ATOM 886 O GLU A 63 -34.243 48.846 -24.359 1.00 63.52 O ATOM 887 CB GLU A 63 -32.288 48.702 -21.724 1.00 4.45 C ATOM 888 CG GLU A 63 -32.234 47.228 -22.088 1.00 62.32 C ATOM 889 CD GLU A 63 -31.835 46.352 -20.916 1.00 71.14 C ATOM 890 OE1 GLU A 63 -32.019 46.790 -19.760 1.00 63.50 O ATOM 891 OE2 GLU A 63 -31.340 45.231 -21.154 1.00 51.21 O ATOM 0 H GLU A 63 -31.860 51.128 -21.617 1.00 32.03 H new ATOM 0 HA GLU A 63 -31.862 49.295 -23.745 1.00 22.05 H new ATOM 0 HB2 GLU A 63 -31.359 48.979 -21.227 1.00 4.45 H new ATOM 0 HB3 GLU A 63 -33.093 48.861 -21.007 1.00 4.45 H new ATOM 0 HG2 GLU A 63 -33.210 46.913 -22.457 1.00 62.32 H new ATOM 0 HG3 GLU A 63 -31.524 47.084 -22.902 1.00 62.32 H new ATOM 898 N CYS A 64 -34.828 50.256 -22.692 1.00 62.32 N ATOM 899 CA CYS A 64 -36.239 50.257 -23.038 1.00 63.14 C ATOM 900 C CYS A 64 -36.638 51.683 -23.424 1.00 34.43 C ATOM 901 O CYS A 64 -37.807 52.000 -23.639 1.00 61.23 O ATOM 902 CB CYS A 64 -37.103 49.712 -21.898 1.00 5.53 C ATOM 903 SG CYS A 64 -36.707 50.587 -20.341 1.00 54.03 S ATOM 0 H CYS A 64 -34.586 50.836 -21.889 1.00 62.32 H new ATOM 0 HA CYS A 64 -36.408 49.591 -23.884 1.00 63.14 H new ATOM 0 HB2 CYS A 64 -38.159 49.839 -22.138 1.00 5.53 H new ATOM 0 HB3 CYS A 64 -36.930 48.643 -21.778 1.00 5.53 H new ATOM 908 N LYS A 65 -35.629 52.544 -23.508 1.00 50.42 N ATOM 909 CA LYS A 65 -35.844 53.942 -23.867 1.00 74.01 C ATOM 910 C LYS A 65 -37.080 54.499 -23.169 1.00 0.41 C ATOM 911 O LYS A 65 -37.770 55.365 -23.708 1.00 31.34 O ATOM 912 CB LYS A 65 -35.993 54.083 -25.382 1.00 43.51 C ATOM 913 CG LYS A 65 -36.732 52.926 -26.032 1.00 10.13 C ATOM 914 CD LYS A 65 -36.845 53.109 -27.537 1.00 3.13 C ATOM 915 CE LYS A 65 -37.900 54.144 -27.894 1.00 10.14 C ATOM 916 NZ LYS A 65 -39.273 53.676 -27.556 1.00 3.33 N ATOM 0 H LYS A 65 -34.655 52.299 -23.333 1.00 50.42 H new ATOM 0 HA LYS A 65 -34.976 54.513 -23.539 1.00 74.01 H new ATOM 0 HB2 LYS A 65 -36.522 55.010 -25.602 1.00 43.51 H new ATOM 0 HB3 LYS A 65 -35.003 54.168 -25.830 1.00 43.51 H new ATOM 0 HG2 LYS A 65 -36.211 51.993 -25.816 1.00 10.13 H new ATOM 0 HG3 LYS A 65 -37.729 52.841 -25.599 1.00 10.13 H new ATOM 0 HD2 LYS A 65 -35.880 53.417 -27.941 1.00 3.13 H new ATOM 0 HD3 LYS A 65 -37.096 52.156 -28.003 1.00 3.13 H new ATOM 0 HE2 LYS A 65 -37.692 55.073 -27.363 1.00 10.14 H new ATOM 0 HE3 LYS A 65 -37.844 54.367 -28.960 1.00 10.14 H new ATOM 0 HZ1 LYS A 65 -39.971 54.235 -28.087 1.00 3.33 H new ATOM 0 HZ2 LYS A 65 -39.369 52.672 -27.808 1.00 3.33 H new ATOM 0 HZ3 LYS A 65 -39.439 53.794 -26.536 1.00 3.33 H new ATOM 930 N GLU A 66 -37.354 53.998 -21.969 1.00 22.04 N ATOM 931 CA GLU A 66 -38.507 54.447 -21.198 1.00 20.33 C ATOM 932 C GLU A 66 -38.069 55.053 -19.867 1.00 72.43 C ATOM 933 O GLU A 66 -36.881 55.101 -19.557 1.00 51.12 O ATOM 934 CB GLU A 66 -39.468 53.282 -20.950 1.00 15.04 C ATOM 935 CG GLU A 66 -40.738 53.353 -21.779 1.00 73.02 C ATOM 936 CD GLU A 66 -41.502 54.645 -21.566 1.00 63.41 C ATOM 937 OE1 GLU A 66 -41.508 55.150 -20.423 1.00 24.23 O ATOM 938 OE2 GLU A 66 -42.095 55.152 -22.540 1.00 45.22 O ATOM 0 H GLU A 66 -36.793 53.281 -21.509 1.00 22.04 H new ATOM 0 HA GLU A 66 -39.021 55.215 -21.775 1.00 20.33 H new ATOM 0 HB2 GLU A 66 -38.954 52.346 -21.168 1.00 15.04 H new ATOM 0 HB3 GLU A 66 -39.735 53.261 -19.893 1.00 15.04 H new ATOM 0 HG2 GLU A 66 -40.484 53.255 -22.835 1.00 73.02 H new ATOM 0 HG3 GLU A 66 -41.380 52.509 -21.526 1.00 73.02 H new ATOM 945 N ALA A 67 -39.043 55.515 -19.087 1.00 13.24 N ATOM 946 CA ALA A 67 -38.759 56.116 -17.790 1.00 52.51 C ATOM 947 C ALA A 67 -37.883 55.202 -16.940 1.00 3.23 C ATOM 948 O ALA A 67 -38.151 54.005 -16.820 1.00 51.22 O ATOM 949 CB ALA A 67 -40.056 56.434 -17.062 1.00 54.21 C ATOM 0 H ALA A 67 -40.033 55.484 -19.331 1.00 13.24 H new ATOM 0 HA ALA A 67 -38.212 57.044 -17.959 1.00 52.51 H new ATOM 0 HB1 ALA A 67 -39.830 56.882 -16.095 1.00 54.21 H new ATOM 0 HB2 ALA A 67 -40.645 57.132 -17.657 1.00 54.21 H new ATOM 0 HB3 ALA A 67 -40.624 55.516 -16.912 1.00 54.21 H new ATOM 955 N TYR A 68 -36.837 55.770 -16.352 1.00 3.40 N ATOM 956 CA TYR A 68 -35.920 55.005 -15.516 1.00 52.35 C ATOM 957 C TYR A 68 -36.680 54.224 -14.448 1.00 4.20 C ATOM 958 O TYR A 68 -37.474 54.789 -13.696 1.00 74.41 O ATOM 959 CB TYR A 68 -34.901 55.936 -14.855 1.00 72.54 C ATOM 960 CG TYR A 68 -33.661 55.225 -14.362 1.00 23.31 C ATOM 961 CD1 TYR A 68 -33.651 54.574 -13.136 1.00 11.33 C ATOM 962 CD2 TYR A 68 -32.500 55.205 -15.125 1.00 24.13 C ATOM 963 CE1 TYR A 68 -32.518 53.923 -12.682 1.00 52.12 C ATOM 964 CE2 TYR A 68 -31.364 54.556 -14.681 1.00 73.43 C ATOM 965 CZ TYR A 68 -31.379 53.918 -13.460 1.00 35.24 C ATOM 966 OH TYR A 68 -30.249 53.270 -13.011 1.00 65.23 O ATOM 0 H TYR A 68 -36.603 56.759 -16.439 1.00 3.40 H new ATOM 0 HA TYR A 68 -35.393 54.295 -16.154 1.00 52.35 H new ATOM 0 HB2 TYR A 68 -34.608 56.706 -15.569 1.00 72.54 H new ATOM 0 HB3 TYR A 68 -35.376 56.444 -14.016 1.00 72.54 H new ATOM 0 HD1 TYR A 68 -34.543 54.576 -12.526 1.00 11.33 H new ATOM 0 HD2 TYR A 68 -32.485 55.706 -16.082 1.00 24.13 H new ATOM 0 HE1 TYR A 68 -32.525 53.422 -11.725 1.00 52.12 H new ATOM 0 HE2 TYR A 68 -30.470 54.549 -15.287 1.00 73.43 H new ATOM 0 HH TYR A 68 -29.455 53.686 -13.406 1.00 65.23 H new ATOM 976 N HIS A 69 -36.429 52.921 -14.389 1.00 32.43 N ATOM 977 CA HIS A 69 -37.088 52.059 -13.412 1.00 25.43 C ATOM 978 C HIS A 69 -36.080 51.502 -12.412 1.00 4.11 C ATOM 979 O HIS A 69 -34.947 51.181 -12.771 1.00 51.32 O ATOM 980 CB HIS A 69 -37.810 50.912 -14.118 1.00 41.01 C ATOM 981 CG HIS A 69 -37.076 50.386 -15.313 1.00 25.21 C ATOM 982 ND1 HIS A 69 -35.752 50.349 -15.594 1.00 43.22 N flip ATOM 983 CD2 HIS A 69 -37.711 49.815 -16.396 1.00 52.42 C flip ATOM 984 CE1 HIS A 69 -35.612 49.762 -16.828 1.00 12.21 C flip ATOM 985 NE2 HIS A 69 -36.809 49.448 -17.290 1.00 15.31 N flip ATOM 0 H HIS A 69 -35.775 52.438 -15.005 1.00 32.43 H new ATOM 0 HA HIS A 69 -37.818 52.659 -12.869 1.00 25.43 H new ATOM 0 HB2 HIS A 69 -37.962 50.099 -13.409 1.00 41.01 H new ATOM 0 HB3 HIS A 69 -38.797 51.252 -14.430 1.00 41.01 H new ATOM 0 HD1 HIS A 69 -34.998 50.693 -14.999 1.00 43.22 H new ATOM 0 HD2 HIS A 69 -38.779 49.688 -16.498 1.00 52.42 H new ATOM 0 HE1 HIS A 69 -34.676 49.586 -17.337 1.00 12.21 H new ATOM 993 N GLU A 70 -36.500 51.389 -11.156 1.00 55.41 N ATOM 994 CA GLU A 70 -35.632 50.873 -10.104 1.00 73.44 C ATOM 995 C GLU A 70 -35.582 49.348 -10.141 1.00 73.23 C ATOM 996 O GLU A 70 -35.161 48.708 -9.179 1.00 33.44 O ATOM 997 CB GLU A 70 -36.119 51.345 -8.732 1.00 43.44 C ATOM 998 CG GLU A 70 -35.427 52.606 -8.241 1.00 4.52 C ATOM 999 CD GLU A 70 -34.745 52.413 -6.901 1.00 24.25 C ATOM 1000 OE1 GLU A 70 -35.341 51.759 -6.021 1.00 30.15 O ATOM 1001 OE2 GLU A 70 -33.614 52.915 -6.734 1.00 53.41 O ATOM 0 H GLU A 70 -37.435 51.648 -10.842 1.00 55.41 H new ATOM 0 HA GLU A 70 -34.627 51.258 -10.276 1.00 73.44 H new ATOM 0 HB2 GLU A 70 -37.193 51.525 -8.779 1.00 43.44 H new ATOM 0 HB3 GLU A 70 -35.961 50.548 -8.006 1.00 43.44 H new ATOM 0 HG2 GLU A 70 -34.689 52.921 -8.978 1.00 4.52 H new ATOM 0 HG3 GLU A 70 -36.159 53.409 -8.159 1.00 4.52 H new ATOM 1008 N GLY A 71 -36.016 48.773 -11.258 1.00 41.13 N ATOM 1009 CA GLY A 71 -36.015 47.330 -11.399 1.00 22.01 C ATOM 1010 C GLY A 71 -35.276 46.870 -12.641 1.00 34.53 C ATOM 1011 O GLY A 71 -34.047 46.850 -12.668 1.00 14.13 O ATOM 0 H GLY A 71 -36.369 49.282 -12.069 1.00 41.13 H new ATOM 0 HA2 GLY A 71 -35.554 46.882 -10.519 1.00 22.01 H new ATOM 0 HA3 GLY A 71 -37.043 46.971 -11.438 1.00 22.01 H new ATOM 1015 N GLU A 72 -36.029 46.498 -13.671 1.00 65.44 N ATOM 1016 CA GLU A 72 -35.438 46.034 -14.920 1.00 1.10 C ATOM 1017 C GLU A 72 -36.452 46.100 -16.060 1.00 2.43 C ATOM 1018 O GLU A 72 -37.647 46.211 -15.797 1.00 13.30 O ATOM 1019 CB GLU A 72 -34.920 44.602 -14.766 1.00 74.25 C ATOM 1020 CG GLU A 72 -33.435 44.457 -15.053 1.00 71.52 C ATOM 1021 CD GLU A 72 -32.738 43.542 -14.066 1.00 72.10 C ATOM 1022 OE1 GLU A 72 -32.683 42.321 -14.324 1.00 63.42 O ATOM 1023 OE2 GLU A 72 -32.245 44.048 -13.035 1.00 22.44 O ATOM 0 H GLU A 72 -37.049 46.509 -13.665 1.00 65.44 H new ATOM 0 HA GLU A 72 -34.602 46.690 -15.161 1.00 1.10 H new ATOM 0 HB2 GLU A 72 -35.120 44.260 -13.751 1.00 74.25 H new ATOM 0 HB3 GLU A 72 -35.477 43.949 -15.438 1.00 74.25 H new ATOM 0 HG2 GLU A 72 -33.300 44.067 -16.062 1.00 71.52 H new ATOM 0 HG3 GLU A 72 -32.966 45.440 -15.025 1.00 71.52 H new ATOM 1030 N CYS A 73 -35.956 46.029 -17.287 1.00 12.14 N ATOM 1031 CA CYS A 73 -36.826 46.083 -18.449 1.00 65.42 C ATOM 1032 C CYS A 73 -37.777 44.885 -18.392 1.00 61.33 C ATOM 1033 O CYS A 73 -38.996 45.014 -18.522 1.00 33.24 O ATOM 1034 CB CYS A 73 -36.026 46.113 -19.754 1.00 74.20 C ATOM 1035 SG CYS A 73 -34.736 47.407 -19.666 1.00 54.24 S ATOM 0 H CYS A 73 -34.963 45.935 -17.501 1.00 12.14 H new ATOM 0 HA CYS A 73 -37.404 47.007 -18.431 1.00 65.42 H new ATOM 0 HB2 CYS A 73 -35.566 45.141 -19.931 1.00 74.20 H new ATOM 0 HB3 CYS A 73 -36.692 46.308 -20.594 1.00 74.20 H new ATOM 1040 N SER A 74 -37.191 43.710 -18.191 1.00 50.22 N ATOM 1041 CA SER A 74 -37.961 42.474 -18.115 1.00 42.51 C ATOM 1042 C SER A 74 -38.717 42.385 -16.794 1.00 31.22 C ATOM 1043 O SER A 74 -39.856 41.922 -16.747 1.00 30.03 O ATOM 1044 CB SER A 74 -37.040 41.263 -18.272 1.00 3.32 C ATOM 1045 OG SER A 74 -37.586 40.319 -19.178 1.00 14.13 O ATOM 0 H SER A 74 -36.185 43.587 -18.078 1.00 50.22 H new ATOM 0 HA SER A 74 -38.686 42.477 -18.929 1.00 42.51 H new ATOM 0 HB2 SER A 74 -36.063 41.589 -18.628 1.00 3.32 H new ATOM 0 HB3 SER A 74 -36.885 40.792 -17.301 1.00 3.32 H new ATOM 0 HG SER A 74 -36.977 39.556 -19.262 1.00 14.13 H new ATOM 1051 N ALA A 75 -38.073 42.833 -15.721 1.00 21.43 N ATOM 1052 CA ALA A 75 -38.684 42.805 -14.397 1.00 54.31 C ATOM 1053 C ALA A 75 -39.570 44.027 -14.177 1.00 30.31 C ATOM 1054 O ALA A 75 -39.907 44.365 -13.042 1.00 43.33 O ATOM 1055 CB ALA A 75 -37.610 42.730 -13.323 1.00 54.54 C ATOM 0 H ALA A 75 -37.129 43.219 -15.742 1.00 21.43 H new ATOM 0 HA ALA A 75 -39.311 41.916 -14.331 1.00 54.31 H new ATOM 0 HB1 ALA A 75 -38.080 42.710 -12.340 1.00 54.54 H new ATOM 0 HB2 ALA A 75 -37.019 41.825 -13.462 1.00 54.54 H new ATOM 0 HB3 ALA A 75 -36.960 43.602 -13.397 1.00 54.54 H new ATOM 1061 N VAL A 76 -39.945 44.685 -15.269 1.00 43.43 N ATOM 1062 CA VAL A 76 -40.794 45.868 -15.195 1.00 52.33 C ATOM 1063 C VAL A 76 -42.061 45.588 -14.396 1.00 64.54 C ATOM 1064 O VAL A 76 -42.610 44.486 -14.447 1.00 3.22 O ATOM 1065 CB VAL A 76 -41.186 46.366 -16.599 1.00 11.12 C ATOM 1066 CG1 VAL A 76 -42.556 47.026 -16.568 1.00 4.41 C ATOM 1067 CG2 VAL A 76 -40.134 47.326 -17.137 1.00 71.54 C ATOM 0 H VAL A 76 -39.674 44.419 -16.216 1.00 43.43 H new ATOM 0 HA VAL A 76 -40.214 46.641 -14.691 1.00 52.33 H new ATOM 0 HB VAL A 76 -41.238 45.508 -17.269 1.00 11.12 H new ATOM 0 HG11 VAL A 76 -42.816 47.372 -17.569 1.00 4.41 H new ATOM 0 HG12 VAL A 76 -43.300 46.305 -16.228 1.00 4.41 H new ATOM 0 HG13 VAL A 76 -42.535 47.875 -15.885 1.00 4.41 H new ATOM 0 HG21 VAL A 76 -40.427 47.668 -18.130 1.00 71.54 H new ATOM 0 HG22 VAL A 76 -40.048 48.183 -16.469 1.00 71.54 H new ATOM 0 HG23 VAL A 76 -39.173 46.815 -17.198 1.00 71.54 H new ATOM 1077 N PHE A 77 -42.522 46.590 -13.655 1.00 2.35 N ATOM 1078 CA PHE A 77 -43.724 46.452 -12.843 1.00 72.11 C ATOM 1079 C PHE A 77 -43.609 45.258 -11.899 1.00 3.02 C ATOM 1080 O PHE A 77 -44.547 44.476 -11.755 1.00 13.11 O ATOM 1081 CB PHE A 77 -44.955 46.291 -13.739 1.00 21.14 C ATOM 1082 CG PHE A 77 -46.245 46.192 -12.975 1.00 15.33 C ATOM 1083 CD1 PHE A 77 -46.674 47.243 -12.180 1.00 60.12 C ATOM 1084 CD2 PHE A 77 -47.025 45.051 -13.051 1.00 32.33 C ATOM 1085 CE1 PHE A 77 -47.861 47.157 -11.476 1.00 73.21 C ATOM 1086 CE2 PHE A 77 -48.212 44.959 -12.349 1.00 31.52 C ATOM 1087 CZ PHE A 77 -48.630 46.013 -11.560 1.00 63.41 C ATOM 0 H PHE A 77 -42.080 47.508 -13.600 1.00 2.35 H new ATOM 0 HA PHE A 77 -43.834 47.357 -12.245 1.00 72.11 H new ATOM 0 HB2 PHE A 77 -45.011 47.139 -14.422 1.00 21.14 H new ATOM 0 HB3 PHE A 77 -44.835 45.397 -14.350 1.00 21.14 H new ATOM 0 HD1 PHE A 77 -46.075 48.139 -12.110 1.00 60.12 H new ATOM 0 HD2 PHE A 77 -46.702 44.224 -13.666 1.00 32.33 H new ATOM 0 HE1 PHE A 77 -48.186 47.983 -10.861 1.00 73.21 H new ATOM 0 HE2 PHE A 77 -48.812 44.064 -12.417 1.00 31.52 H new ATOM 0 HZ PHE A 77 -49.557 45.943 -11.010 1.00 63.41 H new ATOM 1097 N GLU A 78 -42.450 45.127 -11.261 1.00 30.32 N ATOM 1098 CA GLU A 78 -42.212 44.028 -10.331 1.00 2.23 C ATOM 1099 C GLU A 78 -43.226 44.048 -9.193 1.00 72.31 C ATOM 1100 O GLU A 78 -43.609 43.002 -8.669 1.00 40.11 O ATOM 1101 CB GLU A 78 -40.792 44.109 -9.766 1.00 22.01 C ATOM 1102 CG GLU A 78 -40.527 43.120 -8.644 1.00 24.33 C ATOM 1103 CD GLU A 78 -40.491 41.683 -9.127 1.00 3.11 C ATOM 1104 OE1 GLU A 78 -39.576 41.342 -9.905 1.00 41.42 O ATOM 1105 OE2 GLU A 78 -41.380 40.901 -8.729 1.00 3.02 O ATOM 0 H GLU A 78 -41.663 45.766 -11.370 1.00 30.32 H new ATOM 0 HA GLU A 78 -42.326 43.092 -10.878 1.00 2.23 H new ATOM 0 HB2 GLU A 78 -40.079 43.932 -10.571 1.00 22.01 H new ATOM 0 HB3 GLU A 78 -40.613 45.119 -9.398 1.00 22.01 H new ATOM 0 HG2 GLU A 78 -39.577 43.363 -8.168 1.00 24.33 H new ATOM 0 HG3 GLU A 78 -41.301 43.224 -7.883 1.00 24.33 H new ATOM 1112 N ALA A 79 -43.657 45.246 -8.814 1.00 51.12 N ATOM 1113 CA ALA A 79 -44.628 45.404 -7.738 1.00 74.41 C ATOM 1114 C ALA A 79 -46.002 44.897 -8.160 1.00 50.43 C ATOM 1115 O ALA A 79 -46.289 44.771 -9.350 1.00 51.03 O ATOM 1116 CB ALA A 79 -44.708 46.862 -7.309 1.00 62.54 C ATOM 0 H ALA A 79 -43.349 46.122 -9.236 1.00 51.12 H new ATOM 0 HA ALA A 79 -44.295 44.806 -6.890 1.00 74.41 H new ATOM 0 HB1 ALA A 79 -45.437 46.965 -6.505 1.00 62.54 H new ATOM 0 HB2 ALA A 79 -43.730 47.192 -6.957 1.00 62.54 H new ATOM 0 HB3 ALA A 79 -45.014 47.475 -8.157 1.00 62.54 H new ATOM 1122 N SER A 80 -46.849 44.609 -7.179 1.00 34.12 N ATOM 1123 CA SER A 80 -48.194 44.111 -7.448 1.00 63.20 C ATOM 1124 C SER A 80 -49.211 45.247 -7.410 1.00 74.14 C ATOM 1125 O SER A 80 -50.237 45.198 -8.089 1.00 53.11 O ATOM 1126 CB SER A 80 -48.576 43.034 -6.431 1.00 62.33 C ATOM 1127 OG SER A 80 -48.712 41.769 -7.055 1.00 71.10 O ATOM 0 H SER A 80 -46.629 44.712 -6.188 1.00 34.12 H new ATOM 0 HA SER A 80 -48.200 43.674 -8.447 1.00 63.20 H new ATOM 0 HB2 SER A 80 -47.816 42.979 -5.652 1.00 62.33 H new ATOM 0 HB3 SER A 80 -49.513 43.305 -5.944 1.00 62.33 H new ATOM 0 HG SER A 80 -48.955 41.098 -6.384 1.00 71.10 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -35.699 65.785 -23.314 1.00 42.42 ZN HETATM 1135 ZN ZN A 401 -35.054 49.584 -19.076 1.00 43.10 ZN