USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 88 HIS : no HD1:sc= -2.96 K(o=-4.8,f=-1.6) USER MOD Set 1.2: A 89 ASN : amide:sc= -1.86 K(o=-4.8,f=-1.6) USER MOD Set 2.1: A 75 MET CE :methyl -157:sc= -0.0716 (180deg=-0.468) USER MOD Set 2.2: A 79 MET CE :methyl 167:sc= -3.8! (180deg=-4.19) USER MOD Set 3.1: A 69 MET CE :methyl 173:sc= 0 (180deg=-0.0289) USER MOD Set 3.2: A 72 ASN : amide:sc= -0.0569 K(o=-0.057,f=-2.1) USER MOD Set 4.1: A 20 MET CE :methyl -166:sc= -0.86! (180deg=-1.02!) USER MOD Set 4.2: A 63 MET CE :methyl 139:sc= -5! (180deg=-11!) USER MOD Set 5.1: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 54 GLN : amide:sc= -2.11! C(o=-2!,f=-5.8!) USER MOD Set 5.3: A 57 ASN : amide:sc= 0.125 K(o=-2,f=-2.8) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 13 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.9) USER MOD Single : A 14 GLN : amide:sc= -6.7! C(o=-6.7!,f=-6.4!) USER MOD Single : A 15 MET CE :methyl 148:sc= -8.53! (180deg=-9.92!) USER MOD Single : A 22 ASN : amide:sc= -1.66! C(o=-1.7!,f=-1.6!) USER MOD Single : A 23 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.34) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.00612) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0977 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.303 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -5.63 X(o=-5.6,f=-6.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 164:sc= -7.51! (180deg=-8.24!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl 174:sc= -1.58 (180deg=-2.02) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 1.05 K(o=1.1,f=-0.25) USER MOD Single : A 97 MET CE :methyl 178:sc= -0.526 (180deg=-0.556) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.754 -5.639 10.679 1.00 0.00 N ATOM 2 CA PRO A 1 2.212 -4.280 11.054 1.00 0.00 C ATOM 3 C PRO A 1 3.178 -3.688 10.062 1.00 0.00 C ATOM 4 O PRO A 1 3.040 -2.513 9.778 1.00 0.00 O ATOM 5 CB PRO A 1 2.746 -4.311 12.486 1.00 0.00 C ATOM 6 CG PRO A 1 3.135 -5.773 12.726 1.00 0.00 C ATOM 7 CD PRO A 1 2.468 -6.528 11.600 1.00 0.00 C ATOM 0 H2 PRO A 1 1.978 -5.852 9.707 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.743 -5.732 10.780 1.00 0.00 H new ATOM 0 HA PRO A 1 1.360 -3.601 11.023 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.604 -3.649 12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.989 -3.981 13.198 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.217 -5.905 12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.788 -6.122 13.699 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.220 -7.091 11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.769 -7.253 12.016 1.00 0.00 H new ATOM 15 N TYR A 2 4.142 -4.475 9.610 1.00 0.00 N ATOM 16 CA TYR A 2 5.200 -4.061 8.703 1.00 0.00 C ATOM 17 C TYR A 2 5.743 -5.287 7.956 1.00 0.00 C ATOM 18 O TYR A 2 5.777 -5.302 6.735 1.00 0.00 O ATOM 19 CB TYR A 2 6.295 -3.321 9.499 1.00 0.00 C ATOM 20 CG TYR A 2 7.058 -4.193 10.474 1.00 0.00 C ATOM 21 CD1 TYR A 2 6.445 -4.632 11.668 1.00 0.00 C ATOM 22 CD2 TYR A 2 8.356 -4.644 10.158 1.00 0.00 C ATOM 23 CE1 TYR A 2 7.097 -5.507 12.541 1.00 0.00 C ATOM 24 CE2 TYR A 2 9.037 -5.491 11.039 1.00 0.00 C ATOM 25 CZ TYR A 2 8.426 -5.931 12.250 1.00 0.00 C ATOM 26 OH TYR A 2 9.107 -6.678 13.133 1.00 0.00 O ATOM 0 H TYR A 2 4.211 -5.457 9.875 1.00 0.00 H new ATOM 0 HA TYR A 2 4.815 -3.369 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 2 7.001 -2.879 8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.835 -2.500 10.048 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.452 -4.284 11.911 1.00 0.00 H new ATOM 0 HD2 TYR A 2 8.825 -4.335 9.235 1.00 0.00 H new ATOM 0 HE1 TYR A 2 6.597 -5.860 13.431 1.00 0.00 H new ATOM 0 HE2 TYR A 2 10.039 -5.816 10.799 1.00 0.00 H new ATOM 0 HH TYR A 2 9.997 -6.879 12.774 1.00 0.00 H new ATOM 36 N GLY A 3 6.069 -6.350 8.713 1.00 0.00 N ATOM 37 CA GLY A 3 6.708 -7.568 8.230 1.00 0.00 C ATOM 38 C GLY A 3 8.147 -7.288 7.819 1.00 0.00 C ATOM 39 O GLY A 3 8.408 -6.475 6.935 1.00 0.00 O ATOM 0 H GLY A 3 5.884 -6.376 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.688 -8.330 9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.152 -7.965 7.381 1.00 0.00 H new ATOM 43 N ARG A 4 9.127 -7.924 8.475 1.00 0.00 N ATOM 44 CA ARG A 4 10.525 -7.787 8.054 1.00 0.00 C ATOM 45 C ARG A 4 10.791 -8.637 6.810 1.00 0.00 C ATOM 46 O ARG A 4 10.293 -9.747 6.675 1.00 0.00 O ATOM 47 CB ARG A 4 11.428 -8.212 9.205 1.00 0.00 C ATOM 48 CG ARG A 4 12.889 -7.841 8.917 1.00 0.00 C ATOM 49 CD ARG A 4 13.821 -8.541 9.893 1.00 0.00 C ATOM 50 NE ARG A 4 14.536 -7.580 10.749 1.00 0.00 N ATOM 51 CZ ARG A 4 15.382 -7.888 11.704 1.00 0.00 C ATOM 52 NH1 ARG A 4 15.684 -9.117 11.972 1.00 0.00 N ATOM 53 NH2 ARG A 4 15.936 -6.949 12.399 1.00 0.00 N ATOM 0 H ARG A 4 8.981 -8.527 9.284 1.00 0.00 H new ATOM 0 HA ARG A 4 10.734 -6.749 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.101 -7.731 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.345 -9.288 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.146 -8.121 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.018 -6.761 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.247 -9.226 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.542 -9.142 9.340 1.00 0.00 H new ATOM 0 HE ARG A 4 14.359 -6.589 10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.261 -9.875 11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.345 -9.328 12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 4 15.715 -5.972 12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.594 -7.185 13.142 1.00 0.00 H new ATOM 67 N GLY A 5 11.648 -8.135 5.930 1.00 0.00 N ATOM 68 CA GLY A 5 12.085 -8.852 4.747 1.00 0.00 C ATOM 69 C GLY A 5 12.845 -7.918 3.829 1.00 0.00 C ATOM 70 O GLY A 5 12.587 -6.716 3.786 1.00 0.00 O ATOM 0 H GLY A 5 12.062 -7.207 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.720 -9.691 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.224 -9.268 4.225 1.00 0.00 H new ATOM 74 N ARG A 6 13.835 -8.450 3.112 1.00 0.00 N ATOM 75 CA ARG A 6 14.643 -7.665 2.184 1.00 0.00 C ATOM 76 C ARG A 6 15.174 -8.552 1.079 1.00 0.00 C ATOM 77 O ARG A 6 16.216 -9.188 1.242 1.00 0.00 O ATOM 78 CB ARG A 6 15.796 -6.973 2.933 1.00 0.00 C ATOM 79 CG ARG A 6 16.350 -5.840 2.048 1.00 0.00 C ATOM 80 CD ARG A 6 17.876 -5.830 2.003 1.00 0.00 C ATOM 81 NE ARG A 6 18.451 -4.842 2.939 1.00 0.00 N ATOM 82 CZ ARG A 6 19.668 -4.343 2.889 1.00 0.00 C ATOM 83 NH1 ARG A 6 20.514 -4.712 1.981 1.00 0.00 N ATOM 84 NH2 ARG A 6 20.050 -3.460 3.756 1.00 0.00 N ATOM 0 H ARG A 6 14.097 -9.435 3.159 1.00 0.00 H new ATOM 0 HA ARG A 6 14.018 -6.893 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.443 -6.572 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.582 -7.692 3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.960 -5.949 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.994 -4.881 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.252 -6.823 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.207 -5.605 0.989 1.00 0.00 H new ATOM 0 HE ARG A 6 17.848 -4.516 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 6 20.243 -5.405 1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.451 -4.310 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.406 -3.147 4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.994 -3.077 3.712 1.00 0.00 H new ATOM 98 N THR A 7 14.443 -8.629 -0.016 1.00 0.00 N ATOM 99 CA THR A 7 14.758 -9.497 -1.145 1.00 0.00 C ATOM 100 C THR A 7 14.707 -8.688 -2.437 1.00 0.00 C ATOM 101 O THR A 7 14.667 -7.454 -2.416 1.00 0.00 O ATOM 102 CB THR A 7 13.798 -10.700 -1.122 1.00 0.00 C ATOM 103 OG1 THR A 7 12.458 -10.264 -1.216 1.00 0.00 O ATOM 104 CG2 THR A 7 13.916 -11.560 0.154 1.00 0.00 C ATOM 0 H THR A 7 13.594 -8.080 -0.153 1.00 0.00 H new ATOM 0 HA THR A 7 15.770 -9.896 -1.078 1.00 0.00 H new ATOM 0 HB THR A 7 14.084 -11.312 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.860 -11.040 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.210 -12.389 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.930 -11.951 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.691 -10.948 1.027 1.00 0.00 H new ATOM 112 N GLU A 8 14.777 -9.376 -3.569 1.00 0.00 N ATOM 113 CA GLU A 8 14.711 -8.743 -4.873 1.00 0.00 C ATOM 114 C GLU A 8 13.277 -8.289 -5.200 1.00 0.00 C ATOM 115 O GLU A 8 12.353 -8.359 -4.381 1.00 0.00 O ATOM 116 CB GLU A 8 15.277 -9.702 -5.930 1.00 0.00 C ATOM 117 CG GLU A 8 16.644 -10.313 -5.557 1.00 0.00 C ATOM 118 CD GLU A 8 17.737 -9.822 -6.504 1.00 0.00 C ATOM 119 OE1 GLU A 8 17.705 -10.221 -7.690 1.00 0.00 O ATOM 120 OE2 GLU A 8 18.570 -9.019 -6.031 1.00 0.00 O ATOM 0 H GLU A 8 14.881 -10.390 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 8 15.321 -7.840 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.563 -10.509 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.375 -9.168 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.899 -10.046 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.584 -11.401 -5.597 1.00 0.00 H new ATOM 127 N SER A 9 13.068 -7.823 -6.430 1.00 0.00 N ATOM 128 CA SER A 9 11.748 -7.470 -6.929 1.00 0.00 C ATOM 129 C SER A 9 10.920 -8.711 -7.255 1.00 0.00 C ATOM 130 O SER A 9 11.345 -9.854 -7.111 1.00 0.00 O ATOM 131 CB SER A 9 11.904 -6.555 -8.144 1.00 0.00 C ATOM 132 OG SER A 9 11.664 -5.234 -7.719 1.00 0.00 O ATOM 0 H SER A 9 13.816 -7.680 -7.109 1.00 0.00 H new ATOM 0 HA SER A 9 11.202 -6.936 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.905 -6.645 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.202 -6.838 -8.928 1.00 0.00 H new ATOM 0 HG SER A 9 11.759 -4.623 -8.480 1.00 0.00 H new ATOM 138 N GLY A 10 9.697 -8.494 -7.739 1.00 0.00 N ATOM 139 CA GLY A 10 8.829 -9.580 -8.184 1.00 0.00 C ATOM 140 C GLY A 10 7.413 -9.207 -7.857 1.00 0.00 C ATOM 141 O GLY A 10 6.744 -8.546 -8.648 1.00 0.00 O ATOM 0 H GLY A 10 9.284 -7.566 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.942 -9.743 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.101 -10.512 -7.689 1.00 0.00 H new ATOM 145 N CYS A 11 7.010 -9.488 -6.605 1.00 0.00 N ATOM 146 CA CYS A 11 5.688 -9.132 -6.144 1.00 0.00 C ATOM 147 C CYS A 11 5.427 -7.621 -6.132 1.00 0.00 C ATOM 148 O CYS A 11 4.286 -7.203 -5.989 1.00 0.00 O ATOM 149 CB CYS A 11 5.421 -9.638 -4.726 1.00 0.00 C ATOM 150 SG CYS A 11 5.469 -11.400 -4.305 1.00 0.00 S ATOM 0 H CYS A 11 7.589 -9.958 -5.910 1.00 0.00 H new ATOM 0 HA CYS A 11 5.022 -9.608 -6.863 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.140 -9.141 -4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.432 -9.275 -4.445 1.00 0.00 H new ATOM 155 N TYR A 12 6.504 -6.837 -6.242 1.00 0.00 N ATOM 156 CA TYR A 12 6.527 -5.400 -6.453 1.00 0.00 C ATOM 157 C TYR A 12 6.229 -4.986 -7.889 1.00 0.00 C ATOM 158 O TYR A 12 5.316 -4.212 -8.107 1.00 0.00 O ATOM 159 CB TYR A 12 7.915 -4.900 -6.053 1.00 0.00 C ATOM 160 CG TYR A 12 8.093 -3.423 -6.250 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.240 -2.515 -5.592 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.082 -2.944 -7.131 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.456 -1.139 -5.703 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.266 -1.571 -7.309 1.00 0.00 C ATOM 165 CZ TYR A 12 8.475 -0.640 -6.574 1.00 0.00 C ATOM 166 OH TYR A 12 8.721 0.673 -6.697 1.00 0.00 O ATOM 0 H TYR A 12 7.445 -7.225 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 12 5.737 -4.957 -5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.094 -5.144 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.667 -5.431 -6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.416 -2.884 -4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.702 -3.643 -7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.852 -0.451 -5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.010 -1.213 -8.006 1.00 0.00 H new ATOM 0 HH TYR A 12 9.451 0.811 -7.336 1.00 0.00 H new ATOM 176 N GLN A 13 6.952 -5.553 -8.863 1.00 0.00 N ATOM 177 CA GLN A 13 6.704 -5.269 -10.280 1.00 0.00 C ATOM 178 C GLN A 13 5.248 -5.538 -10.673 1.00 0.00 C ATOM 179 O GLN A 13 4.600 -4.734 -11.315 1.00 0.00 O ATOM 180 CB GLN A 13 7.663 -6.089 -11.155 1.00 0.00 C ATOM 181 CG GLN A 13 7.268 -6.075 -12.648 1.00 0.00 C ATOM 182 CD GLN A 13 6.300 -7.214 -12.997 1.00 0.00 C ATOM 183 OE1 GLN A 13 5.107 -7.099 -13.172 1.00 0.00 O ATOM 184 NE2 GLN A 13 6.793 -8.430 -13.063 1.00 0.00 N ATOM 0 H GLN A 13 7.713 -6.211 -8.695 1.00 0.00 H new ATOM 0 HA GLN A 13 6.888 -4.207 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.673 -5.695 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.683 -7.119 -10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.805 -5.119 -12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.165 -6.161 -13.261 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.792 -8.584 -12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.177 -9.220 -13.254 1.00 0.00 H new ATOM 193 N GLN A 14 4.702 -6.675 -10.233 1.00 0.00 N ATOM 194 CA GLN A 14 3.292 -6.993 -10.523 1.00 0.00 C ATOM 195 C GLN A 14 2.315 -6.099 -9.739 1.00 0.00 C ATOM 196 O GLN A 14 1.141 -5.982 -10.072 1.00 0.00 O ATOM 197 CB GLN A 14 3.001 -8.468 -10.207 1.00 0.00 C ATOM 198 CG GLN A 14 3.616 -8.893 -8.867 1.00 0.00 C ATOM 199 CD GLN A 14 2.733 -9.784 -8.001 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.065 -10.721 -8.388 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.685 -9.499 -6.709 1.00 0.00 N ATOM 0 H GLN A 14 5.197 -7.380 -9.686 1.00 0.00 H new ATOM 0 HA GLN A 14 3.138 -6.803 -11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.923 -8.629 -10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.397 -9.096 -11.005 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.551 -9.417 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.867 -7.997 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.230 -8.720 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.104 -10.058 -6.085 1.00 0.00 H new ATOM 210 N MET A 15 2.813 -5.473 -8.666 1.00 0.00 N ATOM 211 CA MET A 15 2.058 -4.539 -7.842 1.00 0.00 C ATOM 212 C MET A 15 1.817 -3.184 -8.495 1.00 0.00 C ATOM 213 O MET A 15 0.674 -2.781 -8.594 1.00 0.00 O ATOM 214 CB MET A 15 2.781 -4.265 -6.540 1.00 0.00 C ATOM 215 CG MET A 15 1.759 -3.893 -5.490 1.00 0.00 C ATOM 216 SD MET A 15 2.591 -2.859 -4.308 1.00 0.00 S ATOM 217 CE MET A 15 3.821 -4.030 -3.741 1.00 0.00 C ATOM 0 H MET A 15 3.772 -5.608 -8.345 1.00 0.00 H new ATOM 0 HA MET A 15 1.098 -5.031 -7.688 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.342 -5.145 -6.226 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.501 -3.457 -6.670 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.917 -3.366 -5.939 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.357 -4.785 -5.009 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.733 -3.498 -3.471 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.441 -4.564 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.039 -4.742 -4.537 1.00 0.00 H new ATOM 227 N GLU A 16 2.893 -2.468 -8.859 1.00 0.00 N ATOM 228 CA GLU A 16 2.815 -1.201 -9.585 1.00 0.00 C ATOM 229 C GLU A 16 1.970 -1.346 -10.854 1.00 0.00 C ATOM 230 O GLU A 16 1.109 -0.518 -11.130 1.00 0.00 O ATOM 231 CB GLU A 16 4.214 -0.620 -9.930 1.00 0.00 C ATOM 232 CG GLU A 16 5.216 -1.703 -10.356 1.00 0.00 C ATOM 233 CD GLU A 16 6.420 -1.301 -11.218 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.315 -0.342 -12.038 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.447 -1.993 -11.100 1.00 0.00 O ATOM 0 H GLU A 16 3.848 -2.760 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 16 2.329 -0.491 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.112 0.111 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.606 -0.089 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.601 -2.171 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.662 -2.469 -10.899 1.00 0.00 H new ATOM 242 N GLU A 17 2.150 -2.449 -11.589 1.00 0.00 N ATOM 243 CA GLU A 17 1.385 -2.740 -12.805 1.00 0.00 C ATOM 244 C GLU A 17 -0.117 -2.919 -12.493 1.00 0.00 C ATOM 245 O GLU A 17 -0.978 -2.712 -13.357 1.00 0.00 O ATOM 246 CB GLU A 17 1.942 -4.010 -13.476 1.00 0.00 C ATOM 247 CG GLU A 17 1.610 -4.007 -14.971 1.00 0.00 C ATOM 248 CD GLU A 17 1.820 -5.365 -15.656 1.00 0.00 C ATOM 249 OE1 GLU A 17 2.916 -5.967 -15.485 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.895 -5.795 -16.375 1.00 0.00 O ATOM 0 H GLU A 17 2.834 -3.168 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 17 1.487 -1.894 -13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.022 -4.060 -13.336 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.518 -4.896 -13.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.572 -3.701 -15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.228 -3.260 -15.469 1.00 0.00 H new ATOM 257 N ALA A 18 -0.437 -3.281 -11.243 1.00 0.00 N ATOM 258 CA ALA A 18 -1.775 -3.526 -10.746 1.00 0.00 C ATOM 259 C ALA A 18 -2.041 -2.712 -9.469 1.00 0.00 C ATOM 260 O ALA A 18 -2.658 -3.225 -8.546 1.00 0.00 O ATOM 261 CB ALA A 18 -1.985 -5.054 -10.624 1.00 0.00 C ATOM 0 H ALA A 18 0.274 -3.414 -10.524 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.533 -3.170 -11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.989 -5.255 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.863 -5.517 -11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.251 -5.468 -9.932 1.00 0.00 H new ATOM 267 N GLU A 19 -1.572 -1.450 -9.438 1.00 0.00 N ATOM 268 CA GLU A 19 -1.693 -0.485 -8.368 1.00 0.00 C ATOM 269 C GLU A 19 -2.982 -0.695 -7.545 1.00 0.00 C ATOM 270 O GLU A 19 -4.015 -0.024 -7.670 1.00 0.00 O ATOM 271 CB GLU A 19 -1.560 0.953 -8.869 1.00 0.00 C ATOM 272 CG GLU A 19 -2.007 1.168 -10.308 1.00 0.00 C ATOM 273 CD GLU A 19 -2.605 2.576 -10.469 1.00 0.00 C ATOM 274 OE1 GLU A 19 -3.796 2.740 -10.158 1.00 0.00 O ATOM 275 OE2 GLU A 19 -1.845 3.516 -10.875 1.00 0.00 O ATOM 0 H GLU A 19 -1.060 -1.064 -10.232 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.855 -0.658 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.144 1.605 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.519 1.261 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.160 1.044 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.747 0.416 -10.584 1.00 0.00 H new ATOM 282 N MET A 20 -2.882 -1.607 -6.564 1.00 0.00 N ATOM 283 CA MET A 20 -4.040 -2.058 -5.819 1.00 0.00 C ATOM 284 C MET A 20 -4.272 -1.106 -4.657 1.00 0.00 C ATOM 285 O MET A 20 -5.321 -0.480 -4.442 1.00 0.00 O ATOM 286 CB MET A 20 -3.862 -3.523 -5.402 1.00 0.00 C ATOM 287 CG MET A 20 -2.706 -3.726 -4.437 1.00 0.00 C ATOM 288 SD MET A 20 -2.271 -5.417 -4.165 1.00 0.00 S ATOM 289 CE MET A 20 -0.910 -5.187 -2.992 1.00 0.00 C ATOM 0 H MET A 20 -2.004 -2.039 -6.278 1.00 0.00 H new ATOM 0 HA MET A 20 -4.939 -2.037 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.782 -3.878 -4.939 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.698 -4.131 -6.291 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.833 -3.196 -4.818 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.963 -3.271 -3.480 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.351 -6.118 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.247 -4.401 -3.353 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.312 -4.904 -2.019 1.00 0.00 H new ATOM 299 N LEU A 21 -3.201 -0.913 -3.895 1.00 0.00 N ATOM 300 CA LEU A 21 -3.153 -0.067 -2.736 1.00 0.00 C ATOM 301 C LEU A 21 -2.716 1.342 -3.113 1.00 0.00 C ATOM 302 O LEU A 21 -1.963 2.011 -2.419 1.00 0.00 O ATOM 303 CB LEU A 21 -2.285 -0.756 -1.693 1.00 0.00 C ATOM 304 CG LEU A 21 -3.092 -1.505 -0.610 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.762 -0.585 0.427 1.00 0.00 C ATOM 306 CD2 LEU A 21 -4.122 -2.430 -1.170 1.00 0.00 C ATOM 0 H LEU A 21 -2.309 -1.368 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.139 0.073 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.623 -1.462 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.651 -0.011 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.329 -2.092 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.308 -1.190 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.999 -0.002 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.454 0.089 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.651 -2.923 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.832 -1.863 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.636 -3.181 -1.793 1.00 0.00 H new ATOM 318 N ASN A 22 -3.279 1.839 -4.214 1.00 0.00 N ATOM 319 CA ASN A 22 -3.041 3.189 -4.690 1.00 0.00 C ATOM 320 C ASN A 22 -4.247 4.079 -4.425 1.00 0.00 C ATOM 321 O ASN A 22 -4.164 5.224 -3.981 1.00 0.00 O ATOM 322 CB ASN A 22 -2.727 3.075 -6.176 1.00 0.00 C ATOM 323 CG ASN A 22 -1.235 2.927 -6.370 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.577 3.802 -6.882 1.00 0.00 O ATOM 325 ND2 ASN A 22 -0.659 1.848 -5.888 1.00 0.00 N ATOM 0 H ASN A 22 -3.919 1.305 -4.802 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.208 3.656 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.246 2.217 -6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.086 3.959 -6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.354 1.742 -5.944 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.225 1.116 -5.458 1.00 0.00 H new ATOM 332 N HIS A 23 -5.430 3.475 -4.594 1.00 0.00 N ATOM 333 CA HIS A 23 -6.695 4.146 -4.434 1.00 0.00 C ATOM 334 C HIS A 23 -7.065 4.188 -2.963 1.00 0.00 C ATOM 335 O HIS A 23 -7.287 5.250 -2.392 1.00 0.00 O ATOM 336 CB HIS A 23 -7.778 3.466 -5.286 1.00 0.00 C ATOM 337 CG HIS A 23 -7.451 3.284 -6.750 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.116 3.859 -7.821 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.437 2.514 -7.271 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.513 3.453 -8.956 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.470 2.652 -8.652 1.00 0.00 N ATOM 0 H HIS A 23 -5.520 2.492 -4.849 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.613 5.173 -4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.988 2.487 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.694 4.052 -5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.741 1.911 -6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.818 3.727 -9.955 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.824 2.226 -9.316 1.00 0.00 H new ATOM 350 N CYS A 24 -7.061 3.010 -2.308 1.00 0.00 N ATOM 351 CA CYS A 24 -7.245 2.957 -0.854 1.00 0.00 C ATOM 352 C CYS A 24 -6.240 3.828 -0.104 1.00 0.00 C ATOM 353 O CYS A 24 -6.543 4.272 0.986 1.00 0.00 O ATOM 354 CB CYS A 24 -7.153 1.527 -0.337 1.00 0.00 C ATOM 355 SG CYS A 24 -8.821 0.842 -0.267 1.00 0.00 S ATOM 0 H CYS A 24 -6.935 2.103 -2.756 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.244 3.350 -0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.523 0.926 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.693 1.509 0.651 1.00 0.00 H new ATOM 360 N GLY A 25 -5.098 4.135 -0.732 1.00 0.00 N ATOM 361 CA GLY A 25 -4.151 5.083 -0.215 1.00 0.00 C ATOM 362 C GLY A 25 -4.684 6.506 -0.144 1.00 0.00 C ATOM 363 O GLY A 25 -4.606 7.124 0.901 1.00 0.00 O ATOM 0 H GLY A 25 -4.819 3.719 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.845 4.769 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.259 5.070 -0.841 1.00 0.00 H new ATOM 367 N MET A 26 -5.235 7.059 -1.227 1.00 0.00 N ATOM 368 CA MET A 26 -5.771 8.427 -1.245 1.00 0.00 C ATOM 369 C MET A 26 -6.753 8.714 -0.113 1.00 0.00 C ATOM 370 O MET A 26 -6.728 9.792 0.462 1.00 0.00 O ATOM 371 CB MET A 26 -6.518 8.672 -2.553 1.00 0.00 C ATOM 372 CG MET A 26 -5.914 9.736 -3.448 1.00 0.00 C ATOM 373 SD MET A 26 -4.917 8.958 -4.738 1.00 0.00 S ATOM 374 CE MET A 26 -4.843 10.315 -5.919 1.00 0.00 C ATOM 0 H MET A 26 -5.323 6.572 -2.119 1.00 0.00 H new ATOM 0 HA MET A 26 -4.907 9.082 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.564 7.735 -3.108 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.544 8.955 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.704 10.336 -3.899 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.297 10.413 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.260 10.010 -6.788 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.853 10.579 -6.234 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.371 11.179 -5.451 1.00 0.00 H new ATOM 384 N TYR A 27 -7.585 7.725 0.225 1.00 0.00 N ATOM 385 CA TYR A 27 -8.514 7.775 1.354 1.00 0.00 C ATOM 386 C TYR A 27 -7.790 8.049 2.684 1.00 0.00 C ATOM 387 O TYR A 27 -8.256 8.788 3.545 1.00 0.00 O ATOM 388 CB TYR A 27 -9.257 6.432 1.419 1.00 0.00 C ATOM 389 CG TYR A 27 -10.239 6.316 2.546 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.306 7.224 2.639 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.080 5.310 3.522 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.217 7.137 3.694 1.00 0.00 C ATOM 393 CE2 TYR A 27 -10.963 5.223 4.605 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.053 6.141 4.700 1.00 0.00 C ATOM 395 OH TYR A 27 -12.910 6.071 5.731 1.00 0.00 O ATOM 0 H TYR A 27 -7.631 6.847 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.214 8.597 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.784 6.278 0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.524 5.630 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.423 7.994 1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.270 4.601 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.047 7.826 3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.821 4.467 5.363 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.651 5.333 6.322 1.00 0.00 H new ATOM 405 N LEU A 28 -6.598 7.474 2.845 1.00 0.00 N ATOM 406 CA LEU A 28 -5.757 7.609 4.027 1.00 0.00 C ATOM 407 C LEU A 28 -4.811 8.819 3.881 1.00 0.00 C ATOM 408 O LEU A 28 -4.408 9.439 4.862 1.00 0.00 O ATOM 409 CB LEU A 28 -4.951 6.311 4.268 1.00 0.00 C ATOM 410 CG LEU A 28 -5.702 4.985 3.976 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.712 3.854 3.628 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.701 4.635 5.066 1.00 0.00 C ATOM 0 H LEU A 28 -6.180 6.881 2.128 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.399 7.779 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.054 6.342 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.621 6.298 5.307 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.315 5.127 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.264 2.936 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.138 4.132 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.033 3.694 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.200 3.699 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.179 4.524 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.442 5.430 5.150 1.00 0.00 H new ATOM 424 N MET A 29 -4.488 9.193 2.633 1.00 0.00 N ATOM 425 CA MET A 29 -3.706 10.346 2.208 1.00 0.00 C ATOM 426 C MET A 29 -4.521 11.629 2.156 1.00 0.00 C ATOM 427 O MET A 29 -4.013 12.704 1.818 1.00 0.00 O ATOM 428 CB MET A 29 -3.015 10.085 0.857 1.00 0.00 C ATOM 429 CG MET A 29 -1.511 10.288 0.975 1.00 0.00 C ATOM 430 SD MET A 29 -0.632 10.621 -0.562 1.00 0.00 S ATOM 431 CE MET A 29 -0.823 12.421 -0.536 1.00 0.00 C ATOM 0 H MET A 29 -4.798 8.643 1.832 1.00 0.00 H new ATOM 0 HA MET A 29 -2.939 10.490 2.969 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.225 9.068 0.526 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.420 10.757 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.329 11.116 1.660 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.079 9.397 1.431 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.343 12.851 -1.416 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.883 12.675 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.358 12.823 0.364 1.00 0.00 H new ATOM 441 N LYS A 30 -5.794 11.546 2.549 1.00 0.00 N ATOM 442 CA LYS A 30 -6.691 12.690 2.592 1.00 0.00 C ATOM 443 C LYS A 30 -6.470 13.550 3.828 1.00 0.00 C ATOM 444 O LYS A 30 -6.726 14.745 3.778 1.00 0.00 O ATOM 445 CB LYS A 30 -8.153 12.218 2.473 1.00 0.00 C ATOM 446 CG LYS A 30 -9.053 13.346 1.941 1.00 0.00 C ATOM 447 CD LYS A 30 -8.687 13.708 0.489 1.00 0.00 C ATOM 448 CE LYS A 30 -7.974 15.065 0.411 1.00 0.00 C ATOM 449 NZ LYS A 30 -6.798 15.021 -0.485 1.00 0.00 N ATOM 0 H LYS A 30 -6.229 10.673 2.848 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.465 13.329 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.208 11.358 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.513 11.889 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.097 13.036 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.952 14.227 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.044 12.933 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.591 13.735 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.673 15.822 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.658 15.367 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.498 15.991 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.019 14.520 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.048 14.522 -1.362 1.00 0.00 H new ATOM 463 N ASN A 31 -5.900 12.952 4.876 1.00 0.00 N ATOM 464 CA ASN A 31 -5.480 13.616 6.104 1.00 0.00 C ATOM 465 C ASN A 31 -3.962 13.812 6.160 1.00 0.00 C ATOM 466 O ASN A 31 -3.432 14.586 6.939 1.00 0.00 O ATOM 467 CB ASN A 31 -5.940 12.767 7.297 1.00 0.00 C ATOM 468 CG ASN A 31 -6.362 13.648 8.447 1.00 0.00 C ATOM 469 OD1 ASN A 31 -5.570 14.152 9.218 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.648 13.822 8.588 1.00 0.00 N ATOM 0 H ASN A 31 -5.712 11.950 4.889 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.934 14.607 6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.771 12.129 6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.131 12.108 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.005 14.390 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.296 13.390 7.930 1.00 0.00 H new ATOM 477 N LEU A 32 -3.222 13.125 5.278 1.00 0.00 N ATOM 478 CA LEU A 32 -1.767 13.294 5.224 1.00 0.00 C ATOM 479 C LEU A 32 -1.360 14.630 4.591 1.00 0.00 C ATOM 480 O LEU A 32 -0.235 15.085 4.775 1.00 0.00 O ATOM 481 CB LEU A 32 -1.165 12.158 4.411 1.00 0.00 C ATOM 482 CG LEU A 32 -1.255 10.826 5.165 1.00 0.00 C ATOM 483 CD1 LEU A 32 -0.859 9.721 4.198 1.00 0.00 C ATOM 484 CD2 LEU A 32 -0.358 10.857 6.392 1.00 0.00 C ATOM 0 H LEU A 32 -3.600 12.459 4.604 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.394 13.284 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.686 12.075 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.122 12.382 4.186 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.269 10.645 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.913 8.757 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.539 9.722 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.159 9.891 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.430 9.906 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.674 11.024 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.674 11.664 7.053 1.00 0.00 H new ATOM 496 N GLY A 33 -2.277 15.242 3.832 1.00 0.00 N ATOM 497 CA GLY A 33 -2.118 16.575 3.268 1.00 0.00 C ATOM 498 C GLY A 33 -2.570 17.682 4.209 1.00 0.00 C ATOM 499 O GLY A 33 -3.029 18.716 3.738 1.00 0.00 O ATOM 0 H GLY A 33 -3.168 14.809 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.070 16.731 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.687 16.640 2.341 1.00 0.00 H new ATOM 503 N GLU A 34 -2.441 17.498 5.522 1.00 0.00 N ATOM 504 CA GLU A 34 -2.833 18.452 6.549 1.00 0.00 C ATOM 505 C GLU A 34 -1.598 18.947 7.299 1.00 0.00 C ATOM 506 O GLU A 34 -1.001 18.246 8.122 1.00 0.00 O ATOM 507 CB GLU A 34 -3.833 17.832 7.526 1.00 0.00 C ATOM 508 CG GLU A 34 -4.498 18.933 8.371 1.00 0.00 C ATOM 509 CD GLU A 34 -5.826 19.382 7.743 1.00 0.00 C ATOM 510 OE1 GLU A 34 -6.754 18.546 7.666 1.00 0.00 O ATOM 511 OE2 GLU A 34 -5.872 20.556 7.302 1.00 0.00 O ATOM 0 H GLU A 34 -2.044 16.643 5.912 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.320 19.297 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.592 17.275 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.324 17.121 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.676 18.564 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.825 19.786 8.457 1.00 0.00 H new ATOM 518 N ARG A 35 -1.181 20.178 6.979 1.00 0.00 N ATOM 519 CA ARG A 35 -0.027 20.837 7.604 1.00 0.00 C ATOM 520 C ARG A 35 0.108 22.305 7.234 1.00 0.00 C ATOM 521 O ARG A 35 1.220 22.834 7.134 1.00 0.00 O ATOM 522 CB ARG A 35 1.265 20.048 7.292 1.00 0.00 C ATOM 523 CG ARG A 35 2.155 19.915 8.538 1.00 0.00 C ATOM 524 CD ARG A 35 3.430 20.729 8.376 1.00 0.00 C ATOM 525 NE ARG A 35 4.482 20.259 9.298 1.00 0.00 N ATOM 526 CZ ARG A 35 5.566 20.912 9.652 1.00 0.00 C ATOM 527 NH1 ARG A 35 5.806 22.107 9.216 1.00 0.00 N ATOM 528 NH2 ARG A 35 6.429 20.351 10.436 1.00 0.00 N ATOM 0 H ARG A 35 -1.640 20.751 6.271 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.199 20.829 8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.007 19.057 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.819 20.552 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.610 20.255 9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.405 18.867 8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.784 20.655 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.220 21.782 8.566 1.00 0.00 H new ATOM 0 HE ARG A 35 4.355 19.331 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.147 22.561 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.654 22.594 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.267 19.404 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.271 20.856 10.712 1.00 0.00 H new ATOM 542 N SER A 36 -1.017 22.976 7.016 1.00 0.00 N ATOM 543 CA SER A 36 -1.055 24.364 6.592 1.00 0.00 C ATOM 544 C SER A 36 -2.411 24.981 6.912 1.00 0.00 C ATOM 545 O SER A 36 -3.213 24.390 7.628 1.00 0.00 O ATOM 546 CB SER A 36 -0.734 24.451 5.092 1.00 0.00 C ATOM 547 OG SER A 36 -0.250 25.753 4.803 1.00 0.00 O ATOM 0 H SER A 36 -1.942 22.561 7.132 1.00 0.00 H new ATOM 0 HA SER A 36 -0.302 24.933 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.011 23.703 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.626 24.240 4.502 1.00 0.00 H new ATOM 0 HG SER A 36 -0.040 25.819 3.848 1.00 0.00 H new ATOM 553 N GLN A 37 -2.662 26.183 6.400 1.00 0.00 N ATOM 554 CA GLN A 37 -3.920 26.892 6.560 1.00 0.00 C ATOM 555 C GLN A 37 -4.844 26.648 5.375 1.00 0.00 C ATOM 556 O GLN A 37 -5.083 27.528 4.548 1.00 0.00 O ATOM 557 CB GLN A 37 -3.645 28.387 6.805 1.00 0.00 C ATOM 558 CG GLN A 37 -4.033 28.767 8.236 1.00 0.00 C ATOM 559 CD GLN A 37 -4.591 30.181 8.298 1.00 0.00 C ATOM 560 OE1 GLN A 37 -4.055 31.144 7.770 1.00 0.00 O ATOM 561 NE2 GLN A 37 -5.729 30.346 8.934 1.00 0.00 N ATOM 0 H GLN A 37 -1.977 26.700 5.849 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.444 26.505 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.590 28.603 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.211 28.990 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.775 28.064 8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.161 28.689 8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.185 29.549 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.156 31.271 8.983 1.00 0.00 H new ATOM 570 N VAL A 38 -5.371 25.433 5.274 1.00 0.00 N ATOM 571 CA VAL A 38 -6.269 25.055 4.185 1.00 0.00 C ATOM 572 C VAL A 38 -7.397 24.182 4.716 1.00 0.00 C ATOM 573 O VAL A 38 -7.429 23.864 5.903 1.00 0.00 O ATOM 574 CB VAL A 38 -5.484 24.391 3.028 1.00 0.00 C ATOM 575 CG1 VAL A 38 -4.330 25.287 2.525 1.00 0.00 C ATOM 576 CG2 VAL A 38 -4.918 23.019 3.409 1.00 0.00 C ATOM 0 H VAL A 38 -5.190 24.683 5.941 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.728 25.951 3.767 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.211 24.256 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.805 24.783 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.734 26.233 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.635 25.478 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.377 22.600 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.238 23.128 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.735 22.352 3.684 1.00 0.00 H new ATOM 586 N SER A 39 -8.341 23.810 3.843 1.00 0.00 N ATOM 587 CA SER A 39 -9.433 22.925 4.227 1.00 0.00 C ATOM 588 C SER A 39 -9.406 21.635 3.403 1.00 0.00 C ATOM 589 O SER A 39 -9.009 21.673 2.229 1.00 0.00 O ATOM 590 CB SER A 39 -10.761 23.661 4.077 1.00 0.00 C ATOM 591 OG SER A 39 -11.642 23.300 5.124 1.00 0.00 O ATOM 0 H SER A 39 -8.366 24.111 2.869 1.00 0.00 H new ATOM 0 HA SER A 39 -9.313 22.638 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.592 24.738 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.211 23.421 3.114 1.00 0.00 H new ATOM 0 HG SER A 39 -12.490 23.780 5.018 1.00 0.00 H new ATOM 597 N PRO A 40 -9.877 20.501 3.941 1.00 0.00 N ATOM 598 CA PRO A 40 -9.958 19.232 3.250 1.00 0.00 C ATOM 599 C PRO A 40 -11.070 19.259 2.197 1.00 0.00 C ATOM 600 O PRO A 40 -12.214 18.870 2.458 1.00 0.00 O ATOM 601 CB PRO A 40 -10.146 18.164 4.316 1.00 0.00 C ATOM 602 CG PRO A 40 -10.676 18.905 5.553 1.00 0.00 C ATOM 603 CD PRO A 40 -10.413 20.373 5.293 1.00 0.00 C ATOM 0 HA PRO A 40 -9.050 19.012 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.849 17.400 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.205 17.658 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.740 18.717 5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.168 18.570 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.333 20.949 5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.706 20.769 6.022 1.00 0.00 H new ATOM 611 N ARG A 41 -10.773 19.764 0.987 1.00 0.00 N ATOM 612 CA ARG A 41 -11.725 19.860 -0.107 1.00 0.00 C ATOM 613 C ARG A 41 -11.051 20.054 -1.452 1.00 0.00 C ATOM 614 O ARG A 41 -10.912 21.168 -1.956 1.00 0.00 O ATOM 615 CB ARG A 41 -12.733 20.996 0.164 1.00 0.00 C ATOM 616 CG ARG A 41 -14.055 20.661 -0.546 1.00 0.00 C ATOM 617 CD ARG A 41 -15.088 20.148 0.460 1.00 0.00 C ATOM 618 NE ARG A 41 -15.764 18.916 0.002 1.00 0.00 N ATOM 619 CZ ARG A 41 -16.899 18.428 0.461 1.00 0.00 C ATOM 620 NH1 ARG A 41 -17.568 19.050 1.381 1.00 0.00 N ATOM 621 NH2 ARG A 41 -17.366 17.308 0.017 1.00 0.00 N ATOM 0 H ARG A 41 -9.847 20.120 0.749 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.256 18.909 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.897 21.108 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.339 21.945 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.439 21.548 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.881 19.908 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.596 19.955 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.834 20.923 0.637 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.307 18.391 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.217 19.930 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.445 18.660 1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.855 16.790 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.246 16.942 0.381 1.00 0.00 H new ATOM 635 N MET A 42 -10.621 18.961 -2.063 1.00 0.00 N ATOM 636 CA MET A 42 -9.904 19.029 -3.331 1.00 0.00 C ATOM 637 C MET A 42 -10.363 17.899 -4.235 1.00 0.00 C ATOM 638 O MET A 42 -10.881 16.897 -3.750 1.00 0.00 O ATOM 639 CB MET A 42 -8.385 18.983 -3.097 1.00 0.00 C ATOM 640 CG MET A 42 -7.932 19.715 -1.825 1.00 0.00 C ATOM 641 SD MET A 42 -6.193 20.187 -1.806 1.00 0.00 S ATOM 642 CE MET A 42 -6.436 21.915 -2.305 1.00 0.00 C ATOM 0 H MET A 42 -10.755 18.016 -1.703 1.00 0.00 H new ATOM 0 HA MET A 42 -10.128 19.976 -3.823 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.067 17.942 -3.039 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.881 19.423 -3.957 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.539 20.612 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.130 19.076 -0.964 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.470 22.417 -2.361 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.919 21.947 -3.282 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.066 22.420 -1.572 1.00 0.00 H new ATOM 652 N ARG A 43 -10.181 18.076 -5.550 1.00 0.00 N ATOM 653 CA ARG A 43 -10.483 17.028 -6.528 1.00 0.00 C ATOM 654 C ARG A 43 -9.775 15.728 -6.170 1.00 0.00 C ATOM 655 O ARG A 43 -8.628 15.737 -5.722 1.00 0.00 O ATOM 656 CB ARG A 43 -10.017 17.430 -7.937 1.00 0.00 C ATOM 657 CG ARG A 43 -11.194 17.439 -8.912 1.00 0.00 C ATOM 658 CD ARG A 43 -11.875 18.807 -8.898 1.00 0.00 C ATOM 659 NE ARG A 43 -11.393 19.662 -10.005 1.00 0.00 N ATOM 660 CZ ARG A 43 -12.038 20.665 -10.560 1.00 0.00 C ATOM 661 NH1 ARG A 43 -13.203 21.033 -10.135 1.00 0.00 N ATOM 662 NH2 ARG A 43 -11.520 21.311 -11.555 1.00 0.00 N ATOM 0 H ARG A 43 -9.825 18.939 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.564 16.891 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.557 18.418 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.254 16.734 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.845 17.208 -9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.910 16.664 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.954 18.679 -8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.683 19.301 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.466 19.452 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.639 20.542 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.685 21.814 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.604 21.044 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.028 22.087 -11.979 1.00 0.00 H new ATOM 676 N GLU A 44 -10.436 14.619 -6.440 1.00 0.00 N ATOM 677 CA GLU A 44 -9.947 13.278 -6.174 1.00 0.00 C ATOM 678 C GLU A 44 -10.932 12.270 -6.774 1.00 0.00 C ATOM 679 O GLU A 44 -12.105 12.581 -6.983 1.00 0.00 O ATOM 680 CB GLU A 44 -9.740 13.050 -4.657 1.00 0.00 C ATOM 681 CG GLU A 44 -11.005 13.278 -3.797 1.00 0.00 C ATOM 682 CD GLU A 44 -10.955 12.523 -2.456 1.00 0.00 C ATOM 683 OE1 GLU A 44 -10.290 11.463 -2.384 1.00 0.00 O ATOM 684 OE2 GLU A 44 -11.494 13.074 -1.457 1.00 0.00 O ATOM 0 H GLU A 44 -11.363 14.626 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.972 13.142 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.388 12.030 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.952 13.717 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.121 14.345 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.883 12.957 -4.357 1.00 0.00 H new ATOM 691 N GLU A 45 -10.429 11.085 -7.123 1.00 0.00 N ATOM 692 CA GLU A 45 -11.272 9.970 -7.567 1.00 0.00 C ATOM 693 C GLU A 45 -12.131 9.392 -6.424 1.00 0.00 C ATOM 694 O GLU A 45 -12.165 9.931 -5.325 1.00 0.00 O ATOM 695 CB GLU A 45 -10.384 8.898 -8.215 1.00 0.00 C ATOM 696 CG GLU A 45 -10.578 8.755 -9.720 1.00 0.00 C ATOM 697 CD GLU A 45 -10.542 7.250 -10.040 1.00 0.00 C ATOM 698 OE1 GLU A 45 -11.620 6.619 -9.906 1.00 0.00 O ATOM 699 OE2 GLU A 45 -9.443 6.683 -10.218 1.00 0.00 O ATOM 0 H GLU A 45 -9.432 10.870 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.981 10.342 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.340 9.138 -8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.587 7.938 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.528 9.192 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.793 9.283 -10.261 1.00 0.00 H new ATOM 706 N ASP A 46 -12.804 8.269 -6.669 1.00 0.00 N ATOM 707 CA ASP A 46 -13.686 7.609 -5.721 1.00 0.00 C ATOM 708 C ASP A 46 -13.067 6.256 -5.393 1.00 0.00 C ATOM 709 O ASP A 46 -12.904 5.360 -6.229 1.00 0.00 O ATOM 710 CB ASP A 46 -15.092 7.511 -6.303 1.00 0.00 C ATOM 711 CG ASP A 46 -16.028 6.828 -5.299 1.00 0.00 C ATOM 712 OD1 ASP A 46 -16.289 7.439 -4.235 1.00 0.00 O ATOM 713 OD2 ASP A 46 -16.380 5.655 -5.539 1.00 0.00 O ATOM 0 H ASP A 46 -12.745 7.782 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.789 8.173 -4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.466 8.507 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.070 6.946 -7.235 1.00 0.00 H new ATOM 718 N HIS A 47 -12.534 6.117 -4.178 1.00 0.00 N ATOM 719 CA HIS A 47 -11.977 4.834 -3.717 1.00 0.00 C ATOM 720 C HIS A 47 -12.880 4.288 -2.629 1.00 0.00 C ATOM 721 O HIS A 47 -13.694 4.991 -2.060 1.00 0.00 O ATOM 722 CB HIS A 47 -10.548 5.033 -3.225 1.00 0.00 C ATOM 723 CG HIS A 47 -9.814 6.036 -4.070 1.00 0.00 C ATOM 724 ND1 HIS A 47 -9.906 6.195 -5.442 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.002 6.997 -3.569 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.020 7.152 -5.780 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.499 7.681 -4.666 1.00 0.00 N ATOM 0 H HIS A 47 -12.474 6.871 -3.494 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.936 4.114 -4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.562 5.369 -2.188 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.018 4.081 -3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.524 5.687 -6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.789 7.191 -2.528 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.770 7.446 -6.789 1.00 0.00 H new ATOM 736 N LYS A 48 -12.681 3.016 -2.285 1.00 0.00 N ATOM 737 CA LYS A 48 -13.454 2.288 -1.274 1.00 0.00 C ATOM 738 C LYS A 48 -13.110 0.820 -1.285 1.00 0.00 C ATOM 739 O LYS A 48 -12.555 0.294 -0.332 1.00 0.00 O ATOM 740 CB LYS A 48 -14.976 2.508 -1.478 1.00 0.00 C ATOM 741 CG LYS A 48 -15.518 3.407 -0.357 1.00 0.00 C ATOM 742 CD LYS A 48 -16.968 3.812 -0.642 1.00 0.00 C ATOM 743 CE LYS A 48 -17.847 3.431 0.546 1.00 0.00 C ATOM 744 NZ LYS A 48 -18.226 2.001 0.483 1.00 0.00 N ATOM 0 H LYS A 48 -11.954 2.444 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.187 2.684 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.161 2.968 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.496 1.550 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.462 2.882 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.897 4.298 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.028 4.885 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.324 3.316 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.315 3.630 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.744 4.050 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.824 1.764 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.753 1.820 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.368 1.413 0.499 1.00 0.00 H new ATOM 758 N GLN A 49 -13.390 0.173 -2.413 1.00 0.00 N ATOM 759 CA GLN A 49 -13.103 -1.239 -2.644 1.00 0.00 C ATOM 760 C GLN A 49 -12.282 -1.467 -3.909 1.00 0.00 C ATOM 761 O GLN A 49 -11.892 -2.590 -4.209 1.00 0.00 O ATOM 762 CB GLN A 49 -14.405 -2.053 -2.665 1.00 0.00 C ATOM 763 CG GLN A 49 -14.432 -3.100 -1.532 1.00 0.00 C ATOM 764 CD GLN A 49 -14.994 -4.453 -1.942 1.00 0.00 C ATOM 765 OE1 GLN A 49 -15.122 -4.798 -3.106 1.00 0.00 O ATOM 766 NE2 GLN A 49 -15.293 -5.291 -0.978 1.00 0.00 N ATOM 0 H GLN A 49 -13.834 0.628 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.489 -1.588 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.257 -1.382 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.508 -2.554 -3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.418 -3.239 -1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.025 -2.709 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.187 -5.007 -0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.631 -6.227 -1.202 1.00 0.00 H new ATOM 775 N LEU A 50 -11.879 -0.381 -4.590 1.00 0.00 N ATOM 776 CA LEU A 50 -11.001 -0.452 -5.751 1.00 0.00 C ATOM 777 C LEU A 50 -9.612 -0.992 -5.396 1.00 0.00 C ATOM 778 O LEU A 50 -8.863 -1.425 -6.261 1.00 0.00 O ATOM 779 CB LEU A 50 -10.887 0.954 -6.346 1.00 0.00 C ATOM 780 CG LEU A 50 -12.016 1.256 -7.356 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.090 2.756 -7.611 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.777 0.514 -8.671 1.00 0.00 C ATOM 0 H LEU A 50 -12.158 0.569 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.429 -1.147 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.915 1.690 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.922 1.060 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.961 0.914 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.888 2.965 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.295 3.275 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.140 3.103 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.584 0.740 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.827 0.831 -9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.750 -0.559 -8.483 1.00 0.00 H new ATOM 794 N CYS A 51 -9.278 -0.991 -4.095 1.00 0.00 N ATOM 795 CA CYS A 51 -8.097 -1.667 -3.611 1.00 0.00 C ATOM 796 C CYS A 51 -8.332 -3.158 -3.437 1.00 0.00 C ATOM 797 O CYS A 51 -7.598 -3.943 -4.024 1.00 0.00 O ATOM 798 CB CYS A 51 -7.587 -0.963 -2.347 1.00 0.00 C ATOM 799 SG CYS A 51 -8.543 -1.102 -0.804 1.00 0.00 S ATOM 0 H CYS A 51 -9.821 -0.523 -3.369 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.305 -1.600 -4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.583 -1.337 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.491 0.098 -2.579 1.00 0.00 H new ATOM 804 N CYS A 52 -9.379 -3.545 -2.681 1.00 0.00 N ATOM 805 CA CYS A 52 -9.736 -4.950 -2.441 1.00 0.00 C ATOM 806 C CYS A 52 -9.962 -5.703 -3.768 1.00 0.00 C ATOM 807 O CYS A 52 -9.880 -6.919 -3.816 1.00 0.00 O ATOM 808 CB CYS A 52 -10.982 -5.046 -1.548 1.00 0.00 C ATOM 809 SG CYS A 52 -11.145 -6.595 -0.623 1.00 0.00 S ATOM 0 H CYS A 52 -10.002 -2.883 -2.218 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.901 -5.424 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.967 -4.218 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.867 -4.918 -2.171 1.00 0.00 H new ATOM 814 N MET A 53 -10.181 -4.965 -4.867 1.00 0.00 N ATOM 815 CA MET A 53 -10.255 -5.485 -6.219 1.00 0.00 C ATOM 816 C MET A 53 -8.897 -5.986 -6.745 1.00 0.00 C ATOM 817 O MET A 53 -8.645 -7.182 -6.832 1.00 0.00 O ATOM 818 CB MET A 53 -10.811 -4.384 -7.132 1.00 0.00 C ATOM 819 CG MET A 53 -10.832 -4.865 -8.591 1.00 0.00 C ATOM 820 SD MET A 53 -9.927 -3.751 -9.698 1.00 0.00 S ATOM 821 CE MET A 53 -9.344 -4.944 -10.935 1.00 0.00 C ATOM 0 H MET A 53 -10.315 -3.955 -4.825 1.00 0.00 H new ATOM 0 HA MET A 53 -10.915 -6.353 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.819 -4.114 -6.816 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.199 -3.486 -7.046 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.397 -5.863 -8.648 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.865 -4.948 -8.929 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.764 -4.424 -11.697 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.717 -5.693 -10.451 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.200 -5.433 -11.401 1.00 0.00 H new ATOM 831 N GLN A 54 -8.008 -5.058 -7.148 1.00 0.00 N ATOM 832 CA GLN A 54 -6.697 -5.426 -7.675 1.00 0.00 C ATOM 833 C GLN A 54 -5.866 -6.258 -6.695 1.00 0.00 C ATOM 834 O GLN A 54 -5.029 -7.060 -7.084 1.00 0.00 O ATOM 835 CB GLN A 54 -5.894 -4.181 -8.042 1.00 0.00 C ATOM 836 CG GLN A 54 -6.157 -3.654 -9.446 1.00 0.00 C ATOM 837 CD GLN A 54 -5.632 -4.588 -10.541 1.00 0.00 C ATOM 838 OE1 GLN A 54 -5.060 -5.647 -10.347 1.00 0.00 O ATOM 839 NE2 GLN A 54 -5.869 -4.257 -11.784 1.00 0.00 N ATOM 0 H GLN A 54 -8.181 -4.053 -7.116 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.896 -6.034 -8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.119 -3.393 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.832 -4.407 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.229 -3.512 -9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.689 -2.675 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.345 -3.380 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.578 -4.876 -12.541 1.00 0.00 H new ATOM 848 N LEU A 55 -6.149 -6.100 -5.398 1.00 0.00 N ATOM 849 CA LEU A 55 -5.571 -6.960 -4.389 1.00 0.00 C ATOM 850 C LEU A 55 -5.871 -8.436 -4.666 1.00 0.00 C ATOM 851 O LEU A 55 -4.999 -9.272 -4.500 1.00 0.00 O ATOM 852 CB LEU A 55 -6.112 -6.539 -3.025 1.00 0.00 C ATOM 853 CG LEU A 55 -5.242 -5.489 -2.294 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.126 -4.509 -1.504 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.160 -6.138 -1.404 1.00 0.00 C ATOM 0 H LEU A 55 -6.775 -5.382 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.486 -6.853 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.116 -6.136 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.202 -7.423 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.705 -4.921 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.496 -3.778 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.800 -3.994 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.710 -5.059 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.577 -5.359 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.637 -6.764 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.501 -6.750 -2.020 1.00 0.00 H new ATOM 867 N LYS A 56 -7.072 -8.763 -5.145 1.00 0.00 N ATOM 868 CA LYS A 56 -7.403 -10.127 -5.570 1.00 0.00 C ATOM 869 C LYS A 56 -6.778 -10.495 -6.923 1.00 0.00 C ATOM 870 O LYS A 56 -6.571 -11.673 -7.200 1.00 0.00 O ATOM 871 CB LYS A 56 -8.927 -10.270 -5.596 1.00 0.00 C ATOM 872 CG LYS A 56 -9.377 -11.655 -6.083 1.00 0.00 C ATOM 873 CD LYS A 56 -10.360 -12.269 -5.109 1.00 0.00 C ATOM 874 CE LYS A 56 -10.785 -13.630 -5.659 1.00 0.00 C ATOM 875 NZ LYS A 56 -12.227 -13.844 -5.436 1.00 0.00 N ATOM 0 H LYS A 56 -7.838 -8.097 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.976 -10.829 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.323 -10.093 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.350 -9.504 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.838 -11.568 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.510 -12.307 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.902 -12.382 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.228 -11.621 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.563 -13.685 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.214 -14.421 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.503 -14.773 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.429 -13.812 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.767 -13.099 -5.920 1.00 0.00 H new ATOM 889 N ASN A 57 -6.486 -9.512 -7.778 1.00 0.00 N ATOM 890 CA ASN A 57 -5.775 -9.753 -9.042 1.00 0.00 C ATOM 891 C ASN A 57 -4.307 -10.079 -8.811 1.00 0.00 C ATOM 892 O ASN A 57 -3.695 -10.753 -9.635 1.00 0.00 O ATOM 893 CB ASN A 57 -5.834 -8.509 -9.919 1.00 0.00 C ATOM 894 CG ASN A 57 -7.010 -8.451 -10.862 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.928 -9.262 -10.903 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.018 -7.436 -11.678 1.00 0.00 N ATOM 0 H ASN A 57 -6.732 -8.535 -7.619 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.264 -10.600 -9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.859 -7.630 -9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.916 -8.450 -10.503 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.783 -7.322 -12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.259 -6.755 -11.652 1.00 0.00 H new ATOM 903 N LEU A 58 -3.736 -9.571 -7.717 1.00 0.00 N ATOM 904 CA LEU A 58 -2.380 -9.865 -7.341 1.00 0.00 C ATOM 905 C LEU A 58 -2.223 -11.334 -6.930 1.00 0.00 C ATOM 906 O LEU A 58 -3.151 -12.143 -6.977 1.00 0.00 O ATOM 907 CB LEU A 58 -1.923 -8.867 -6.248 1.00 0.00 C ATOM 908 CG LEU A 58 -0.936 -7.782 -6.716 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.160 -7.183 -5.525 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.132 -8.355 -7.610 1.00 0.00 C ATOM 0 H LEU A 58 -4.216 -8.942 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.722 -9.733 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.805 -8.378 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.461 -9.429 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.545 -7.039 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.529 -6.420 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.862 -6.734 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.402 -7.971 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.811 -7.561 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.690 -9.118 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.331 -8.802 -8.490 1.00 0.00 H new ATOM 922 N ASP A 59 -1.022 -11.696 -6.483 1.00 0.00 N ATOM 923 CA ASP A 59 -0.767 -13.050 -6.014 1.00 0.00 C ATOM 924 C ASP A 59 -1.232 -13.165 -4.559 1.00 0.00 C ATOM 925 O ASP A 59 -0.759 -12.433 -3.684 1.00 0.00 O ATOM 926 CB ASP A 59 0.733 -13.340 -6.124 1.00 0.00 C ATOM 927 CG ASP A 59 1.051 -14.333 -7.226 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.720 -15.502 -7.001 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.677 -13.917 -8.237 1.00 0.00 O ATOM 0 H ASP A 59 -0.216 -11.072 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.312 -13.775 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.267 -12.409 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.096 -13.729 -5.173 1.00 0.00 H new ATOM 934 N GLU A 60 -2.073 -14.163 -4.252 1.00 0.00 N ATOM 935 CA GLU A 60 -2.480 -14.453 -2.869 1.00 0.00 C ATOM 936 C GLU A 60 -1.298 -14.744 -1.925 1.00 0.00 C ATOM 937 O GLU A 60 -1.376 -14.592 -0.708 1.00 0.00 O ATOM 938 CB GLU A 60 -3.485 -15.607 -2.846 1.00 0.00 C ATOM 939 CG GLU A 60 -4.773 -15.229 -2.103 1.00 0.00 C ATOM 940 CD GLU A 60 -5.924 -16.176 -2.479 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.656 -17.397 -2.588 1.00 0.00 O ATOM 942 OE2 GLU A 60 -7.063 -15.675 -2.661 1.00 0.00 O ATOM 0 H GLU A 60 -2.486 -14.786 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.951 -13.546 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.727 -15.898 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.031 -16.474 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.601 -15.269 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.048 -14.202 -2.344 1.00 0.00 H new ATOM 949 N LYS A 61 -0.142 -15.100 -2.502 1.00 0.00 N ATOM 950 CA LYS A 61 1.137 -15.318 -1.816 1.00 0.00 C ATOM 951 C LYS A 61 2.043 -14.096 -1.846 1.00 0.00 C ATOM 952 O LYS A 61 3.136 -14.126 -1.284 1.00 0.00 O ATOM 953 CB LYS A 61 1.812 -16.548 -2.423 1.00 0.00 C ATOM 954 CG LYS A 61 1.443 -17.775 -1.588 1.00 0.00 C ATOM 955 CD LYS A 61 2.011 -19.050 -2.216 1.00 0.00 C ATOM 956 CE LYS A 61 0.898 -20.064 -2.503 1.00 0.00 C ATOM 957 NZ LYS A 61 0.443 -19.992 -3.913 1.00 0.00 N ATOM 0 H LYS A 61 -0.071 -15.251 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 61 0.939 -15.494 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.491 -16.684 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.894 -16.415 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.828 -17.660 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.359 -17.855 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.531 -18.803 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.747 -19.493 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.257 -21.070 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.055 -19.877 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.310 -20.692 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.077 -19.039 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.242 -20.195 -4.547 1.00 0.00 H new ATOM 971 N CYS A 62 1.579 -13.000 -2.437 1.00 0.00 N ATOM 972 CA CYS A 62 2.232 -11.695 -2.439 1.00 0.00 C ATOM 973 C CYS A 62 1.421 -10.666 -1.622 1.00 0.00 C ATOM 974 O CYS A 62 1.807 -9.502 -1.464 1.00 0.00 O ATOM 975 CB CYS A 62 2.408 -11.247 -3.894 1.00 0.00 C ATOM 976 SG CYS A 62 3.634 -12.103 -4.936 1.00 0.00 S ATOM 0 H CYS A 62 0.698 -12.997 -2.951 1.00 0.00 H new ATOM 0 HA CYS A 62 3.209 -11.768 -1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.439 -11.335 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.666 -10.188 -3.884 1.00 0.00 H new ATOM 981 N MET A 63 0.308 -11.075 -1.015 1.00 0.00 N ATOM 982 CA MET A 63 -0.557 -10.215 -0.222 1.00 0.00 C ATOM 983 C MET A 63 -0.071 -10.128 1.233 1.00 0.00 C ATOM 984 O MET A 63 -0.578 -10.767 2.137 1.00 0.00 O ATOM 985 CB MET A 63 -1.964 -10.777 -0.242 1.00 0.00 C ATOM 986 CG MET A 63 -2.558 -10.853 -1.624 1.00 0.00 C ATOM 987 SD MET A 63 -3.502 -9.408 -2.013 1.00 0.00 S ATOM 988 CE MET A 63 -2.279 -8.530 -2.968 1.00 0.00 C ATOM 0 H MET A 63 -0.022 -12.039 -1.065 1.00 0.00 H new ATOM 0 HA MET A 63 -0.537 -9.214 -0.652 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.955 -11.775 0.197 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.604 -10.158 0.387 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.760 -10.974 -2.357 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.195 -11.734 -1.698 1.00 0.00 H new ATOM 0 HE1 MET A 63 -2.756 -8.067 -3.832 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.820 -7.758 -2.350 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.512 -9.227 -3.306 1.00 0.00 H new ATOM 998 N CYS A 64 0.965 -9.322 1.468 1.00 0.00 N ATOM 999 CA CYS A 64 1.683 -9.172 2.748 1.00 0.00 C ATOM 1000 C CYS A 64 3.073 -8.608 2.497 1.00 0.00 C ATOM 1001 O CYS A 64 3.314 -7.470 2.907 1.00 0.00 O ATOM 1002 CB CYS A 64 1.780 -10.481 3.586 1.00 0.00 C ATOM 1003 SG CYS A 64 3.262 -10.742 4.591 1.00 0.00 S ATOM 0 H CYS A 64 1.351 -8.723 0.738 1.00 0.00 H new ATOM 0 HA CYS A 64 1.090 -8.480 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.916 -10.516 4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.690 -11.323 2.900 1.00 0.00 H new ATOM 1008 N PRO A 65 3.942 -9.350 1.778 1.00 0.00 N ATOM 1009 CA PRO A 65 5.277 -8.902 1.468 1.00 0.00 C ATOM 1010 C PRO A 65 5.282 -7.784 0.420 1.00 0.00 C ATOM 1011 O PRO A 65 6.121 -6.882 0.442 1.00 0.00 O ATOM 1012 CB PRO A 65 6.018 -10.131 0.959 1.00 0.00 C ATOM 1013 CG PRO A 65 4.943 -11.123 0.489 1.00 0.00 C ATOM 1014 CD PRO A 65 3.657 -10.624 1.099 1.00 0.00 C ATOM 0 HA PRO A 65 5.756 -8.476 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.689 -9.869 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.632 -10.568 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.879 -11.150 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.170 -12.136 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.899 -10.484 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.262 -11.353 1.806 1.00 0.00 H new ATOM 1022 N ALA A 66 4.334 -7.845 -0.530 1.00 0.00 N ATOM 1023 CA ALA A 66 4.187 -6.793 -1.508 1.00 0.00 C ATOM 1024 C ALA A 66 3.713 -5.507 -0.833 1.00 0.00 C ATOM 1025 O ALA A 66 4.356 -4.485 -0.972 1.00 0.00 O ATOM 1026 CB ALA A 66 3.267 -7.261 -2.645 1.00 0.00 C ATOM 0 H ALA A 66 3.670 -8.613 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 66 5.152 -6.564 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.161 -6.462 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.699 -8.139 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.287 -7.514 -2.240 1.00 0.00 H new ATOM 1032 N ILE A 67 2.599 -5.564 -0.088 1.00 0.00 N ATOM 1033 CA ILE A 67 2.071 -4.396 0.634 1.00 0.00 C ATOM 1034 C ILE A 67 3.150 -3.489 1.203 1.00 0.00 C ATOM 1035 O ILE A 67 3.071 -2.291 1.028 1.00 0.00 O ATOM 1036 CB ILE A 67 1.148 -4.800 1.797 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.152 -5.400 1.197 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.910 -3.637 2.814 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.402 -5.099 2.004 1.00 0.00 C ATOM 0 H ILE A 67 2.044 -6.411 0.031 1.00 0.00 H new ATOM 0 HA ILE A 67 1.513 -3.849 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 67 1.630 -5.566 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.284 -5.016 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.037 -6.481 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.252 -3.980 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.864 -3.325 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.448 -2.794 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.266 -5.553 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.294 -5.508 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.545 -4.020 2.065 1.00 0.00 H new ATOM 1051 N MET A 68 4.148 -4.070 1.880 1.00 0.00 N ATOM 1052 CA MET A 68 5.313 -3.296 2.308 1.00 0.00 C ATOM 1053 C MET A 68 5.846 -2.379 1.177 1.00 0.00 C ATOM 1054 O MET A 68 5.810 -1.156 1.262 1.00 0.00 O ATOM 1055 CB MET A 68 6.383 -4.266 2.832 1.00 0.00 C ATOM 1056 CG MET A 68 7.781 -3.629 2.829 1.00 0.00 C ATOM 1057 SD MET A 68 8.839 -4.118 4.204 1.00 0.00 S ATOM 1058 CE MET A 68 8.329 -2.817 5.358 1.00 0.00 C ATOM 0 H MET A 68 4.171 -5.056 2.138 1.00 0.00 H new ATOM 0 HA MET A 68 5.024 -2.622 3.115 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.127 -4.577 3.845 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.392 -5.165 2.216 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.280 -3.887 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.671 -2.545 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.871 -2.930 6.297 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.550 -1.841 4.927 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.258 -2.896 5.546 1.00 0.00 H new ATOM 1068 N MET A 69 6.312 -3.001 0.087 1.00 0.00 N ATOM 1069 CA MET A 69 6.826 -2.324 -1.078 1.00 0.00 C ATOM 1070 C MET A 69 5.811 -1.405 -1.747 1.00 0.00 C ATOM 1071 O MET A 69 6.204 -0.459 -2.424 1.00 0.00 O ATOM 1072 CB MET A 69 7.266 -3.339 -2.127 1.00 0.00 C ATOM 1073 CG MET A 69 8.580 -3.998 -1.780 1.00 0.00 C ATOM 1074 SD MET A 69 9.960 -2.821 -1.742 1.00 0.00 S ATOM 1075 CE MET A 69 10.754 -3.364 -0.220 1.00 0.00 C ATOM 0 H MET A 69 6.336 -4.017 0.003 1.00 0.00 H new ATOM 0 HA MET A 69 7.658 -1.720 -0.716 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.497 -4.104 -2.233 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.357 -2.842 -3.093 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.494 -4.483 -0.808 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.794 -4.780 -2.508 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.699 -2.835 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.102 -3.150 0.627 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.943 -4.436 -0.271 1.00 0.00 H new ATOM 1085 N MET A 70 4.502 -1.644 -1.561 1.00 0.00 N ATOM 1086 CA MET A 70 3.448 -0.763 -2.041 1.00 0.00 C ATOM 1087 C MET A 70 3.613 0.636 -1.479 1.00 0.00 C ATOM 1088 O MET A 70 3.398 1.610 -2.173 1.00 0.00 O ATOM 1089 CB MET A 70 2.075 -1.335 -1.660 1.00 0.00 C ATOM 1090 CG MET A 70 1.356 -0.575 -0.544 1.00 0.00 C ATOM 1091 SD MET A 70 0.010 -1.427 0.212 1.00 0.00 S ATOM 1092 CE MET A 70 -0.620 -0.049 1.190 1.00 0.00 C ATOM 0 H MET A 70 4.152 -2.465 -1.067 1.00 0.00 H new ATOM 0 HA MET A 70 3.518 -0.699 -3.127 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.440 -1.340 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.201 -2.373 -1.352 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.084 -0.324 0.228 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.985 0.366 -0.950 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.631 -0.276 1.529 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.026 0.109 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.636 0.853 0.579 1.00 0.00 H new ATOM 1102 N LEU A 71 4.020 0.718 -0.201 1.00 0.00 N ATOM 1103 CA LEU A 71 4.265 1.955 0.495 1.00 0.00 C ATOM 1104 C LEU A 71 5.736 2.370 0.379 1.00 0.00 C ATOM 1105 O LEU A 71 6.198 3.285 1.040 1.00 0.00 O ATOM 1106 CB LEU A 71 3.789 1.889 1.950 1.00 0.00 C ATOM 1107 CG LEU A 71 2.282 1.678 2.124 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.924 1.774 3.603 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.443 2.674 1.313 1.00 0.00 C ATOM 0 H LEU A 71 4.187 -0.106 0.376 1.00 0.00 H new ATOM 0 HA LEU A 71 3.674 2.734 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.316 1.078 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.073 2.814 2.453 1.00 0.00 H new ATOM 0 HG LEU A 71 2.046 0.685 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.852 1.624 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.465 1.008 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.199 2.759 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.384 2.475 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.675 3.690 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.673 2.565 0.253 1.00 0.00 H new ATOM 1121 N ASN A 72 6.475 1.726 -0.513 1.00 0.00 N ATOM 1122 CA ASN A 72 7.827 2.107 -0.859 1.00 0.00 C ATOM 1123 C ASN A 72 7.900 2.701 -2.266 1.00 0.00 C ATOM 1124 O ASN A 72 8.971 3.147 -2.680 1.00 0.00 O ATOM 1125 CB ASN A 72 8.715 0.876 -0.770 1.00 0.00 C ATOM 1126 CG ASN A 72 8.894 0.382 0.657 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.084 0.453 1.573 1.00 0.00 O ATOM 1128 ND2 ASN A 72 10.060 -0.155 0.889 1.00 0.00 N ATOM 0 H ASN A 72 6.140 0.909 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 72 8.166 2.873 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.284 0.078 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.692 1.106 -1.195 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.283 -0.507 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.748 -0.223 0.139 1.00 0.00 H new ATOM 1135 N GLU A 73 6.781 2.711 -2.998 1.00 0.00 N ATOM 1136 CA GLU A 73 6.715 3.265 -4.334 1.00 0.00 C ATOM 1137 C GLU A 73 6.940 4.790 -4.332 1.00 0.00 C ATOM 1138 O GLU A 73 6.983 5.410 -3.253 1.00 0.00 O ATOM 1139 CB GLU A 73 5.363 2.873 -4.964 1.00 0.00 C ATOM 1140 CG GLU A 73 5.571 1.955 -6.185 1.00 0.00 C ATOM 1141 CD GLU A 73 4.604 2.291 -7.320 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.408 2.472 -7.028 1.00 0.00 O ATOM 1143 OE2 GLU A 73 5.121 2.365 -8.465 1.00 0.00 O ATOM 0 H GLU A 73 5.894 2.329 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 73 7.521 2.851 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.746 2.365 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.824 3.771 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.597 2.051 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.433 0.916 -5.886 1.00 0.00 H new ATOM 1150 N PRO A 74 7.026 5.449 -5.501 1.00 0.00 N ATOM 1151 CA PRO A 74 7.151 6.895 -5.660 1.00 0.00 C ATOM 1152 C PRO A 74 5.874 7.667 -5.278 1.00 0.00 C ATOM 1153 O PRO A 74 5.537 8.690 -5.877 1.00 0.00 O ATOM 1154 CB PRO A 74 7.607 7.121 -7.098 1.00 0.00 C ATOM 1155 CG PRO A 74 7.207 5.858 -7.872 1.00 0.00 C ATOM 1156 CD PRO A 74 6.915 4.822 -6.817 1.00 0.00 C ATOM 0 HA PRO A 74 7.884 7.301 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.133 8.006 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.684 7.283 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.333 6.040 -8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.009 5.531 -8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.915 4.412 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.615 3.991 -6.900 1.00 0.00 H new ATOM 1164 N MET A 75 5.150 7.175 -4.264 1.00 0.00 N ATOM 1165 CA MET A 75 3.914 7.757 -3.781 1.00 0.00 C ATOM 1166 C MET A 75 3.650 7.415 -2.317 1.00 0.00 C ATOM 1167 O MET A 75 2.530 7.538 -1.840 1.00 0.00 O ATOM 1168 CB MET A 75 2.764 7.288 -4.680 1.00 0.00 C ATOM 1169 CG MET A 75 1.584 8.267 -4.616 1.00 0.00 C ATOM 1170 SD MET A 75 1.780 9.738 -5.662 1.00 0.00 S ATOM 1171 CE MET A 75 2.160 11.004 -4.423 1.00 0.00 C ATOM 0 H MET A 75 5.425 6.338 -3.750 1.00 0.00 H new ATOM 0 HA MET A 75 3.996 8.843 -3.827 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.114 7.201 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.436 6.296 -4.370 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.675 7.743 -4.912 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.446 8.585 -3.583 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.909 11.988 -4.819 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.577 10.817 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.222 10.970 -4.182 1.00 0.00 H new ATOM 1181 N TRP A 76 4.681 7.001 -1.558 1.00 0.00 N ATOM 1182 CA TRP A 76 4.531 6.592 -0.170 1.00 0.00 C ATOM 1183 C TRP A 76 5.852 6.748 0.555 1.00 0.00 C ATOM 1184 O TRP A 76 6.646 5.837 0.683 1.00 0.00 O ATOM 1185 CB TRP A 76 4.009 5.157 -0.146 1.00 0.00 C ATOM 1186 CG TRP A 76 2.671 4.953 -0.783 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.416 4.298 -1.942 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.387 5.505 -0.374 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.061 4.326 -2.232 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.379 5.108 -1.321 1.00 0.00 C ATOM 1191 CE3 TRP A 76 0.995 6.387 0.652 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.938 5.575 -1.237 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.322 6.854 0.737 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.288 6.459 -0.197 1.00 0.00 C ATOM 0 H TRP A 76 5.640 6.944 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 76 3.812 7.223 0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.734 4.516 -0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.954 4.825 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.166 3.820 -2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.626 3.835 -3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.721 6.708 1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.676 5.262 -1.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.597 7.529 1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.299 6.831 -0.120 1.00 0.00 H new ATOM 1205 N ILE A 77 6.123 7.964 1.034 1.00 0.00 N ATOM 1206 CA ILE A 77 7.411 8.269 1.665 1.00 0.00 C ATOM 1207 C ILE A 77 7.231 8.441 3.157 1.00 0.00 C ATOM 1208 O ILE A 77 6.734 7.570 3.834 1.00 0.00 O ATOM 1209 CB ILE A 77 8.154 9.409 0.951 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.082 9.331 -0.587 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.640 9.465 1.400 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.388 7.942 -1.182 1.00 0.00 C ATOM 0 H ILE A 77 5.473 8.750 0.998 1.00 0.00 H new ATOM 0 HA ILE A 77 8.084 7.420 1.545 1.00 0.00 H new ATOM 0 HB ILE A 77 7.639 10.323 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.085 9.635 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.784 10.052 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.146 10.279 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.689 9.634 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.129 8.521 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.313 7.987 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.397 7.640 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.671 7.216 -0.798 1.00 0.00 H new ATOM 1224 N ARG A 78 7.571 9.609 3.697 1.00 0.00 N ATOM 1225 CA ARG A 78 7.379 9.907 5.117 1.00 0.00 C ATOM 1226 C ARG A 78 5.922 10.264 5.458 1.00 0.00 C ATOM 1227 O ARG A 78 5.627 10.858 6.484 1.00 0.00 O ATOM 1228 CB ARG A 78 8.318 11.033 5.514 1.00 0.00 C ATOM 1229 CG ARG A 78 9.768 10.785 5.059 1.00 0.00 C ATOM 1230 CD ARG A 78 10.395 9.592 5.798 1.00 0.00 C ATOM 1231 NE ARG A 78 10.568 9.912 7.227 1.00 0.00 N ATOM 1232 CZ ARG A 78 11.464 10.737 7.729 1.00 0.00 C ATOM 1233 NH1 ARG A 78 12.345 11.311 6.967 1.00 0.00 N ATOM 1234 NH2 ARG A 78 11.485 11.008 8.990 1.00 0.00 N ATOM 0 H ARG A 78 7.986 10.374 3.166 1.00 0.00 H new ATOM 0 HA ARG A 78 7.610 9.007 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.961 11.968 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.297 11.154 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.787 10.599 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.365 11.679 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.760 8.713 5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.359 9.346 5.354 1.00 0.00 H new ATOM 0 HE ARG A 78 9.938 9.454 7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.350 11.126 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.032 11.947 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.801 10.581 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.186 11.649 9.362 1.00 0.00 H new ATOM 1248 N MET A 79 5.020 9.905 4.548 1.00 0.00 N ATOM 1249 CA MET A 79 3.591 10.139 4.585 1.00 0.00 C ATOM 1250 C MET A 79 2.857 8.836 4.800 1.00 0.00 C ATOM 1251 O MET A 79 1.918 8.788 5.582 1.00 0.00 O ATOM 1252 CB MET A 79 3.107 10.765 3.275 1.00 0.00 C ATOM 1253 CG MET A 79 3.931 10.365 2.052 1.00 0.00 C ATOM 1254 SD MET A 79 3.330 11.197 0.573 1.00 0.00 S ATOM 1255 CE MET A 79 2.816 9.730 -0.298 1.00 0.00 C ATOM 0 H MET A 79 5.297 9.405 3.703 1.00 0.00 H new ATOM 0 HA MET A 79 3.386 10.824 5.408 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.068 10.479 3.110 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.127 11.850 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.979 10.617 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.881 9.285 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.199 10.011 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.695 9.188 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.240 9.092 0.372 1.00 0.00 H new ATOM 1265 N ARG A 80 3.346 7.734 4.207 1.00 0.00 N ATOM 1266 CA ARG A 80 2.757 6.435 4.523 1.00 0.00 C ATOM 1267 C ARG A 80 2.750 6.074 6.007 1.00 0.00 C ATOM 1268 O ARG A 80 2.024 5.197 6.400 1.00 0.00 O ATOM 1269 CB ARG A 80 3.440 5.293 3.779 1.00 0.00 C ATOM 1270 CG ARG A 80 4.947 5.432 3.894 1.00 0.00 C ATOM 1271 CD ARG A 80 5.737 4.140 4.067 1.00 0.00 C ATOM 1272 NE ARG A 80 7.017 4.382 4.744 1.00 0.00 N ATOM 1273 CZ ARG A 80 8.086 4.943 4.223 1.00 0.00 C ATOM 1274 NH1 ARG A 80 8.165 5.308 2.982 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.132 5.154 4.956 1.00 0.00 N ATOM 0 H ARG A 80 4.114 7.718 3.536 1.00 0.00 H new ATOM 0 HA ARG A 80 1.724 6.552 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.121 4.336 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.144 5.302 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.312 5.938 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.166 6.082 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.148 3.426 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.919 3.690 3.091 1.00 0.00 H new ATOM 0 HE ARG A 80 7.084 4.085 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.372 5.164 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.020 5.739 2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.128 4.885 5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.960 5.589 4.550 1.00 0.00 H new ATOM 1289 N ASP A 81 3.542 6.758 6.834 1.00 0.00 N ATOM 1290 CA ASP A 81 3.493 6.573 8.282 1.00 0.00 C ATOM 1291 C ASP A 81 2.061 6.373 8.837 1.00 0.00 C ATOM 1292 O ASP A 81 1.791 5.578 9.732 1.00 0.00 O ATOM 1293 CB ASP A 81 4.180 7.772 8.959 1.00 0.00 C ATOM 1294 CG ASP A 81 5.147 7.357 10.075 1.00 0.00 C ATOM 1295 OD1 ASP A 81 5.808 6.308 9.904 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.258 8.150 11.038 1.00 0.00 O ATOM 0 H ASP A 81 4.227 7.447 6.523 1.00 0.00 H new ATOM 0 HA ASP A 81 4.022 5.648 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.725 8.343 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.419 8.434 9.373 1.00 0.00 H new ATOM 1301 N GLN A 82 1.096 7.064 8.218 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.292 6.990 8.587 1.00 0.00 C ATOM 1303 C GLN A 82 -0.972 5.895 7.796 1.00 0.00 C ATOM 1304 O GLN A 82 -1.640 5.034 8.372 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.975 8.323 8.307 1.00 0.00 C ATOM 1306 CG GLN A 82 -2.197 8.512 9.208 1.00 0.00 C ATOM 1307 CD GLN A 82 -1.860 9.512 10.298 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -1.645 9.190 11.455 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -1.766 10.769 9.930 1.00 0.00 N ATOM 0 H GLN A 82 1.277 7.695 7.437 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.366 6.767 9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.270 9.138 8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.279 8.367 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.045 8.866 8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.490 7.559 9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.947 11.032 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.512 11.483 10.613 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.809 5.910 6.458 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.439 4.928 5.558 1.00 0.00 C ATOM 1320 C VAL A 83 -0.962 3.519 5.898 1.00 0.00 C ATOM 1321 O VAL A 83 -1.579 2.566 5.490 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.207 5.218 4.061 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.348 6.708 3.797 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.110 4.660 3.576 1.00 0.00 C ATOM 0 H VAL A 83 -0.238 6.602 5.973 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.513 5.011 5.723 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.973 4.703 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.183 6.907 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.350 7.034 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.612 7.253 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.233 4.887 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.926 5.110 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.122 3.580 3.720 1.00 0.00 H new ATOM 1334 N MET A 84 0.124 3.380 6.649 1.00 0.00 N ATOM 1335 CA MET A 84 0.743 2.155 7.114 1.00 0.00 C ATOM 1336 C MET A 84 -0.116 1.525 8.194 1.00 0.00 C ATOM 1337 O MET A 84 -0.640 0.419 8.044 1.00 0.00 O ATOM 1338 CB MET A 84 2.102 2.474 7.740 1.00 0.00 C ATOM 1339 CG MET A 84 3.243 2.398 6.733 1.00 0.00 C ATOM 1340 SD MET A 84 4.739 3.340 7.173 1.00 0.00 S ATOM 1341 CE MET A 84 4.672 3.242 8.970 1.00 0.00 C ATOM 0 H MET A 84 0.636 4.200 6.975 1.00 0.00 H new ATOM 0 HA MET A 84 0.854 1.479 6.266 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.072 3.473 8.175 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.295 1.777 8.555 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.519 1.352 6.601 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.879 2.756 5.770 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.577 3.679 9.392 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.801 3.789 9.332 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.597 2.198 9.275 1.00 0.00 H new ATOM 1351 N SER A 85 -0.364 2.265 9.284 1.00 0.00 N ATOM 1352 CA SER A 85 -1.293 1.863 10.338 1.00 0.00 C ATOM 1353 C SER A 85 -2.756 1.864 9.889 1.00 0.00 C ATOM 1354 O SER A 85 -3.632 1.468 10.651 1.00 0.00 O ATOM 1355 CB SER A 85 -1.165 2.748 11.583 1.00 0.00 C ATOM 1356 OG SER A 85 -0.503 2.002 12.597 1.00 0.00 O ATOM 0 H SER A 85 0.081 3.167 9.456 1.00 0.00 H new ATOM 0 HA SER A 85 -1.009 0.839 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.603 3.652 11.349 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.150 3.064 11.927 1.00 0.00 H new ATOM 0 HG SER A 85 -0.411 2.554 13.402 1.00 0.00 H new ATOM 1362 N MET A 86 -3.034 2.229 8.636 1.00 0.00 N ATOM 1363 CA MET A 86 -4.360 2.195 8.036 1.00 0.00 C ATOM 1364 C MET A 86 -4.521 1.066 7.022 1.00 0.00 C ATOM 1365 O MET A 86 -5.472 0.277 7.059 1.00 0.00 O ATOM 1366 CB MET A 86 -4.611 3.542 7.383 1.00 0.00 C ATOM 1367 CG MET A 86 -4.746 4.664 8.412 1.00 0.00 C ATOM 1368 SD MET A 86 -6.172 4.410 9.495 1.00 0.00 S ATOM 1369 CE MET A 86 -5.993 5.841 10.571 1.00 0.00 C ATOM 0 H MET A 86 -2.316 2.566 7.994 1.00 0.00 H new ATOM 0 HA MET A 86 -5.093 1.999 8.818 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.792 3.772 6.702 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.520 3.490 6.783 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.838 4.718 9.013 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.845 5.620 7.897 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.796 5.845 11.308 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.031 5.794 11.082 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.043 6.753 9.975 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.505 0.877 6.182 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.371 -0.196 5.217 1.00 0.00 C ATOM 1381 C ALA A 87 -2.790 -1.462 5.873 1.00 0.00 C ATOM 1382 O ALA A 87 -2.208 -2.332 5.226 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.525 0.229 4.035 1.00 0.00 C ATOM 0 H ALA A 87 -2.707 1.512 6.161 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.369 -0.431 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.444 -0.598 3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.991 1.082 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.530 0.509 4.382 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.974 -1.590 7.198 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.639 -2.802 7.935 1.00 0.00 C ATOM 1391 C HIS A 88 -3.849 -3.639 8.319 1.00 0.00 C ATOM 1392 O HIS A 88 -3.700 -4.803 8.635 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.818 -2.436 9.173 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.620 -1.994 10.379 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.325 -2.297 11.691 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -3.760 -1.233 10.390 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -3.263 -1.734 12.486 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -4.145 -1.075 11.715 1.00 0.00 N ATOM 0 H HIS A 88 -3.361 -0.849 7.782 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.050 -3.429 7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.215 -3.299 9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.126 -1.637 8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.267 -0.830 9.526 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.298 -1.803 13.563 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.955 -0.551 12.045 1.00 0.00 H new ATOM 1407 N ASN A 89 -5.027 -3.014 8.369 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.315 -3.616 8.670 1.00 0.00 C ATOM 1409 C ASN A 89 -7.199 -3.602 7.443 1.00 0.00 C ATOM 1410 O ASN A 89 -7.965 -4.515 7.274 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.995 -2.911 9.845 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.563 -3.476 11.184 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -7.293 -3.581 12.144 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -5.308 -3.840 11.302 1.00 0.00 N ATOM 0 H ASN A 89 -5.105 -2.013 8.188 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.148 -4.652 8.963 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.763 -1.847 9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.076 -3.005 9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.964 -4.204 12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.677 -3.759 10.505 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.969 -2.673 6.513 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.689 -2.664 5.246 1.00 0.00 C ATOM 1423 C LEU A 90 -7.401 -3.920 4.419 1.00 0.00 C ATOM 1424 O LEU A 90 -8.332 -4.559 3.947 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.278 -1.409 4.463 1.00 0.00 C ATOM 1426 CG LEU A 90 -8.098 -0.169 4.826 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.443 1.053 4.166 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.534 -0.346 4.351 1.00 0.00 C ATOM 0 H LEU A 90 -6.290 -1.919 6.617 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.760 -2.654 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.223 -1.204 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.383 -1.605 3.396 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.119 -0.025 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.013 1.949 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.422 1.160 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.429 0.918 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.115 0.539 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.545 -0.482 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.971 -1.221 4.832 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.127 -4.325 4.240 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.825 -5.549 3.549 1.00 0.00 C ATOM 1442 C PRO A 91 -6.108 -6.795 4.380 1.00 0.00 C ATOM 1443 O PRO A 91 -6.434 -7.847 3.851 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.370 -5.473 3.153 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.760 -4.453 4.109 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.909 -3.703 4.729 1.00 0.00 C ATOM 0 HA PRO A 91 -6.473 -5.645 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.883 -6.444 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.258 -5.159 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.163 -4.948 4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.095 -3.772 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.860 -3.751 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.876 -2.649 4.454 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.964 -6.694 5.702 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.311 -7.804 6.583 1.00 0.00 C ATOM 1456 C ILE A 92 -7.802 -8.100 6.576 1.00 0.00 C ATOM 1457 O ILE A 92 -8.170 -9.262 6.489 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.837 -7.518 8.011 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.325 -7.810 8.078 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.683 -8.242 9.093 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.803 -8.245 9.454 1.00 0.00 C ATOM 0 H ILE A 92 -5.613 -5.864 6.180 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.801 -8.689 6.202 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.995 -6.466 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.090 -8.591 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.785 -6.915 7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.295 -7.998 10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.721 -7.918 9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.627 -9.319 8.938 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.730 -8.426 9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.999 -7.459 10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.309 -9.160 9.763 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.647 -7.077 6.680 1.00 0.00 N ATOM 1474 CA GLU A 93 -10.108 -7.173 6.663 1.00 0.00 C ATOM 1475 C GLU A 93 -10.627 -7.735 5.341 1.00 0.00 C ATOM 1476 O GLU A 93 -11.722 -8.287 5.279 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.762 -5.799 6.896 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.830 -5.421 8.393 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.260 -5.168 8.897 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -13.020 -4.486 8.177 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.560 -5.632 10.027 1.00 0.00 O ATOM 0 H GLU A 93 -8.320 -6.116 6.783 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.376 -7.852 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.199 -5.037 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.770 -5.805 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.382 -6.221 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.230 -4.527 8.561 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.811 -7.661 4.281 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.104 -8.310 3.014 1.00 0.00 C ATOM 1490 C CYS A 94 -9.491 -9.722 2.922 1.00 0.00 C ATOM 1491 O CYS A 94 -9.768 -10.442 1.967 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.559 -7.419 1.904 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.648 -6.094 1.323 1.00 0.00 S ATOM 0 H CYS A 94 -8.930 -7.147 4.287 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.182 -8.440 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.630 -6.968 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.306 -8.051 1.053 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.634 -10.123 3.873 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.947 -11.415 3.945 1.00 0.00 C ATOM 1500 C ASN A 95 -6.727 -11.468 3.023 1.00 0.00 C ATOM 1501 O ASN A 95 -6.275 -12.514 2.572 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.906 -12.582 3.683 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.510 -13.868 4.394 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.287 -14.481 5.106 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.315 -14.332 4.188 1.00 0.00 N ATOM 0 H ASN A 95 -8.390 -9.517 4.656 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.578 -11.522 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.909 -12.295 4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.952 -12.769 2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.027 -15.209 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.665 -13.820 3.592 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.164 -10.303 2.735 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.024 -10.178 1.853 1.00 0.00 C ATOM 1514 C LEU A 96 -3.784 -10.553 2.664 1.00 0.00 C ATOM 1515 O LEU A 96 -3.118 -11.544 2.397 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.016 -8.765 1.227 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.427 -8.338 0.729 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.468 -6.833 0.498 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.869 -9.098 -0.531 1.00 0.00 C ATOM 0 H LEU A 96 -6.492 -9.414 3.113 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.057 -10.855 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.658 -8.045 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.315 -8.743 0.392 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.138 -8.601 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.460 -6.545 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.247 -6.315 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.726 -6.560 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.860 -8.758 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.160 -8.909 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.901 -10.167 -0.319 1.00 0.00 H new ATOM 1531 N MET A 97 -3.579 -9.775 3.747 1.00 0.00 N ATOM 1532 CA MET A 97 -2.429 -9.929 4.625 1.00 0.00 C ATOM 1533 C MET A 97 -2.788 -10.322 6.064 1.00 0.00 C ATOM 1534 O MET A 97 -1.992 -10.115 6.974 1.00 0.00 O ATOM 1535 CB MET A 97 -1.532 -8.699 4.541 1.00 0.00 C ATOM 1536 CG MET A 97 -2.170 -7.516 5.258 1.00 0.00 C ATOM 1537 SD MET A 97 -1.325 -6.958 6.763 1.00 0.00 S ATOM 1538 CE MET A 97 -0.491 -5.501 6.117 1.00 0.00 C ATOM 0 H MET A 97 -4.213 -9.026 4.027 1.00 0.00 H new ATOM 0 HA MET A 97 -1.861 -10.785 4.261 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.562 -8.920 4.986 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.353 -8.444 3.496 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.223 -6.679 4.562 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.195 -7.781 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.054 -5.007 6.922 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.208 -5.798 5.335 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.228 -4.814 5.702 1.00 0.00 H new ATOM 1548 N SER A 98 -3.990 -10.877 6.285 1.00 0.00 N ATOM 1549 CA SER A 98 -4.529 -11.214 7.608 1.00 0.00 C ATOM 1550 C SER A 98 -3.438 -11.698 8.563 1.00 0.00 C ATOM 1551 O SER A 98 -3.076 -11.044 9.540 1.00 0.00 O ATOM 1552 CB SER A 98 -5.664 -12.231 7.490 1.00 0.00 C ATOM 1553 OG SER A 98 -6.104 -12.568 8.790 1.00 0.00 O ATOM 0 H SER A 98 -4.630 -11.109 5.526 1.00 0.00 H new ATOM 0 HA SER A 98 -4.940 -10.300 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.486 -11.814 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.321 -13.122 6.964 1.00 0.00 H new ATOM 0 HG SER A 98 -6.834 -13.219 8.730 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.915 -12.871 8.251 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.791 -13.415 8.969 1.00 0.00 C ATOM 1561 C GLN A 99 -1.052 -14.479 8.150 1.00 0.00 C ATOM 1562 O GLN A 99 -0.872 -15.600 8.619 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.282 -13.883 10.363 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.255 -13.536 11.443 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.898 -13.383 12.816 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.993 -13.825 13.136 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -1.224 -12.697 13.708 1.00 0.00 N ATOM 0 H GLN A 99 -3.260 -13.465 7.497 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.031 -12.651 9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.236 -13.410 10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.455 -14.959 10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.495 -14.316 11.484 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.747 -12.609 11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.308 -12.315 13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.616 -12.545 14.637 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.687 -14.158 6.889 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.045 -15.099 6.001 1.00 0.00 C ATOM 1578 C PRO A 100 1.405 -15.323 6.412 1.00 0.00 C ATOM 1579 O PRO A 100 1.787 -16.400 6.873 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.180 -14.544 4.592 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.433 -13.048 4.776 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.836 -12.860 6.225 1.00 0.00 C ATOM 0 HA PRO A 100 -0.517 -16.080 6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.724 -14.722 4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.002 -15.020 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.462 -12.471 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.219 -12.701 4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.209 -12.109 6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.865 -12.508 6.295 1.00 0.00 H new ATOM 1590 N CYS A 101 2.226 -14.286 6.217 1.00 0.00 N ATOM 1591 CA CYS A 101 3.604 -14.333 6.632 1.00 0.00 C ATOM 1592 C CYS A 101 3.679 -14.219 8.162 1.00 0.00 C ATOM 1593 O CYS A 101 2.690 -13.983 8.861 1.00 0.00 O ATOM 1594 CB CYS A 101 4.399 -13.236 5.915 1.00 0.00 C ATOM 1595 SG CYS A 101 3.831 -12.715 4.274 1.00 0.00 S ATOM 0 H CYS A 101 1.947 -13.411 5.773 1.00 0.00 H new ATOM 0 HA CYS A 101 4.055 -15.286 6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.413 -12.357 6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.430 -13.577 5.820 1.00 0.00 H new ATOM 1600 N GLN A 102 4.881 -14.331 8.696 1.00 0.00 N ATOM 1601 CA GLN A 102 5.179 -14.213 10.121 1.00 0.00 C ATOM 1602 C GLN A 102 5.993 -12.924 10.373 1.00 0.00 C ATOM 1603 O GLN A 102 6.160 -12.065 9.500 1.00 0.00 O ATOM 1604 CB GLN A 102 5.833 -15.531 10.617 1.00 0.00 C ATOM 1605 CG GLN A 102 6.689 -16.208 9.533 1.00 0.00 C ATOM 1606 CD GLN A 102 7.637 -17.233 10.112 1.00 0.00 C ATOM 1607 OE1 GLN A 102 7.258 -18.260 10.659 1.00 0.00 O ATOM 1608 NE2 GLN A 102 8.918 -16.980 10.007 1.00 0.00 N ATOM 0 H GLN A 102 5.711 -14.514 8.132 1.00 0.00 H new ATOM 0 HA GLN A 102 4.276 -14.097 10.720 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.455 -15.319 11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.053 -16.220 10.942 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.036 -16.690 8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.260 -15.450 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.233 -16.124 9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.600 -17.639 10.381 1.00 0.00 H new ATOM 1617 N MET A 103 6.407 -12.758 11.628 1.00 0.00 N ATOM 1618 CA MET A 103 7.342 -11.725 12.093 1.00 0.00 C ATOM 1619 C MET A 103 8.589 -11.547 11.221 1.00 0.00 C ATOM 1620 O MET A 103 8.960 -12.524 10.531 1.00 0.00 O ATOM 1621 CB MET A 103 7.747 -12.012 13.536 1.00 0.00 C ATOM 1622 CG MET A 103 8.286 -13.434 13.710 1.00 0.00 C ATOM 1623 SD MET A 103 9.608 -13.566 14.935 1.00 0.00 S ATOM 1624 CE MET A 103 8.751 -14.414 16.277 1.00 0.00 C ATOM 1625 OXT MET A 103 9.140 -10.418 11.275 1.00 0.00 O ATOM 0 H MET A 103 6.088 -13.364 12.384 1.00 0.00 H new ATOM 0 HA MET A 103 6.803 -10.781 12.020 1.00 0.00 H new ATOM 0 HB2 MET A 103 8.507 -11.296 13.848 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.886 -11.868 14.189 1.00 0.00 H new ATOM 0 HG2 MET A 103 7.466 -14.091 14.001 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.656 -13.793 12.749 1.00 0.00 H new ATOM 0 HE1 MET A 103 9.439 -14.567 17.108 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.908 -13.809 16.610 1.00 0.00 H new ATOM 0 HE3 MET A 103 8.387 -15.379 15.924 1.00 0.00 H new TER 1635 MET A 103