USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 607 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 74 CYS SG : rot 161:sc= 0.611 USER MOD Set 1.2: A 77 CYS SG : rot -50:sc= 0.288 USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.213 K(o=-0.1,f=-0.71) USER MOD Set 1.4: A 95 HIS : no HE2:sc= -1.22 X(o=-0.1,f=0.28) USER MOD Set 2.1: A 51 CYS SG : rot 105:sc= -0.15 USER MOD Set 2.2: A 56 SER OG : rot -125:sc= 1.38 USER MOD Set 3.1: A 44 CYS SG : rot 178:sc= -2.99! USER MOD Set 3.2: A 47 CYS SG : rot -58:sc= -0.594! USER MOD Set 3.3: A 60 HIS : no HE2:sc= 0.194 X(o=-4.4,f=-4.7) USER MOD Set 3.4: A 64 HIS : no HE2:sc= -1.02 K(o=-4.4,f=-3.6) USER MOD Set 4.1: A 16 CYS SG : rot 165:sc= 0.189 USER MOD Set 4.2: A 19 CYS SG : rot 33:sc= 0.164 USER MOD Set 4.3: A 32 HIS : no HE2:sc= -0.574 K(o=-0.51,f=-1.6) USER MOD Set 4.4: A 36 HIS : no HD1:sc= -0.289 X(o=-0.51,f=-0.96) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00288) USER MOD Single : A 25 SER OG : rot 180:sc= -0.28 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc=-0.00515 X(o=-0.0052,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.853 K(o=-0.85,f=-1.8!) USER MOD Single : A 34 MET CE :methyl -160:sc= -0.136 (180deg=-1.28) USER MOD Single : A 37 THR OG1 : rot -140:sc= 0.291 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 43 GLN : amide:sc= 0.468 K(o=0.47,f=-4.8!) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.331 USER MOD Single : A 53 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.023) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 61 MET CE :methyl -112:sc= -0.153 (180deg=-3.37!) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0105) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00797) USER MOD Single : A 73 SER OG : rot -30:sc= 0.0333 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0882) USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= 0.575 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 170:sc=-0.00877 (180deg=-0.131) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00194) USER MOD Single : A 94 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.496 -12.706 16.098 1.00 0.00 N ATOM 37 CA ARG A 12 13.523 -13.112 15.055 1.00 0.00 C ATOM 38 C ARG A 12 12.847 -11.813 14.566 1.00 0.00 C ATOM 39 O ARG A 12 11.678 -11.537 14.873 1.00 0.00 O ATOM 40 CB ARG A 12 12.501 -14.161 15.635 1.00 0.00 C ATOM 41 CG ARG A 12 11.742 -15.067 14.611 1.00 0.00 C ATOM 42 CD ARG A 12 10.900 -14.298 13.578 1.00 0.00 C ATOM 43 NE ARG A 12 9.966 -15.152 12.825 1.00 0.00 N ATOM 44 CZ ARG A 12 10.120 -15.565 11.556 1.00 0.00 C ATOM 45 NH1 ARG A 12 11.281 -15.421 10.920 1.00 0.00 N ATOM 46 NH2 ARG A 12 9.104 -16.147 10.945 1.00 0.00 N ATOM 0 HA ARG A 12 14.003 -13.613 14.214 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.040 -14.810 16.325 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.758 -13.620 16.221 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.469 -15.683 14.082 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.089 -15.746 15.160 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.335 -13.519 14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.568 -13.798 12.877 1.00 0.00 H new ATOM 0 HE ARG A 12 9.124 -15.458 13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.074 -14.991 11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.378 -15.741 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.220 -16.277 11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.204 -16.467 9.982 1.00 0.00 H new ATOM 60 N ASP A 13 13.639 -10.999 13.857 1.00 0.00 N ATOM 61 CA ASP A 13 13.259 -9.649 13.430 1.00 0.00 C ATOM 62 C ASP A 13 14.348 -9.104 12.498 1.00 0.00 C ATOM 63 O ASP A 13 15.437 -8.743 12.939 1.00 0.00 O ATOM 64 CB ASP A 13 13.019 -8.687 14.645 1.00 0.00 C ATOM 65 CG ASP A 13 14.137 -8.717 15.708 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.125 -9.631 16.567 1.00 0.00 O ATOM 67 OD2 ASP A 13 15.038 -7.852 15.686 1.00 0.00 O ATOM 0 H ASP A 13 14.578 -11.266 13.560 1.00 0.00 H new ATOM 0 HA ASP A 13 12.310 -9.705 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 13 12.915 -7.668 14.272 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.074 -8.950 15.121 1.00 0.00 H new ATOM 72 N TYR A 14 14.061 -9.105 11.198 1.00 0.00 N ATOM 73 CA TYR A 14 14.994 -8.639 10.166 1.00 0.00 C ATOM 74 C TYR A 14 14.897 -7.121 9.993 1.00 0.00 C ATOM 75 O TYR A 14 13.815 -6.573 9.743 1.00 0.00 O ATOM 76 CB TYR A 14 14.725 -9.378 8.849 1.00 0.00 C ATOM 77 CG TYR A 14 15.111 -10.868 8.911 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.246 -11.816 9.461 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.348 -11.321 8.436 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.591 -13.145 9.521 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.691 -12.652 8.500 1.00 0.00 C ATOM 82 CZ TYR A 14 15.812 -13.554 9.043 1.00 0.00 C ATOM 83 OH TYR A 14 16.156 -14.880 9.094 1.00 0.00 O ATOM 0 H TYR A 14 13.169 -9.431 10.825 1.00 0.00 H new ATOM 0 HA TYR A 14 16.014 -8.863 10.479 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.668 -9.291 8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.283 -8.896 8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.288 -11.499 9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.045 -10.613 8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.905 -13.865 9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.647 -12.985 8.125 1.00 0.00 H new ATOM 0 HH TYR A 14 17.052 -15.000 8.715 1.00 0.00 H new ATOM 93 N ILE A 15 16.053 -6.461 10.130 1.00 0.00 N ATOM 94 CA ILE A 15 16.167 -5.004 10.159 1.00 0.00 C ATOM 95 C ILE A 15 16.968 -4.575 8.913 1.00 0.00 C ATOM 96 O ILE A 15 17.806 -5.331 8.417 1.00 0.00 O ATOM 97 CB ILE A 15 16.908 -4.499 11.472 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.550 -5.357 12.730 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.623 -2.999 11.728 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.106 -5.311 13.150 1.00 0.00 C ATOM 0 H ILE A 15 16.950 -6.937 10.225 1.00 0.00 H new ATOM 0 HA ILE A 15 15.170 -4.563 10.161 1.00 0.00 H new ATOM 0 HB ILE A 15 17.977 -4.624 11.297 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.821 -6.394 12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.165 -5.022 13.565 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.142 -2.679 12.632 1.00 0.00 H new ATOM 0 HG22 ILE A 15 16.976 -2.412 10.880 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.551 -2.848 11.852 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.963 -5.938 14.030 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.829 -4.284 13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.479 -5.678 12.337 1.00 0.00 H new ATOM 112 N CYS A 16 16.696 -3.367 8.416 1.00 0.00 N ATOM 113 CA CYS A 16 17.431 -2.775 7.268 1.00 0.00 C ATOM 114 C CYS A 16 18.726 -2.104 7.776 1.00 0.00 C ATOM 115 O CYS A 16 19.625 -1.792 6.987 1.00 0.00 O ATOM 116 CB CYS A 16 16.518 -1.772 6.525 1.00 0.00 C ATOM 117 SG CYS A 16 17.124 -1.191 4.916 1.00 0.00 S ATOM 0 H CYS A 16 15.964 -2.763 8.789 1.00 0.00 H new ATOM 0 HA CYS A 16 17.712 -3.555 6.560 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.543 -2.237 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.364 -0.905 7.168 1.00 0.00 H new ATOM 0 HG CYS A 16 16.153 -0.621 4.266 1.00 0.00 H new ATOM 122 N GLU A 17 18.734 -1.824 9.108 1.00 0.00 N ATOM 123 CA GLU A 17 19.893 -1.306 9.880 1.00 0.00 C ATOM 124 C GLU A 17 20.093 0.212 9.618 1.00 0.00 C ATOM 125 O GLU A 17 20.981 0.854 10.193 1.00 0.00 O ATOM 126 CB GLU A 17 21.193 -2.144 9.608 1.00 0.00 C ATOM 127 CG GLU A 17 22.340 -1.904 10.616 1.00 0.00 C ATOM 128 CD GLU A 17 23.635 -2.679 10.294 1.00 0.00 C ATOM 129 OE1 GLU A 17 24.344 -2.291 9.338 1.00 0.00 O ATOM 130 OE2 GLU A 17 23.956 -3.668 10.991 1.00 0.00 O ATOM 0 H GLU A 17 17.907 -1.957 9.690 1.00 0.00 H new ATOM 0 HA GLU A 17 19.675 -1.423 10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.935 -3.203 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.554 -1.913 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.565 -0.838 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.999 -2.186 11.612 1.00 0.00 H new ATOM 137 N TYR A 18 19.213 0.780 8.776 1.00 0.00 N ATOM 138 CA TYR A 18 19.270 2.181 8.350 1.00 0.00 C ATOM 139 C TYR A 18 17.852 2.767 8.402 1.00 0.00 C ATOM 140 O TYR A 18 17.610 3.829 8.986 1.00 0.00 O ATOM 141 CB TYR A 18 19.862 2.276 6.919 1.00 0.00 C ATOM 142 CG TYR A 18 20.310 3.687 6.539 1.00 0.00 C ATOM 143 CD1 TYR A 18 21.016 4.464 7.452 1.00 0.00 C ATOM 144 CD2 TYR A 18 20.038 4.240 5.286 1.00 0.00 C ATOM 145 CE1 TYR A 18 21.426 5.730 7.145 1.00 0.00 C ATOM 146 CE2 TYR A 18 20.451 5.519 4.970 1.00 0.00 C ATOM 147 CZ TYR A 18 21.147 6.263 5.901 1.00 0.00 C ATOM 148 OH TYR A 18 21.553 7.552 5.594 1.00 0.00 O ATOM 0 H TYR A 18 18.431 0.267 8.368 1.00 0.00 H new ATOM 0 HA TYR A 18 19.917 2.752 9.016 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.713 1.599 6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.116 1.934 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 18 21.245 4.057 8.426 1.00 0.00 H new ATOM 0 HD2 TYR A 18 19.497 3.659 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.968 6.314 7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 18 20.230 5.936 3.998 1.00 0.00 H new ATOM 0 HH TYR A 18 21.279 7.772 4.679 1.00 0.00 H new ATOM 158 N CYS A 19 16.926 2.024 7.773 1.00 0.00 N ATOM 159 CA CYS A 19 15.508 2.396 7.654 1.00 0.00 C ATOM 160 C CYS A 19 14.613 1.146 7.730 1.00 0.00 C ATOM 161 O CYS A 19 14.207 0.610 6.705 1.00 0.00 O ATOM 162 CB CYS A 19 15.297 3.178 6.332 1.00 0.00 C ATOM 163 SG CYS A 19 16.358 2.612 4.966 1.00 0.00 S ATOM 0 H CYS A 19 17.146 1.134 7.326 1.00 0.00 H new ATOM 0 HA CYS A 19 15.224 3.041 8.485 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.253 3.088 6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.487 4.236 6.512 1.00 0.00 H new ATOM 0 HG CYS A 19 16.558 1.332 5.074 1.00 0.00 H new ATOM 168 N ALA A 20 14.425 0.633 8.959 1.00 0.00 N ATOM 169 CA ALA A 20 13.409 -0.388 9.279 1.00 0.00 C ATOM 170 C ALA A 20 13.257 -0.553 10.793 1.00 0.00 C ATOM 171 O ALA A 20 14.249 -0.572 11.529 1.00 0.00 O ATOM 172 CB ALA A 20 13.721 -1.755 8.648 1.00 0.00 C ATOM 0 H ALA A 20 14.979 0.918 9.767 1.00 0.00 H new ATOM 0 HA ALA A 20 12.473 -0.028 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.940 -2.467 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.762 -1.654 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.682 -2.115 9.016 1.00 0.00 H new ATOM 178 N ARG A 21 11.996 -0.658 11.226 1.00 0.00 N ATOM 179 CA ARG A 21 11.651 -1.064 12.593 1.00 0.00 C ATOM 180 C ARG A 21 11.982 -2.564 12.781 1.00 0.00 C ATOM 181 O ARG A 21 13.016 -2.881 13.380 1.00 0.00 O ATOM 182 CB ARG A 21 10.160 -0.701 12.932 1.00 0.00 C ATOM 183 CG ARG A 21 9.140 -0.878 11.779 1.00 0.00 C ATOM 184 CD ARG A 21 7.709 -0.510 12.197 1.00 0.00 C ATOM 185 NE ARG A 21 6.819 -0.342 11.035 1.00 0.00 N ATOM 186 CZ ARG A 21 5.829 0.561 10.951 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.508 1.312 11.995 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.150 0.682 9.833 1.00 0.00 N ATOM 0 H ARG A 21 11.185 -0.464 10.638 1.00 0.00 H new ATOM 0 HA ARG A 21 12.254 -0.507 13.310 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.839 -1.316 13.772 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.126 0.336 13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.439 -0.257 10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.160 -1.913 11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.311 -1.288 12.849 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.727 0.413 12.776 1.00 0.00 H new ATOM 0 HE ARG A 21 6.966 -0.957 10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.015 1.207 12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.754 1.995 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.376 0.091 9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.397 1.367 9.765 1.00 0.00 H new ATOM 202 N ALA A 22 11.122 -3.469 12.267 1.00 0.00 N ATOM 203 CA ALA A 22 11.405 -4.917 12.205 1.00 0.00 C ATOM 204 C ALA A 22 10.451 -5.601 11.224 1.00 0.00 C ATOM 205 O ALA A 22 9.318 -5.150 11.035 1.00 0.00 O ATOM 206 CB ALA A 22 11.275 -5.544 13.596 1.00 0.00 C ATOM 0 H ALA A 22 10.212 -3.215 11.883 1.00 0.00 H new ATOM 0 HA ALA A 22 12.427 -5.058 11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.486 -6.612 13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.984 -5.072 14.276 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.262 -5.395 13.969 1.00 0.00 H new ATOM 212 N PHE A 23 10.928 -6.682 10.586 1.00 0.00 N ATOM 213 CA PHE A 23 10.116 -7.513 9.683 1.00 0.00 C ATOM 214 C PHE A 23 10.192 -8.981 10.103 1.00 0.00 C ATOM 215 O PHE A 23 11.178 -9.408 10.712 1.00 0.00 O ATOM 216 CB PHE A 23 10.599 -7.355 8.230 1.00 0.00 C ATOM 217 CG PHE A 23 10.380 -5.962 7.645 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.203 -5.643 6.970 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.367 -4.984 7.735 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.022 -4.395 6.413 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.182 -3.741 7.181 1.00 0.00 C ATOM 222 CZ PHE A 23 10.015 -3.444 6.514 1.00 0.00 C ATOM 0 H PHE A 23 11.891 -7.005 10.682 1.00 0.00 H new ATOM 0 HA PHE A 23 9.080 -7.181 9.746 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.662 -7.593 8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.082 -8.084 7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.422 -6.384 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.291 -5.206 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.102 -4.162 5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.956 -2.993 7.269 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.878 -2.469 6.071 1.00 0.00 H new ATOM 232 N LYS A 24 9.132 -9.734 9.784 1.00 0.00 N ATOM 233 CA LYS A 24 9.054 -11.182 10.039 1.00 0.00 C ATOM 234 C LYS A 24 10.145 -11.973 9.279 1.00 0.00 C ATOM 235 O LYS A 24 10.651 -12.969 9.794 1.00 0.00 O ATOM 236 CB LYS A 24 7.626 -11.692 9.678 1.00 0.00 C ATOM 237 CG LYS A 24 6.495 -11.073 10.544 1.00 0.00 C ATOM 238 CD LYS A 24 5.064 -11.491 10.104 1.00 0.00 C ATOM 239 CE LYS A 24 4.826 -13.014 10.137 1.00 0.00 C ATOM 240 NZ LYS A 24 5.038 -13.589 11.485 1.00 0.00 N ATOM 0 H LYS A 24 8.297 -9.355 9.338 1.00 0.00 H new ATOM 0 HA LYS A 24 9.241 -11.354 11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.428 -11.472 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.601 -12.776 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.645 -11.366 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.574 -9.987 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.337 -11.004 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.883 -11.126 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.808 -13.227 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.497 -13.499 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.850 -14.612 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.021 -13.425 11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.392 -13.135 12.162 1.00 0.00 H new ATOM 254 N SER A 25 10.538 -11.505 8.082 1.00 0.00 N ATOM 255 CA SER A 25 11.556 -12.187 7.258 1.00 0.00 C ATOM 256 C SER A 25 12.377 -11.175 6.442 1.00 0.00 C ATOM 257 O SER A 25 11.977 -10.018 6.280 1.00 0.00 O ATOM 258 CB SER A 25 10.891 -13.220 6.326 1.00 0.00 C ATOM 259 OG SER A 25 9.990 -12.607 5.423 1.00 0.00 O ATOM 0 H SER A 25 10.166 -10.654 7.661 1.00 0.00 H new ATOM 0 HA SER A 25 12.238 -12.710 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.660 -13.754 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.360 -13.960 6.924 1.00 0.00 H new ATOM 0 HG SER A 25 9.588 -13.291 4.847 1.00 0.00 H new ATOM 265 N SER A 26 13.564 -11.626 6.001 1.00 0.00 N ATOM 266 CA SER A 26 14.452 -10.863 5.097 1.00 0.00 C ATOM 267 C SER A 26 13.746 -10.465 3.782 1.00 0.00 C ATOM 268 O SER A 26 14.024 -9.401 3.229 1.00 0.00 O ATOM 269 CB SER A 26 15.723 -11.688 4.801 1.00 0.00 C ATOM 270 OG SER A 26 15.391 -12.961 4.275 1.00 0.00 O ATOM 0 H SER A 26 13.940 -12.537 6.262 1.00 0.00 H new ATOM 0 HA SER A 26 14.726 -9.937 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.353 -11.151 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.304 -11.809 5.715 1.00 0.00 H new ATOM 0 HG SER A 26 16.212 -13.464 4.094 1.00 0.00 H new ATOM 276 N HIS A 27 12.866 -11.353 3.278 1.00 0.00 N ATOM 277 CA HIS A 27 12.047 -11.112 2.065 1.00 0.00 C ATOM 278 C HIS A 27 10.864 -10.155 2.331 1.00 0.00 C ATOM 279 O HIS A 27 10.484 -9.380 1.441 1.00 0.00 O ATOM 280 CB HIS A 27 11.595 -12.445 1.431 1.00 0.00 C ATOM 281 CG HIS A 27 12.728 -13.198 0.781 1.00 0.00 C ATOM 282 ND1 HIS A 27 13.088 -14.478 1.132 1.00 0.00 N ATOM 283 CD2 HIS A 27 13.588 -12.827 -0.199 1.00 0.00 C ATOM 284 CE1 HIS A 27 14.112 -14.864 0.404 1.00 0.00 C ATOM 285 NE2 HIS A 27 14.437 -13.879 -0.412 1.00 0.00 N ATOM 0 H HIS A 27 12.700 -12.266 3.702 1.00 0.00 H new ATOM 0 HA HIS A 27 12.681 -10.603 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.142 -13.072 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.824 -12.245 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.601 -11.878 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.604 -15.824 0.463 1.00 0.00 H new ATOM 0 HE2 HIS A 27 15.198 -13.899 -1.091 1.00 0.00 H new ATOM 294 N ASN A 28 10.267 -10.243 3.534 1.00 0.00 N ATOM 295 CA ASN A 28 9.269 -9.249 4.027 1.00 0.00 C ATOM 296 C ASN A 28 9.897 -7.834 3.975 1.00 0.00 C ATOM 297 O ASN A 28 9.302 -6.872 3.497 1.00 0.00 O ATOM 298 CB ASN A 28 8.899 -9.576 5.500 1.00 0.00 C ATOM 299 CG ASN A 28 7.644 -8.888 6.082 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.083 -9.379 7.063 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.169 -7.780 5.507 1.00 0.00 N ATOM 0 H ASN A 28 10.455 -10.997 4.195 1.00 0.00 H new ATOM 0 HA ASN A 28 8.376 -9.288 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.762 -10.654 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.750 -9.314 6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.333 -7.330 5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.643 -7.383 4.695 1.00 0.00 H new ATOM 308 N LEU A 29 11.093 -7.757 4.551 1.00 0.00 N ATOM 309 CA LEU A 29 11.975 -6.588 4.509 1.00 0.00 C ATOM 310 C LEU A 29 12.372 -6.201 3.075 1.00 0.00 C ATOM 311 O LEU A 29 12.411 -5.023 2.768 1.00 0.00 O ATOM 312 CB LEU A 29 13.203 -6.875 5.426 1.00 0.00 C ATOM 313 CG LEU A 29 14.547 -6.146 5.112 1.00 0.00 C ATOM 314 CD1 LEU A 29 14.448 -4.630 5.394 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.710 -6.801 5.885 1.00 0.00 C ATOM 0 H LEU A 29 11.492 -8.533 5.079 1.00 0.00 H new ATOM 0 HA LEU A 29 11.444 -5.714 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.920 -6.625 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.393 -7.948 5.401 1.00 0.00 H new ATOM 0 HG LEU A 29 14.753 -6.254 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.401 -4.154 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.666 -4.195 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.207 -4.470 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.639 -6.280 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.516 -6.739 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.798 -7.847 5.592 1.00 0.00 H new ATOM 327 N ALA A 30 12.648 -7.204 2.226 1.00 0.00 N ATOM 328 CA ALA A 30 12.991 -6.999 0.791 1.00 0.00 C ATOM 329 C ALA A 30 11.897 -6.210 0.024 1.00 0.00 C ATOM 330 O ALA A 30 12.189 -5.536 -0.974 1.00 0.00 O ATOM 331 CB ALA A 30 13.305 -8.326 0.095 1.00 0.00 C ATOM 0 H ALA A 30 12.642 -8.185 2.506 1.00 0.00 H new ATOM 0 HA ALA A 30 13.893 -6.387 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.551 -8.139 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.152 -8.804 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.436 -8.981 0.152 1.00 0.00 H new ATOM 337 N VAL A 31 10.643 -6.312 0.509 1.00 0.00 N ATOM 338 CA VAL A 31 9.499 -5.522 0.007 1.00 0.00 C ATOM 339 C VAL A 31 9.759 -4.005 0.190 1.00 0.00 C ATOM 340 O VAL A 31 9.527 -3.223 -0.725 1.00 0.00 O ATOM 341 CB VAL A 31 8.160 -5.947 0.725 1.00 0.00 C ATOM 342 CG1 VAL A 31 6.962 -5.057 0.316 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.855 -7.446 0.466 1.00 0.00 C ATOM 0 H VAL A 31 10.393 -6.949 1.265 1.00 0.00 H new ATOM 0 HA VAL A 31 9.390 -5.726 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 31 8.307 -5.800 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.065 -5.391 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.171 -4.021 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.804 -5.131 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.928 -7.721 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.751 -7.616 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.672 -8.056 0.852 1.00 0.00 H new ATOM 353 N HIS A 32 10.259 -3.615 1.377 1.00 0.00 N ATOM 354 CA HIS A 32 10.708 -2.229 1.662 1.00 0.00 C ATOM 355 C HIS A 32 12.027 -1.921 0.930 1.00 0.00 C ATOM 356 O HIS A 32 12.182 -0.868 0.303 1.00 0.00 O ATOM 357 CB HIS A 32 10.865 -2.006 3.211 1.00 0.00 C ATOM 358 CG HIS A 32 11.908 -0.970 3.597 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.706 0.386 3.528 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.218 -1.136 3.946 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.863 0.989 3.811 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.822 0.120 4.067 1.00 0.00 N ATOM 0 H HIS A 32 10.365 -4.248 2.170 1.00 0.00 H new ATOM 0 HA HIS A 32 9.947 -1.541 1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.902 -1.703 3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.125 -2.956 3.677 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.827 0.851 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.709 -2.085 4.103 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.998 2.060 3.828 1.00 0.00 H new ATOM 370 N ARG A 33 12.959 -2.878 1.030 1.00 0.00 N ATOM 371 CA ARG A 33 14.334 -2.794 0.521 1.00 0.00 C ATOM 372 C ARG A 33 14.360 -2.661 -1.016 1.00 0.00 C ATOM 373 O ARG A 33 15.412 -2.419 -1.566 1.00 0.00 O ATOM 374 CB ARG A 33 15.110 -4.059 0.997 1.00 0.00 C ATOM 375 CG ARG A 33 16.649 -4.047 0.836 1.00 0.00 C ATOM 376 CD ARG A 33 17.275 -5.449 1.039 1.00 0.00 C ATOM 377 NE ARG A 33 18.731 -5.443 0.779 1.00 0.00 N ATOM 378 CZ ARG A 33 19.417 -6.365 0.073 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.805 -7.389 -0.517 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.726 -6.236 -0.052 1.00 0.00 N ATOM 0 H ARG A 33 12.767 -3.769 1.487 1.00 0.00 H new ATOM 0 HA ARG A 33 14.816 -1.899 0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.882 -4.219 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.720 -4.919 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.905 -3.678 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.081 -3.351 1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.089 -5.786 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.790 -6.163 0.374 1.00 0.00 H new ATOM 0 HE ARG A 33 19.267 -4.668 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.793 -7.491 -0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.348 -8.072 -1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.205 -5.447 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.258 -6.926 -0.583 1.00 0.00 H new ATOM 394 N MET A 34 13.170 -2.748 -1.672 1.00 0.00 N ATOM 395 CA MET A 34 12.970 -2.517 -3.140 1.00 0.00 C ATOM 396 C MET A 34 13.648 -1.217 -3.697 1.00 0.00 C ATOM 397 O MET A 34 13.748 -1.038 -4.912 1.00 0.00 O ATOM 398 CB MET A 34 11.464 -2.486 -3.464 1.00 0.00 C ATOM 399 CG MET A 34 10.704 -1.271 -2.907 1.00 0.00 C ATOM 400 SD MET A 34 8.951 -1.325 -3.314 1.00 0.00 S ATOM 401 CE MET A 34 8.985 -1.348 -5.103 1.00 0.00 C ATOM 0 H MET A 34 12.303 -2.985 -1.190 1.00 0.00 H new ATOM 0 HA MET A 34 13.465 -3.352 -3.637 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.340 -2.508 -4.547 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.005 -3.394 -3.072 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.823 -1.234 -1.824 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.141 -0.356 -3.307 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.017 -1.028 -5.489 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.760 -0.671 -5.461 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.198 -2.359 -5.450 1.00 0.00 H new ATOM 411 N ILE A 35 14.087 -0.336 -2.789 1.00 0.00 N ATOM 412 CA ILE A 35 14.858 0.860 -3.099 1.00 0.00 C ATOM 413 C ILE A 35 16.374 0.486 -3.219 1.00 0.00 C ATOM 414 O ILE A 35 17.006 0.800 -4.229 1.00 0.00 O ATOM 415 CB ILE A 35 14.577 2.000 -2.016 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.705 3.079 -1.963 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.308 1.417 -0.606 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.839 3.953 -3.204 1.00 0.00 C ATOM 0 H ILE A 35 13.907 -0.445 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 35 14.548 1.269 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 35 13.668 2.501 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.525 3.725 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.656 2.576 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.123 2.231 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.436 0.764 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 35 15.176 0.845 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.651 4.666 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.056 3.326 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.907 4.493 -3.371 1.00 0.00 H new ATOM 430 N HIS A 36 16.940 -0.196 -2.188 1.00 0.00 N ATOM 431 CA HIS A 36 18.409 -0.523 -2.107 1.00 0.00 C ATOM 432 C HIS A 36 18.756 -2.012 -2.415 1.00 0.00 C ATOM 433 O HIS A 36 19.935 -2.375 -2.347 1.00 0.00 O ATOM 434 CB HIS A 36 19.022 -0.124 -0.705 1.00 0.00 C ATOM 435 CG HIS A 36 18.061 0.436 0.313 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.887 1.775 0.515 1.00 0.00 N ATOM 437 CD2 HIS A 36 17.249 -0.187 1.222 1.00 0.00 C ATOM 438 CE1 HIS A 36 17.014 1.935 1.502 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.588 0.778 1.979 1.00 0.00 N ATOM 0 H HIS A 36 16.404 -0.537 -1.390 1.00 0.00 H new ATOM 0 HA HIS A 36 18.861 0.079 -2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.497 -1.006 -0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.808 0.612 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.138 -1.255 1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.690 2.897 1.872 1.00 0.00 H new ATOM 0 HE2 HIS A 36 15.921 0.625 2.736 1.00 0.00 H new ATOM 447 N THR A 37 17.768 -2.857 -2.746 1.00 0.00 N ATOM 448 CA THR A 37 17.948 -4.336 -2.736 1.00 0.00 C ATOM 449 C THR A 37 18.857 -4.849 -3.868 1.00 0.00 C ATOM 450 O THR A 37 19.793 -5.617 -3.620 1.00 0.00 O ATOM 451 CB THR A 37 16.573 -5.106 -2.768 1.00 0.00 C ATOM 452 OG1 THR A 37 16.793 -6.530 -2.779 1.00 0.00 O ATOM 453 CG2 THR A 37 15.695 -4.699 -3.962 1.00 0.00 C ATOM 0 H THR A 37 16.835 -2.553 -3.025 1.00 0.00 H new ATOM 0 HA THR A 37 18.448 -4.548 -1.791 1.00 0.00 H new ATOM 0 HB THR A 37 16.035 -4.827 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.154 -6.955 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.761 -5.260 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.479 -3.632 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.221 -4.916 -4.891 1.00 0.00 H new ATOM 461 N GLY A 38 18.583 -4.415 -5.110 1.00 0.00 N ATOM 462 CA GLY A 38 19.131 -5.056 -6.307 1.00 0.00 C ATOM 463 C GLY A 38 18.301 -6.272 -6.753 1.00 0.00 C ATOM 464 O GLY A 38 18.240 -6.573 -7.949 1.00 0.00 O ATOM 0 H GLY A 38 17.980 -3.616 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.171 -4.330 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.156 -5.371 -6.110 1.00 0.00 H new ATOM 468 N GLU A 39 17.659 -6.973 -5.782 1.00 0.00 N ATOM 469 CA GLU A 39 16.738 -8.098 -6.028 1.00 0.00 C ATOM 470 C GLU A 39 15.295 -7.598 -5.832 1.00 0.00 C ATOM 471 O GLU A 39 14.715 -7.777 -4.746 1.00 0.00 O ATOM 472 CB GLU A 39 17.033 -9.263 -5.024 1.00 0.00 C ATOM 473 CG GLU A 39 18.508 -9.668 -4.896 1.00 0.00 C ATOM 474 CD GLU A 39 18.723 -10.725 -3.806 1.00 0.00 C ATOM 475 OE1 GLU A 39 18.545 -11.931 -4.091 1.00 0.00 O ATOM 476 OE2 GLU A 39 19.022 -10.354 -2.645 1.00 0.00 O ATOM 0 H GLU A 39 17.774 -6.763 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 39 16.873 -8.471 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.668 -8.972 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.460 -10.138 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.861 -10.056 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.107 -8.786 -4.669 1.00 0.00 H new ATOM 483 N LYS A 40 14.781 -6.865 -6.830 1.00 0.00 N ATOM 484 CA LYS A 40 13.393 -6.340 -6.825 1.00 0.00 C ATOM 485 C LYS A 40 12.346 -7.463 -6.560 1.00 0.00 C ATOM 486 O LYS A 40 12.431 -8.543 -7.161 1.00 0.00 O ATOM 487 CB LYS A 40 13.076 -5.607 -8.166 1.00 0.00 C ATOM 488 CG LYS A 40 13.390 -6.426 -9.432 1.00 0.00 C ATOM 489 CD LYS A 40 13.033 -5.683 -10.739 1.00 0.00 C ATOM 490 CE LYS A 40 13.526 -6.420 -11.995 1.00 0.00 C ATOM 491 NZ LYS A 40 13.041 -7.824 -12.069 1.00 0.00 N ATOM 0 H LYS A 40 15.309 -6.615 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 40 13.322 -5.624 -6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.020 -5.336 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.644 -4.677 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.451 -6.676 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.841 -7.367 -9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.952 -5.558 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.468 -4.684 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.194 -5.879 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.616 -6.416 -12.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.318 -8.239 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.461 -8.377 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.005 -7.838 -11.983 1.00 0.00 H new ATOM 505 N PRO A 41 11.375 -7.243 -5.611 1.00 0.00 N ATOM 506 CA PRO A 41 10.229 -8.161 -5.415 1.00 0.00 C ATOM 507 C PRO A 41 9.186 -8.002 -6.542 1.00 0.00 C ATOM 508 O PRO A 41 9.416 -7.281 -7.526 1.00 0.00 O ATOM 509 CB PRO A 41 9.676 -7.734 -4.028 1.00 0.00 C ATOM 510 CG PRO A 41 9.993 -6.275 -3.942 1.00 0.00 C ATOM 511 CD PRO A 41 11.336 -6.116 -4.636 1.00 0.00 C ATOM 0 HA PRO A 41 10.502 -9.216 -5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.603 -7.914 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.149 -8.293 -3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.224 -5.676 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.044 -5.944 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.414 -5.152 -5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.161 -6.174 -3.926 1.00 0.00 H new ATOM 519 N LEU A 42 8.040 -8.672 -6.394 1.00 0.00 N ATOM 520 CA LEU A 42 6.972 -8.669 -7.406 1.00 0.00 C ATOM 521 C LEU A 42 5.856 -7.730 -6.928 1.00 0.00 C ATOM 522 O LEU A 42 5.026 -8.103 -6.093 1.00 0.00 O ATOM 523 CB LEU A 42 6.473 -10.118 -7.621 1.00 0.00 C ATOM 524 CG LEU A 42 7.580 -11.142 -8.043 1.00 0.00 C ATOM 525 CD1 LEU A 42 7.051 -12.587 -8.037 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.196 -10.771 -9.416 1.00 0.00 C ATOM 0 H LEU A 42 7.823 -9.233 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 42 7.334 -8.304 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.008 -10.467 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.696 -10.109 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 42 8.374 -11.086 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.848 -13.268 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.709 -12.845 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.220 -12.673 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.961 -11.501 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.416 -10.771 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.645 -9.780 -9.357 1.00 0.00 H new ATOM 538 N GLN A 43 5.856 -6.503 -7.462 1.00 0.00 N ATOM 539 CA GLN A 43 5.057 -5.382 -6.936 1.00 0.00 C ATOM 540 C GLN A 43 4.106 -4.900 -8.053 1.00 0.00 C ATOM 541 O GLN A 43 4.527 -4.729 -9.204 1.00 0.00 O ATOM 542 CB GLN A 43 6.023 -4.240 -6.466 1.00 0.00 C ATOM 543 CG GLN A 43 5.492 -3.259 -5.387 1.00 0.00 C ATOM 544 CD GLN A 43 4.249 -2.463 -5.792 1.00 0.00 C ATOM 545 OE1 GLN A 43 3.118 -2.856 -5.512 1.00 0.00 O ATOM 546 NE2 GLN A 43 4.444 -1.360 -6.488 1.00 0.00 N ATOM 0 H GLN A 43 6.414 -6.255 -8.279 1.00 0.00 H new ATOM 0 HA GLN A 43 4.460 -5.690 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.932 -4.703 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.307 -3.657 -7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.264 -3.825 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.287 -2.558 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.393 -1.056 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.646 -0.811 -6.808 1.00 0.00 H new ATOM 555 N CYS A 44 2.833 -4.687 -7.694 1.00 0.00 N ATOM 556 CA CYS A 44 1.800 -4.175 -8.604 1.00 0.00 C ATOM 557 C CYS A 44 2.006 -2.665 -8.848 1.00 0.00 C ATOM 558 O CYS A 44 1.704 -1.846 -7.973 1.00 0.00 O ATOM 559 CB CYS A 44 0.390 -4.419 -8.010 1.00 0.00 C ATOM 560 SG CYS A 44 -0.972 -3.618 -8.937 1.00 0.00 S ATOM 0 H CYS A 44 2.487 -4.868 -6.751 1.00 0.00 H new ATOM 0 HA CYS A 44 1.882 -4.705 -9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.206 -5.493 -7.973 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.375 -4.058 -6.982 1.00 0.00 H new ATOM 0 HG CYS A 44 -2.109 -3.913 -8.380 1.00 0.00 H new ATOM 565 N GLU A 45 2.487 -2.291 -10.047 1.00 0.00 N ATOM 566 CA GLU A 45 2.734 -0.877 -10.423 1.00 0.00 C ATOM 567 C GLU A 45 1.448 -0.238 -11.006 1.00 0.00 C ATOM 568 O GLU A 45 1.477 0.540 -11.962 1.00 0.00 O ATOM 569 CB GLU A 45 3.957 -0.760 -11.400 1.00 0.00 C ATOM 570 CG GLU A 45 3.837 -1.498 -12.761 1.00 0.00 C ATOM 571 CD GLU A 45 4.079 -3.014 -12.661 1.00 0.00 C ATOM 572 OE1 GLU A 45 5.254 -3.426 -12.582 1.00 0.00 O ATOM 573 OE2 GLU A 45 3.103 -3.791 -12.628 1.00 0.00 O ATOM 0 H GLU A 45 2.717 -2.956 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 45 2.995 -0.316 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.132 0.297 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.841 -1.137 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.843 -1.323 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.553 -1.069 -13.462 1.00 0.00 H new ATOM 580 N ILE A 46 0.314 -0.541 -10.354 1.00 0.00 N ATOM 581 CA ILE A 46 -1.033 -0.070 -10.734 1.00 0.00 C ATOM 582 C ILE A 46 -1.673 0.573 -9.458 1.00 0.00 C ATOM 583 O ILE A 46 -2.750 1.172 -9.491 1.00 0.00 O ATOM 584 CB ILE A 46 -1.956 -1.235 -11.294 1.00 0.00 C ATOM 585 CG1 ILE A 46 -1.306 -2.036 -12.492 1.00 0.00 C ATOM 586 CG2 ILE A 46 -3.336 -0.683 -11.742 1.00 0.00 C ATOM 587 CD1 ILE A 46 -0.324 -3.136 -12.116 1.00 0.00 C ATOM 0 H ILE A 46 0.306 -1.136 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.945 0.653 -11.545 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.079 -1.931 -10.465 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.108 -2.481 -13.081 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.792 -1.325 -13.139 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.949 -1.500 -12.121 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.836 -0.219 -10.892 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.193 0.059 -12.528 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.053 -3.612 -13.021 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.508 -2.706 -11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.829 -3.879 -11.499 1.00 0.00 H new ATOM 599 N CYS A 47 -0.902 0.504 -8.352 1.00 0.00 N ATOM 600 CA CYS A 47 -1.324 0.802 -6.985 1.00 0.00 C ATOM 601 C CYS A 47 -0.115 0.409 -6.113 1.00 0.00 C ATOM 602 O CYS A 47 1.027 0.723 -6.480 1.00 0.00 O ATOM 603 CB CYS A 47 -2.669 0.090 -6.589 1.00 0.00 C ATOM 604 SG CYS A 47 -2.548 -1.666 -6.077 1.00 0.00 S ATOM 0 H CYS A 47 0.078 0.224 -8.401 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.575 1.854 -6.849 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.125 0.652 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.350 0.151 -7.438 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.013 -2.362 -7.036 1.00 0.00 H new ATOM 609 N GLY A 48 -0.332 -0.256 -4.988 1.00 0.00 N ATOM 610 CA GLY A 48 0.739 -0.837 -4.187 1.00 0.00 C ATOM 611 C GLY A 48 0.225 -2.142 -3.595 1.00 0.00 C ATOM 612 O GLY A 48 -0.829 -2.117 -2.950 1.00 0.00 O ATOM 0 H GLY A 48 -1.263 -0.410 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.620 -1.018 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.039 -0.151 -3.395 1.00 0.00 H new ATOM 616 N PHE A 49 0.928 -3.276 -3.765 1.00 0.00 N ATOM 617 CA PHE A 49 0.425 -4.616 -3.478 1.00 0.00 C ATOM 618 C PHE A 49 1.611 -5.490 -3.853 1.00 0.00 C ATOM 619 O PHE A 49 1.950 -5.573 -5.040 1.00 0.00 O ATOM 620 CB PHE A 49 -0.832 -4.980 -4.333 1.00 0.00 C ATOM 621 CG PHE A 49 -1.321 -6.431 -4.195 1.00 0.00 C ATOM 622 CD1 PHE A 49 -0.785 -7.449 -4.987 1.00 0.00 C ATOM 623 CD2 PHE A 49 -2.316 -6.771 -3.281 1.00 0.00 C ATOM 624 CE1 PHE A 49 -1.228 -8.753 -4.866 1.00 0.00 C ATOM 625 CE2 PHE A 49 -2.756 -8.075 -3.164 1.00 0.00 C ATOM 626 CZ PHE A 49 -2.213 -9.067 -3.954 1.00 0.00 C ATOM 0 H PHE A 49 1.886 -3.277 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 49 0.091 -4.731 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.647 -4.311 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.606 -4.788 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.013 -7.214 -5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.749 -6.005 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.802 -9.527 -5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.529 -8.319 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.558 -10.086 -3.858 1.00 0.00 H new ATOM 636 N THR A 50 2.252 -6.135 -2.882 1.00 0.00 N ATOM 637 CA THR A 50 3.515 -6.815 -3.128 1.00 0.00 C ATOM 638 C THR A 50 3.398 -8.283 -2.729 1.00 0.00 C ATOM 639 O THR A 50 2.704 -8.642 -1.763 1.00 0.00 O ATOM 640 CB THR A 50 4.695 -6.151 -2.360 1.00 0.00 C ATOM 641 OG1 THR A 50 4.555 -4.729 -2.401 1.00 0.00 O ATOM 642 CG2 THR A 50 6.067 -6.537 -2.955 1.00 0.00 C ATOM 0 H THR A 50 1.917 -6.200 -1.921 1.00 0.00 H new ATOM 0 HA THR A 50 3.730 -6.736 -4.194 1.00 0.00 H new ATOM 0 HB THR A 50 4.658 -6.512 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.420 -4.310 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.860 -6.050 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.195 -7.618 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.116 -6.215 -3.995 1.00 0.00 H new ATOM 650 N CYS A 51 4.083 -9.099 -3.498 1.00 0.00 N ATOM 651 CA CYS A 51 4.078 -10.547 -3.365 1.00 0.00 C ATOM 652 C CYS A 51 5.441 -11.132 -3.756 1.00 0.00 C ATOM 653 O CYS A 51 6.329 -10.430 -4.260 1.00 0.00 O ATOM 654 CB CYS A 51 2.957 -11.125 -4.258 1.00 0.00 C ATOM 655 SG CYS A 51 1.298 -10.544 -3.840 1.00 0.00 S ATOM 0 H CYS A 51 4.678 -8.768 -4.257 1.00 0.00 H new ATOM 0 HA CYS A 51 3.891 -10.817 -2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.168 -10.869 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.977 -12.213 -4.187 1.00 0.00 H new ATOM 0 HG CYS A 51 0.913 -9.665 -4.716 1.00 0.00 H new ATOM 661 N ARG A 52 5.582 -12.427 -3.488 1.00 0.00 N ATOM 662 CA ARG A 52 6.704 -13.258 -3.950 1.00 0.00 C ATOM 663 C ARG A 52 6.157 -14.368 -4.872 1.00 0.00 C ATOM 664 O ARG A 52 6.924 -15.116 -5.484 1.00 0.00 O ATOM 665 CB ARG A 52 7.521 -13.848 -2.754 1.00 0.00 C ATOM 666 CG ARG A 52 6.743 -14.737 -1.742 1.00 0.00 C ATOM 667 CD ARG A 52 5.791 -13.948 -0.816 1.00 0.00 C ATOM 668 NE ARG A 52 6.467 -12.817 -0.160 1.00 0.00 N ATOM 669 CZ ARG A 52 5.876 -11.720 0.346 1.00 0.00 C ATOM 670 NH1 ARG A 52 4.553 -11.578 0.317 1.00 0.00 N ATOM 671 NH2 ARG A 52 6.627 -10.765 0.866 1.00 0.00 N ATOM 0 H ARG A 52 4.905 -12.947 -2.930 1.00 0.00 H new ATOM 0 HA ARG A 52 7.400 -12.636 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.342 -14.437 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.966 -13.018 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.165 -15.478 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.459 -15.284 -1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.946 -13.577 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.387 -14.618 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 52 7.483 -12.870 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.971 -12.308 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.121 -10.739 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.642 -10.865 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.192 -9.928 1.253 1.00 0.00 H new ATOM 685 N GLN A 53 4.812 -14.459 -4.949 1.00 0.00 N ATOM 686 CA GLN A 53 4.094 -15.280 -5.928 1.00 0.00 C ATOM 687 C GLN A 53 3.557 -14.343 -7.025 1.00 0.00 C ATOM 688 O GLN A 53 2.687 -13.512 -6.749 1.00 0.00 O ATOM 689 CB GLN A 53 2.920 -16.054 -5.247 1.00 0.00 C ATOM 690 CG GLN A 53 3.335 -16.996 -4.103 1.00 0.00 C ATOM 691 CD GLN A 53 4.331 -18.069 -4.534 1.00 0.00 C ATOM 692 OE1 GLN A 53 5.546 -17.887 -4.447 1.00 0.00 O ATOM 693 NE2 GLN A 53 3.823 -19.188 -5.020 1.00 0.00 N ATOM 0 H GLN A 53 4.191 -13.952 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 53 4.766 -16.022 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.205 -15.329 -4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.401 -16.638 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.773 -16.407 -3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.445 -17.478 -3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.811 -19.306 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.442 -19.934 -5.337 1.00 0.00 H new ATOM 702 N LYS A 54 4.116 -14.464 -8.249 1.00 0.00 N ATOM 703 CA LYS A 54 3.724 -13.640 -9.413 1.00 0.00 C ATOM 704 C LYS A 54 2.227 -13.798 -9.730 1.00 0.00 C ATOM 705 O LYS A 54 1.581 -12.837 -10.148 1.00 0.00 O ATOM 706 CB LYS A 54 4.586 -13.988 -10.656 1.00 0.00 C ATOM 707 CG LYS A 54 4.505 -15.468 -11.120 1.00 0.00 C ATOM 708 CD LYS A 54 5.241 -15.717 -12.455 1.00 0.00 C ATOM 709 CE LYS A 54 4.601 -14.949 -13.623 1.00 0.00 C ATOM 710 NZ LYS A 54 5.393 -15.082 -14.866 1.00 0.00 N ATOM 0 H LYS A 54 4.853 -15.137 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 54 3.904 -12.597 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.279 -13.347 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.626 -13.749 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.932 -16.110 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.459 -15.753 -11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.284 -15.418 -12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.235 -16.784 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.591 -15.322 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.511 -13.895 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.930 -14.551 -15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.349 -14.703 -14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.457 -16.086 -15.131 1.00 0.00 H new ATOM 724 N ALA A 55 1.709 -15.020 -9.492 1.00 0.00 N ATOM 725 CA ALA A 55 0.286 -15.370 -9.664 1.00 0.00 C ATOM 726 C ALA A 55 -0.648 -14.436 -8.873 1.00 0.00 C ATOM 727 O ALA A 55 -1.663 -13.988 -9.404 1.00 0.00 O ATOM 728 CB ALA A 55 0.043 -16.836 -9.262 1.00 0.00 C ATOM 0 H ALA A 55 2.277 -15.803 -9.170 1.00 0.00 H new ATOM 0 HA ALA A 55 0.049 -15.242 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.011 -17.080 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.648 -17.490 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.320 -16.977 -8.217 1.00 0.00 H new ATOM 734 N SER A 56 -0.256 -14.133 -7.623 1.00 0.00 N ATOM 735 CA SER A 56 -1.044 -13.294 -6.688 1.00 0.00 C ATOM 736 C SER A 56 -1.393 -11.906 -7.288 1.00 0.00 C ATOM 737 O SER A 56 -2.568 -11.513 -7.319 1.00 0.00 O ATOM 738 CB SER A 56 -0.277 -13.133 -5.362 1.00 0.00 C ATOM 739 OG SER A 56 -1.056 -12.467 -4.379 1.00 0.00 O ATOM 0 H SER A 56 0.623 -14.464 -7.225 1.00 0.00 H new ATOM 0 HA SER A 56 -1.990 -13.803 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.015 -14.115 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.641 -12.573 -5.539 1.00 0.00 H new ATOM 0 HG SER A 56 -0.564 -11.688 -4.044 1.00 0.00 H new ATOM 745 N LEU A 57 -0.369 -11.169 -7.756 1.00 0.00 N ATOM 746 CA LEU A 57 -0.553 -9.865 -8.416 1.00 0.00 C ATOM 747 C LEU A 57 -1.077 -10.029 -9.866 1.00 0.00 C ATOM 748 O LEU A 57 -1.719 -9.117 -10.391 1.00 0.00 O ATOM 749 CB LEU A 57 0.720 -8.955 -8.351 1.00 0.00 C ATOM 750 CG LEU A 57 2.067 -9.513 -8.933 1.00 0.00 C ATOM 751 CD1 LEU A 57 3.002 -8.364 -9.372 1.00 0.00 C ATOM 752 CD2 LEU A 57 2.802 -10.416 -7.917 1.00 0.00 C ATOM 0 H LEU A 57 0.606 -11.460 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.320 -9.341 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.492 -8.027 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.891 -8.698 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 57 1.806 -10.115 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.927 -8.780 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.510 -7.769 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.229 -7.732 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.729 -10.781 -8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.030 -9.842 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.166 -11.262 -7.656 1.00 0.00 H new ATOM 764 N ASN A 58 -0.765 -11.174 -10.509 1.00 0.00 N ATOM 765 CA ASN A 58 -1.235 -11.507 -11.882 1.00 0.00 C ATOM 766 C ASN A 58 -2.768 -11.445 -12.031 1.00 0.00 C ATOM 767 O ASN A 58 -3.271 -10.918 -13.029 1.00 0.00 O ATOM 768 CB ASN A 58 -0.724 -12.912 -12.303 1.00 0.00 C ATOM 769 CG ASN A 58 -0.892 -13.236 -13.792 1.00 0.00 C ATOM 770 OD1 ASN A 58 -0.730 -12.372 -14.645 1.00 0.00 O ATOM 771 ND2 ASN A 58 -1.219 -14.487 -14.113 1.00 0.00 N ATOM 0 H ASN A 58 -0.179 -11.899 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.819 -10.745 -12.541 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.332 -12.992 -12.045 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.253 -13.666 -11.719 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.341 -14.747 -15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.347 -15.185 -13.380 1.00 0.00 H new ATOM 778 N TRP A 59 -3.517 -12.006 -11.068 1.00 0.00 N ATOM 779 CA TRP A 59 -4.997 -11.941 -11.092 1.00 0.00 C ATOM 780 C TRP A 59 -5.484 -10.596 -10.516 1.00 0.00 C ATOM 781 O TRP A 59 -6.485 -10.048 -10.961 1.00 0.00 O ATOM 782 CB TRP A 59 -5.660 -13.161 -10.380 1.00 0.00 C ATOM 783 CG TRP A 59 -5.389 -13.296 -8.894 1.00 0.00 C ATOM 784 CD1 TRP A 59 -4.405 -14.027 -8.301 1.00 0.00 C ATOM 785 CD2 TRP A 59 -6.137 -12.700 -7.819 1.00 0.00 C ATOM 786 NE1 TRP A 59 -4.471 -13.899 -6.939 1.00 0.00 N ATOM 787 CE2 TRP A 59 -5.526 -13.090 -6.618 1.00 0.00 C ATOM 788 CE3 TRP A 59 -7.254 -11.862 -7.764 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -5.989 -12.677 -5.375 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -7.717 -11.449 -6.531 1.00 0.00 C ATOM 791 CH2 TRP A 59 -7.085 -11.856 -5.349 1.00 0.00 C ATOM 0 H TRP A 59 -3.131 -12.507 -10.267 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.315 -11.998 -12.133 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.738 -13.100 -10.528 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.322 -14.072 -10.874 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.676 -14.623 -8.830 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.836 -14.337 -6.272 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.747 -11.543 -8.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.503 -12.992 -4.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.580 -10.802 -6.477 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -7.469 -11.516 -4.399 1.00 0.00 H new ATOM 802 N HIS A 60 -4.818 -10.133 -9.444 1.00 0.00 N ATOM 803 CA HIS A 60 -5.030 -8.786 -8.870 1.00 0.00 C ATOM 804 C HIS A 60 -5.029 -7.611 -9.908 1.00 0.00 C ATOM 805 O HIS A 60 -5.775 -6.640 -9.717 1.00 0.00 O ATOM 806 CB HIS A 60 -3.990 -8.581 -7.740 1.00 0.00 C ATOM 807 CG HIS A 60 -3.898 -7.198 -7.190 1.00 0.00 C ATOM 808 ND1 HIS A 60 -4.802 -6.617 -6.341 1.00 0.00 N ATOM 809 CD2 HIS A 60 -2.982 -6.265 -7.448 1.00 0.00 C ATOM 810 CE1 HIS A 60 -4.406 -5.360 -6.135 1.00 0.00 C ATOM 811 NE2 HIS A 60 -3.301 -5.089 -6.799 1.00 0.00 N ATOM 0 H HIS A 60 -4.115 -10.681 -8.948 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.044 -8.750 -8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.229 -9.262 -6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.009 -8.868 -8.118 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.627 -7.063 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.114 -6.408 -8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.925 -4.654 -5.504 1.00 0.00 H new ATOM 819 N MET A 61 -4.204 -7.676 -10.975 1.00 0.00 N ATOM 820 CA MET A 61 -4.244 -6.644 -12.051 1.00 0.00 C ATOM 821 C MET A 61 -5.544 -6.758 -12.882 1.00 0.00 C ATOM 822 O MET A 61 -6.122 -5.746 -13.281 1.00 0.00 O ATOM 823 CB MET A 61 -2.988 -6.708 -12.960 1.00 0.00 C ATOM 824 CG MET A 61 -2.894 -7.913 -13.893 1.00 0.00 C ATOM 825 SD MET A 61 -1.357 -7.937 -14.836 1.00 0.00 S ATOM 826 CE MET A 61 -0.138 -8.233 -13.553 1.00 0.00 C ATOM 0 H MET A 61 -3.514 -8.413 -11.120 1.00 0.00 H new ATOM 0 HA MET A 61 -4.239 -5.668 -11.565 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.956 -5.802 -13.565 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.103 -6.697 -12.324 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.972 -8.829 -13.307 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.739 -7.902 -14.582 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.482 -7.345 -13.429 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.645 -8.456 -12.614 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.490 -9.078 -13.836 1.00 0.00 H new ATOM 836 N LYS A 62 -5.993 -8.006 -13.121 1.00 0.00 N ATOM 837 CA LYS A 62 -7.301 -8.307 -13.749 1.00 0.00 C ATOM 838 C LYS A 62 -8.449 -7.671 -12.946 1.00 0.00 C ATOM 839 O LYS A 62 -9.430 -7.201 -13.519 1.00 0.00 O ATOM 840 CB LYS A 62 -7.500 -9.842 -13.809 1.00 0.00 C ATOM 841 CG LYS A 62 -8.831 -10.335 -14.409 1.00 0.00 C ATOM 842 CD LYS A 62 -9.074 -11.848 -14.150 1.00 0.00 C ATOM 843 CE LYS A 62 -7.900 -12.737 -14.601 1.00 0.00 C ATOM 844 NZ LYS A 62 -7.594 -12.562 -16.045 1.00 0.00 N ATOM 0 H LYS A 62 -5.457 -8.841 -12.883 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.310 -7.891 -14.756 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.683 -10.270 -14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.413 -10.238 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.653 -9.760 -13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.834 -10.148 -15.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.251 -12.004 -13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.978 -12.159 -14.673 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.016 -12.497 -14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.140 -13.782 -14.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.832 -13.214 -16.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.445 -12.766 -16.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.291 -11.583 -16.219 1.00 0.00 H new ATOM 858 N LYS A 63 -8.292 -7.680 -11.613 1.00 0.00 N ATOM 859 CA LYS A 63 -9.243 -7.051 -10.684 1.00 0.00 C ATOM 860 C LYS A 63 -9.354 -5.535 -10.925 1.00 0.00 C ATOM 861 O LYS A 63 -10.425 -4.972 -10.746 1.00 0.00 O ATOM 862 CB LYS A 63 -8.883 -7.330 -9.209 1.00 0.00 C ATOM 863 CG LYS A 63 -8.840 -8.819 -8.821 1.00 0.00 C ATOM 864 CD LYS A 63 -10.144 -9.599 -9.138 1.00 0.00 C ATOM 865 CE LYS A 63 -11.404 -8.995 -8.490 1.00 0.00 C ATOM 866 NZ LYS A 63 -11.280 -8.854 -7.017 1.00 0.00 N ATOM 0 H LYS A 63 -7.500 -8.125 -11.148 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.214 -7.504 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.910 -6.887 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.609 -6.825 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.010 -9.295 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.633 -8.899 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.283 -9.632 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.031 -10.629 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.600 -8.017 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.263 -9.625 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.173 -8.491 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.070 -9.781 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.510 -8.191 -6.795 1.00 0.00 H new ATOM 880 N HIS A 64 -8.249 -4.898 -11.375 1.00 0.00 N ATOM 881 CA HIS A 64 -8.225 -3.450 -11.725 1.00 0.00 C ATOM 882 C HIS A 64 -8.951 -3.173 -13.058 1.00 0.00 C ATOM 883 O HIS A 64 -9.206 -2.015 -13.398 1.00 0.00 O ATOM 884 CB HIS A 64 -6.768 -2.915 -11.843 1.00 0.00 C ATOM 885 CG HIS A 64 -6.018 -2.716 -10.559 1.00 0.00 C ATOM 886 ND1 HIS A 64 -6.191 -1.616 -9.746 1.00 0.00 N ATOM 887 CD2 HIS A 64 -4.977 -3.407 -10.032 1.00 0.00 C ATOM 888 CE1 HIS A 64 -5.262 -1.657 -8.794 1.00 0.00 C ATOM 889 NE2 HIS A 64 -4.499 -2.716 -8.926 1.00 0.00 N ATOM 0 H HIS A 64 -7.352 -5.365 -11.507 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.741 -2.935 -10.915 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.201 -3.607 -12.465 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.797 -1.962 -12.371 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.906 -0.897 -9.855 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.585 -4.340 -10.410 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.151 -0.916 -8.016 1.00 0.00 H new ATOM 1020 N SER A 73 -21.347 -0.919 -12.111 1.00 0.00 N ATOM 1021 CA SER A 73 -20.963 0.459 -12.385 1.00 0.00 C ATOM 1022 C SER A 73 -22.141 1.263 -12.896 1.00 0.00 C ATOM 1023 O SER A 73 -23.184 0.718 -13.286 1.00 0.00 O ATOM 1024 CB SER A 73 -19.845 0.502 -13.438 1.00 0.00 C ATOM 1025 OG SER A 73 -20.282 -0.043 -14.667 1.00 0.00 O ATOM 0 HA SER A 73 -20.611 0.893 -11.449 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.522 1.532 -13.588 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.980 -0.054 -13.077 1.00 0.00 H new ATOM 0 HG SER A 73 -20.964 -0.726 -14.498 1.00 0.00 H new ATOM 1031 N CYS A 74 -21.939 2.572 -12.884 1.00 0.00 N ATOM 1032 CA CYS A 74 -22.715 3.495 -13.696 1.00 0.00 C ATOM 1033 C CYS A 74 -21.916 3.689 -14.978 1.00 0.00 C ATOM 1034 O CYS A 74 -20.800 4.165 -14.910 1.00 0.00 O ATOM 1035 CB CYS A 74 -22.919 4.826 -12.957 1.00 0.00 C ATOM 1036 SG CYS A 74 -23.626 6.153 -13.982 1.00 0.00 S ATOM 0 H CYS A 74 -21.229 3.025 -12.308 1.00 0.00 H new ATOM 0 HA CYS A 74 -23.712 3.108 -13.909 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -23.573 4.656 -12.102 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -21.959 5.160 -12.563 1.00 0.00 H new ATOM 0 HG CYS A 74 -24.131 7.072 -13.214 1.00 0.00 H new ATOM 1041 N ASN A 75 -22.466 3.302 -16.133 1.00 0.00 N ATOM 1042 CA ASN A 75 -21.720 3.339 -17.416 1.00 0.00 C ATOM 1043 C ASN A 75 -21.409 4.780 -17.871 1.00 0.00 C ATOM 1044 O ASN A 75 -20.645 4.983 -18.816 1.00 0.00 O ATOM 1045 CB ASN A 75 -22.507 2.592 -18.515 1.00 0.00 C ATOM 1046 CG ASN A 75 -22.777 1.143 -18.142 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -23.822 0.812 -17.579 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -21.823 0.277 -18.411 1.00 0.00 N ATOM 0 H ASN A 75 -23.423 2.959 -16.216 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.766 2.838 -17.249 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -23.454 3.102 -18.693 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -21.946 2.627 -19.449 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -21.936 -0.703 -18.152 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -20.971 0.586 -18.878 1.00 0.00 H new ATOM 1055 N ILE A 76 -22.004 5.775 -17.182 1.00 0.00 N ATOM 1056 CA ILE A 76 -21.863 7.194 -17.535 1.00 0.00 C ATOM 1057 C ILE A 76 -20.764 7.890 -16.699 1.00 0.00 C ATOM 1058 O ILE A 76 -20.051 8.740 -17.227 1.00 0.00 O ATOM 1059 CB ILE A 76 -23.238 7.959 -17.377 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -24.419 7.045 -17.866 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -23.225 9.324 -18.123 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -25.764 7.713 -18.005 1.00 0.00 C ATOM 0 H ILE A 76 -22.595 5.613 -16.366 1.00 0.00 H new ATOM 0 HA ILE A 76 -21.560 7.232 -18.581 1.00 0.00 H new ATOM 0 HB ILE A 76 -23.388 8.182 -16.321 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.146 6.620 -18.832 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -24.520 6.213 -17.169 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -24.187 9.820 -17.991 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -22.433 9.953 -17.716 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.046 9.157 -19.185 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -26.498 6.984 -18.348 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -26.073 8.113 -17.039 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -25.694 8.526 -18.728 1.00 0.00 H new ATOM 1074 N CYS A 77 -20.617 7.545 -15.393 1.00 0.00 N ATOM 1075 CA CYS A 77 -19.620 8.228 -14.517 1.00 0.00 C ATOM 1076 C CYS A 77 -18.884 7.264 -13.567 1.00 0.00 C ATOM 1077 O CYS A 77 -18.151 7.717 -12.687 1.00 0.00 O ATOM 1078 CB CYS A 77 -20.305 9.360 -13.721 1.00 0.00 C ATOM 1079 SG CYS A 77 -21.407 8.809 -12.378 1.00 0.00 S ATOM 0 H CYS A 77 -21.160 6.817 -14.929 1.00 0.00 H new ATOM 0 HA CYS A 77 -18.858 8.649 -15.173 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -19.533 10.001 -13.296 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -20.882 9.972 -14.414 1.00 0.00 H new ATOM 0 HG CYS A 77 -22.228 7.909 -12.832 1.00 0.00 H new ATOM 1084 N GLY A 78 -19.083 5.949 -13.763 1.00 0.00 N ATOM 1085 CA GLY A 78 -18.354 4.894 -13.045 1.00 0.00 C ATOM 1086 C GLY A 78 -18.405 4.999 -11.531 1.00 0.00 C ATOM 1087 O GLY A 78 -17.373 4.880 -10.867 1.00 0.00 O ATOM 0 H GLY A 78 -19.762 5.587 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.759 3.926 -13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.311 4.913 -13.361 1.00 0.00 H new ATOM 1091 N LYS A 79 -19.598 5.307 -10.993 1.00 0.00 N ATOM 1092 CA LYS A 79 -19.804 5.426 -9.546 1.00 0.00 C ATOM 1093 C LYS A 79 -19.643 4.080 -8.794 1.00 0.00 C ATOM 1094 O LYS A 79 -19.074 4.080 -7.707 1.00 0.00 O ATOM 1095 CB LYS A 79 -21.194 6.071 -9.298 1.00 0.00 C ATOM 1096 CG LYS A 79 -21.369 6.774 -7.927 1.00 0.00 C ATOM 1097 CD LYS A 79 -21.629 5.815 -6.736 1.00 0.00 C ATOM 1098 CE LYS A 79 -21.607 6.521 -5.370 1.00 0.00 C ATOM 1099 NZ LYS A 79 -20.253 7.026 -5.029 1.00 0.00 N ATOM 0 H LYS A 79 -20.437 5.478 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 79 -19.023 6.066 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.383 6.799 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.956 5.297 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.473 7.358 -7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -22.199 7.477 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -22.597 5.332 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.876 5.027 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -22.312 7.352 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -21.941 5.828 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -20.240 7.342 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -19.556 6.265 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -20.014 7.825 -5.650 1.00 0.00 H new ATOM 1113 N LYS A 80 -20.136 2.959 -9.384 1.00 0.00 N ATOM 1114 CA LYS A 80 -20.180 1.613 -8.736 1.00 0.00 C ATOM 1115 C LYS A 80 -21.243 1.603 -7.624 1.00 0.00 C ATOM 1116 O LYS A 80 -21.150 2.349 -6.646 1.00 0.00 O ATOM 1117 CB LYS A 80 -18.813 1.097 -8.141 1.00 0.00 C ATOM 1118 CG LYS A 80 -17.710 0.704 -9.152 1.00 0.00 C ATOM 1119 CD LYS A 80 -17.153 1.902 -9.937 1.00 0.00 C ATOM 1120 CE LYS A 80 -15.873 1.572 -10.707 1.00 0.00 C ATOM 1121 NZ LYS A 80 -15.269 2.774 -11.333 1.00 0.00 N ATOM 0 H LYS A 80 -20.518 2.960 -10.330 1.00 0.00 H new ATOM 0 HA LYS A 80 -20.429 0.925 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.413 1.873 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -19.022 0.230 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.894 0.217 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -18.113 -0.026 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.911 2.254 -10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.953 2.721 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.151 1.116 -10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.095 0.835 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.099 2.591 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.917 3.581 -11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.367 2.993 -10.864 1.00 0.00 H new ATOM 1135 N PHE A 81 -22.253 0.750 -7.798 1.00 0.00 N ATOM 1136 CA PHE A 81 -23.335 0.549 -6.814 1.00 0.00 C ATOM 1137 C PHE A 81 -23.430 -0.928 -6.430 1.00 0.00 C ATOM 1138 O PHE A 81 -22.763 -1.781 -7.023 1.00 0.00 O ATOM 1139 CB PHE A 81 -24.685 1.031 -7.394 1.00 0.00 C ATOM 1140 CG PHE A 81 -24.765 2.539 -7.615 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -24.251 3.125 -8.770 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -25.375 3.365 -6.674 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -24.337 4.481 -8.968 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -25.459 4.724 -6.876 1.00 0.00 C ATOM 1145 CZ PHE A 81 -24.949 5.279 -8.024 1.00 0.00 C ATOM 0 H PHE A 81 -22.350 0.170 -8.632 1.00 0.00 H new ATOM 0 HA PHE A 81 -23.107 1.133 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -24.862 0.526 -8.343 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -25.486 0.730 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -23.779 2.505 -9.518 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -25.788 2.934 -5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -23.925 4.923 -9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -25.926 5.353 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 81 -25.027 6.344 -8.188 1.00 0.00 H new ATOM 1155 N GLU A 82 -24.242 -1.208 -5.401 1.00 0.00 N ATOM 1156 CA GLU A 82 -24.561 -2.576 -4.977 1.00 0.00 C ATOM 1157 C GLU A 82 -25.336 -3.339 -6.074 1.00 0.00 C ATOM 1158 O GLU A 82 -25.054 -4.502 -6.344 1.00 0.00 O ATOM 1159 CB GLU A 82 -25.355 -2.548 -3.640 1.00 0.00 C ATOM 1160 CG GLU A 82 -26.669 -1.729 -3.675 1.00 0.00 C ATOM 1161 CD GLU A 82 -27.480 -1.813 -2.371 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -27.906 -2.928 -2.008 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -27.714 -0.768 -1.719 1.00 0.00 O ATOM 0 H GLU A 82 -24.697 -0.489 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.627 -3.113 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -25.591 -3.573 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -24.711 -2.140 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -26.432 -0.685 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -27.286 -2.083 -4.501 1.00 0.00 H new ATOM 1170 N LYS A 83 -26.286 -2.651 -6.720 1.00 0.00 N ATOM 1171 CA LYS A 83 -27.148 -3.239 -7.740 1.00 0.00 C ATOM 1172 C LYS A 83 -27.391 -2.221 -8.853 1.00 0.00 C ATOM 1173 O LYS A 83 -27.266 -1.007 -8.647 1.00 0.00 O ATOM 1174 CB LYS A 83 -28.486 -3.699 -7.099 1.00 0.00 C ATOM 1175 CG LYS A 83 -29.298 -2.571 -6.402 1.00 0.00 C ATOM 1176 CD LYS A 83 -30.545 -3.087 -5.643 1.00 0.00 C ATOM 1177 CE LYS A 83 -30.190 -4.029 -4.482 1.00 0.00 C ATOM 1178 NZ LYS A 83 -31.392 -4.523 -3.768 1.00 0.00 N ATOM 0 H LYS A 83 -26.475 -1.664 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 83 -26.662 -4.113 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -29.107 -4.149 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -28.273 -4.479 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -28.648 -2.046 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -29.613 -1.845 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -31.106 -2.237 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -31.199 -3.609 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -29.624 -4.878 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -29.542 -3.506 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -31.101 -5.154 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -31.920 -3.716 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -31.999 -5.045 -4.431 1.00 0.00 H new ATOM 1192 N LYS A 84 -27.747 -2.735 -10.026 1.00 0.00 N ATOM 1193 CA LYS A 84 -28.038 -1.921 -11.209 1.00 0.00 C ATOM 1194 C LYS A 84 -29.319 -1.091 -11.025 1.00 0.00 C ATOM 1195 O LYS A 84 -29.500 -0.080 -11.698 1.00 0.00 O ATOM 1196 CB LYS A 84 -28.128 -2.816 -12.464 1.00 0.00 C ATOM 1197 CG LYS A 84 -26.833 -3.594 -12.793 1.00 0.00 C ATOM 1198 CD LYS A 84 -25.601 -2.668 -12.912 1.00 0.00 C ATOM 1199 CE LYS A 84 -24.326 -3.433 -13.277 1.00 0.00 C ATOM 1200 NZ LYS A 84 -24.437 -4.088 -14.606 1.00 0.00 N ATOM 0 H LYS A 84 -27.844 -3.738 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 84 -27.218 -1.216 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -28.941 -3.530 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -28.390 -2.194 -13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -26.652 -4.337 -12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -26.967 -4.137 -13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -25.794 -1.908 -13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -25.450 -2.146 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.479 -2.747 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.124 -4.187 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -23.506 -4.451 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -25.113 -4.876 -14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.770 -3.396 -15.307 1.00 0.00 H new ATOM 1214 N ASP A 85 -30.201 -1.524 -10.105 1.00 0.00 N ATOM 1215 CA ASP A 85 -31.375 -0.732 -9.700 1.00 0.00 C ATOM 1216 C ASP A 85 -30.944 0.614 -9.107 1.00 0.00 C ATOM 1217 O ASP A 85 -31.506 1.651 -9.453 1.00 0.00 O ATOM 1218 CB ASP A 85 -32.251 -1.504 -8.686 1.00 0.00 C ATOM 1219 CG ASP A 85 -32.829 -2.806 -9.261 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -33.532 -2.743 -10.295 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -32.593 -3.887 -8.686 1.00 0.00 O ATOM 0 H ASP A 85 -30.121 -2.422 -9.627 1.00 0.00 H new ATOM 0 HA ASP A 85 -31.971 -0.547 -10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -31.656 -1.736 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -33.070 -0.863 -8.359 1.00 0.00 H new ATOM 1226 N SER A 86 -29.913 0.587 -8.240 1.00 0.00 N ATOM 1227 CA SER A 86 -29.340 1.796 -7.635 1.00 0.00 C ATOM 1228 C SER A 86 -28.656 2.694 -8.700 1.00 0.00 C ATOM 1229 O SER A 86 -28.620 3.920 -8.558 1.00 0.00 O ATOM 1230 CB SER A 86 -28.354 1.395 -6.522 1.00 0.00 C ATOM 1231 OG SER A 86 -28.982 0.571 -5.554 1.00 0.00 O ATOM 0 H SER A 86 -29.457 -0.275 -7.942 1.00 0.00 H new ATOM 0 HA SER A 86 -30.146 2.385 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 86 -27.505 0.867 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 86 -27.960 2.290 -6.041 1.00 0.00 H new ATOM 0 HG SER A 86 -28.334 0.329 -4.860 1.00 0.00 H new ATOM 1237 N VAL A 87 -28.146 2.054 -9.768 1.00 0.00 N ATOM 1238 CA VAL A 87 -27.438 2.729 -10.876 1.00 0.00 C ATOM 1239 C VAL A 87 -28.424 3.532 -11.723 1.00 0.00 C ATOM 1240 O VAL A 87 -28.188 4.700 -12.023 1.00 0.00 O ATOM 1241 CB VAL A 87 -26.703 1.675 -11.809 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -26.131 2.322 -13.094 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -25.601 0.902 -11.053 1.00 0.00 C ATOM 0 H VAL A 87 -28.213 1.043 -9.889 1.00 0.00 H new ATOM 0 HA VAL A 87 -26.696 3.396 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 87 -27.467 0.960 -12.113 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -25.639 1.559 -13.697 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -26.942 2.771 -13.668 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -25.409 3.092 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -25.125 0.192 -11.730 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -24.855 1.604 -10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -26.044 0.363 -10.215 1.00 0.00 H new ATOM 1253 N VAL A 88 -29.516 2.860 -12.096 1.00 0.00 N ATOM 1254 CA VAL A 88 -30.556 3.380 -12.999 1.00 0.00 C ATOM 1255 C VAL A 88 -31.418 4.414 -12.263 1.00 0.00 C ATOM 1256 O VAL A 88 -31.875 5.401 -12.856 1.00 0.00 O ATOM 1257 CB VAL A 88 -31.427 2.212 -13.585 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -32.592 2.729 -14.461 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -30.543 1.226 -14.391 1.00 0.00 C ATOM 0 H VAL A 88 -29.710 1.913 -11.771 1.00 0.00 H new ATOM 0 HA VAL A 88 -30.076 3.876 -13.843 1.00 0.00 H new ATOM 0 HB VAL A 88 -31.868 1.687 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -33.164 1.883 -14.842 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -33.243 3.366 -13.862 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -32.192 3.303 -15.297 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -31.164 0.423 -14.789 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -30.063 1.756 -15.214 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -29.780 0.804 -13.737 1.00 0.00 H new ATOM 1269 N ALA A 89 -31.591 4.181 -10.945 1.00 0.00 N ATOM 1270 CA ALA A 89 -32.271 5.132 -10.050 1.00 0.00 C ATOM 1271 C ALA A 89 -31.452 6.432 -9.951 1.00 0.00 C ATOM 1272 O ALA A 89 -32.004 7.539 -9.896 1.00 0.00 O ATOM 1273 CB ALA A 89 -32.489 4.519 -8.654 1.00 0.00 C ATOM 0 H ALA A 89 -31.265 3.335 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 89 -33.251 5.362 -10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -32.993 5.243 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -33.103 3.623 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -31.525 4.257 -8.217 1.00 0.00 H new ATOM 1279 N HIS A 90 -30.120 6.262 -9.931 1.00 0.00 N ATOM 1280 CA HIS A 90 -29.160 7.380 -9.960 1.00 0.00 C ATOM 1281 C HIS A 90 -29.082 8.017 -11.369 1.00 0.00 C ATOM 1282 O HIS A 90 -28.932 9.216 -11.488 1.00 0.00 O ATOM 1283 CB HIS A 90 -27.770 6.865 -9.459 1.00 0.00 C ATOM 1284 CG HIS A 90 -26.548 7.534 -10.036 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -25.922 8.621 -9.484 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -25.814 7.191 -11.121 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -24.848 8.899 -10.235 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -24.744 8.051 -11.242 1.00 0.00 N ATOM 0 H HIS A 90 -29.677 5.344 -9.894 1.00 0.00 H new ATOM 0 HA HIS A 90 -29.497 8.173 -9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -27.738 6.975 -8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -27.706 5.798 -9.673 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -26.220 9.128 -8.651 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -26.033 6.371 -11.788 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -24.159 9.708 -10.043 1.00 0.00 H new ATOM 1296 N LYS A 91 -29.208 7.186 -12.408 1.00 0.00 N ATOM 1297 CA LYS A 91 -28.946 7.561 -13.818 1.00 0.00 C ATOM 1298 C LYS A 91 -30.029 8.508 -14.351 1.00 0.00 C ATOM 1299 O LYS A 91 -29.726 9.530 -14.974 1.00 0.00 O ATOM 1300 CB LYS A 91 -28.879 6.282 -14.701 1.00 0.00 C ATOM 1301 CG LYS A 91 -28.759 6.558 -16.214 1.00 0.00 C ATOM 1302 CD LYS A 91 -28.777 5.275 -17.077 1.00 0.00 C ATOM 1303 CE LYS A 91 -28.799 5.590 -18.589 1.00 0.00 C ATOM 1304 NZ LYS A 91 -28.746 4.361 -19.420 1.00 0.00 N ATOM 0 H LYS A 91 -29.500 6.215 -12.300 1.00 0.00 H new ATOM 0 HA LYS A 91 -27.990 8.083 -13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -28.026 5.681 -14.385 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -29.773 5.685 -14.523 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -29.579 7.206 -16.523 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -27.834 7.102 -16.404 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -27.899 4.671 -16.846 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -29.652 4.678 -16.819 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -29.703 6.149 -18.828 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -27.953 6.231 -18.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -28.763 4.622 -20.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -27.871 3.839 -19.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -29.567 3.760 -19.204 1.00 0.00 H new ATOM 1318 N ALA A 92 -31.287 8.143 -14.087 1.00 0.00 N ATOM 1319 CA ALA A 92 -32.467 8.901 -14.528 1.00 0.00 C ATOM 1320 C ALA A 92 -32.517 10.301 -13.886 1.00 0.00 C ATOM 1321 O ALA A 92 -33.185 11.200 -14.394 1.00 0.00 O ATOM 1322 CB ALA A 92 -33.741 8.112 -14.205 1.00 0.00 C ATOM 0 H ALA A 92 -31.520 7.304 -13.555 1.00 0.00 H new ATOM 0 HA ALA A 92 -32.396 9.043 -15.606 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -34.613 8.678 -14.534 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -33.715 7.152 -14.721 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -33.802 7.944 -13.130 1.00 0.00 H new ATOM 1328 N LYS A 93 -31.800 10.464 -12.759 1.00 0.00 N ATOM 1329 CA LYS A 93 -31.763 11.731 -12.003 1.00 0.00 C ATOM 1330 C LYS A 93 -30.493 12.540 -12.341 1.00 0.00 C ATOM 1331 O LYS A 93 -30.567 13.733 -12.643 1.00 0.00 O ATOM 1332 CB LYS A 93 -31.833 11.432 -10.481 1.00 0.00 C ATOM 1333 CG LYS A 93 -33.153 10.763 -10.026 1.00 0.00 C ATOM 1334 CD LYS A 93 -34.384 11.681 -10.223 1.00 0.00 C ATOM 1335 CE LYS A 93 -35.700 11.052 -9.726 1.00 0.00 C ATOM 1336 NZ LYS A 93 -36.077 9.849 -10.510 1.00 0.00 N ATOM 0 H LYS A 93 -31.231 9.724 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 93 -32.625 12.334 -12.288 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -30.999 10.785 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -31.704 12.365 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -33.300 9.839 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -33.073 10.489 -8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -34.216 12.620 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -34.482 11.923 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -35.597 10.781 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -36.500 11.790 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -36.977 9.469 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -36.184 10.107 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -35.335 9.127 -10.416 1.00 0.00 H new ATOM 1350 N SER A 94 -29.341 11.860 -12.323 1.00 0.00 N ATOM 1351 CA SER A 94 -28.015 12.487 -12.408 1.00 0.00 C ATOM 1352 C SER A 94 -27.596 12.740 -13.867 1.00 0.00 C ATOM 1353 O SER A 94 -26.735 13.589 -14.134 1.00 0.00 O ATOM 1354 CB SER A 94 -26.975 11.599 -11.687 1.00 0.00 C ATOM 1355 OG SER A 94 -25.695 12.193 -11.646 1.00 0.00 O ATOM 0 H SER A 94 -29.302 10.844 -12.248 1.00 0.00 H new ATOM 0 HA SER A 94 -28.064 13.458 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 94 -27.313 11.401 -10.670 1.00 0.00 H new ATOM 0 HB3 SER A 94 -26.910 10.636 -12.194 1.00 0.00 H new ATOM 0 HG SER A 94 -25.114 11.678 -11.048 1.00 0.00 H new ATOM 1361 N HIS A 95 -28.227 12.019 -14.817 1.00 0.00 N ATOM 1362 CA HIS A 95 -27.874 12.095 -16.256 1.00 0.00 C ATOM 1363 C HIS A 95 -29.165 12.147 -17.126 1.00 0.00 C ATOM 1364 O HIS A 95 -29.467 11.186 -17.843 1.00 0.00 O ATOM 1365 CB HIS A 95 -26.976 10.890 -16.680 1.00 0.00 C ATOM 1366 CG HIS A 95 -25.826 10.583 -15.758 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -24.737 11.400 -15.566 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -25.615 9.491 -14.974 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -23.917 10.793 -14.691 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -24.410 9.631 -14.305 1.00 0.00 N ATOM 0 H HIS A 95 -28.989 11.372 -14.614 1.00 0.00 H new ATOM 0 HA HIS A 95 -27.304 13.010 -16.418 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -27.603 10.002 -16.759 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -26.578 11.088 -17.675 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -24.579 12.305 -16.009 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -26.283 8.647 -14.887 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -22.978 11.202 -14.349 1.00 0.00 H new