USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 944 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 3 THR OG1 : rot 19:sc= 0.355 USER MOD Set 1.2: A 96 THR OG1 : rot 85:sc= 1.01 USER MOD Set 2.1: A 41 GLN : amide:sc= -13.6! C(o=-40!,f=-35!) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -3.11! C(o=-40!,f=-35!) USER MOD Set 2.3: A 50 GLN : amide:sc= -10.8! C(o=-40!,f=-35!) USER MOD Set 2.4: A 51 GLN : amide:sc= -12.7! C(o=-40!,f=-37!) USER MOD Set 3.1: A 31 TYR OH : rot 76:sc= -2.23! USER MOD Set 3.2: A 94 THR OG1 : rot -75:sc= -1.6! USER MOD Set 4.1: A 15 ASN : amide:sc= -9.56! C(o=-20!,f=-14!) USER MOD Set 4.2: A 107 ASN : amide:sc= -10.9! C(o=-20!,f=-14!) USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -0.0216 (180deg=-0.444) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -113:sc= -2.71! USER MOD Single : A 14 TYR OH : rot 79:sc= -0.317! USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.287 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.000472 USER MOD Single : A 45 TYR OH : rot 166:sc= 0.321 USER MOD Single : A 46 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.2) USER MOD Single : A 52 CYS SG : rot -57:sc= 0.422 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 77:sc= -1.78 USER MOD Single : A 74 SER OG : rot -52:sc= 0.12 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -140:sc= -0.388 USER MOD Single : A 90 GLN : amide:sc= -6.13! C(o=-6.1!,f=-8.4!) USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 0.613 (180deg=0.161) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -5.52! C(o=-5.5!,f=-16!) USER MOD Single : A 110 LYS NZ :NH3+ -120:sc= 0.422 (180deg=-1.29) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= -1.24 (180deg=-1.33) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 136:sc= -0.0965 (180deg=-0.748) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -9.360 -17.290 4.787 1.00 0.00 N ATOM 31 CA THR A 3 -8.425 -16.134 4.685 1.00 0.00 C ATOM 32 C THR A 3 -8.591 -15.234 5.911 1.00 0.00 C ATOM 33 O THR A 3 -9.668 -15.113 6.461 1.00 0.00 O ATOM 34 CB THR A 3 -8.735 -15.334 3.418 1.00 0.00 C ATOM 35 OG1 THR A 3 -8.916 -16.228 2.329 1.00 0.00 O ATOM 36 CG2 THR A 3 -7.576 -14.385 3.114 1.00 0.00 C ATOM 0 HA THR A 3 -7.399 -16.501 4.639 1.00 0.00 H new ATOM 0 HB THR A 3 -9.645 -14.754 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.101 -17.127 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.799 -13.816 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.438 -13.699 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.663 -14.962 2.963 1.00 0.00 H new ATOM 44 N LYS A 4 -7.530 -14.603 6.342 1.00 0.00 N ATOM 45 CA LYS A 4 -7.619 -13.709 7.532 1.00 0.00 C ATOM 46 C LYS A 4 -7.131 -12.308 7.157 1.00 0.00 C ATOM 47 O LYS A 4 -6.063 -12.142 6.600 1.00 0.00 O ATOM 48 CB LYS A 4 -6.745 -14.268 8.657 1.00 0.00 C ATOM 49 CG LYS A 4 -7.472 -15.426 9.343 1.00 0.00 C ATOM 50 CD LYS A 4 -6.696 -15.847 10.592 1.00 0.00 C ATOM 51 CE LYS A 4 -7.594 -16.703 11.488 1.00 0.00 C ATOM 52 NZ LYS A 4 -8.175 -17.818 10.688 1.00 0.00 N ATOM 0 H LYS A 4 -6.604 -14.669 5.919 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.655 -13.655 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.792 -14.611 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.522 -13.485 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.484 -15.124 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.564 -16.269 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.806 -16.409 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.356 -14.966 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.018 -17.102 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.391 -16.092 11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.540 -18.551 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.951 -17.455 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.439 -18.227 10.077 1.00 0.00 H new ATOM 66 N ILE A 5 -7.906 -11.303 7.457 1.00 0.00 N ATOM 67 CA ILE A 5 -7.496 -9.910 7.119 1.00 0.00 C ATOM 68 C ILE A 5 -7.107 -9.170 8.404 1.00 0.00 C ATOM 69 O ILE A 5 -7.870 -9.097 9.345 1.00 0.00 O ATOM 70 CB ILE A 5 -8.670 -9.197 6.439 1.00 0.00 C ATOM 71 CG1 ILE A 5 -8.250 -7.789 6.001 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.843 -9.097 7.415 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.619 -7.855 4.609 1.00 0.00 C ATOM 0 H ILE A 5 -8.809 -11.386 7.924 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.640 -9.925 6.444 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.971 -9.769 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.116 -7.127 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.540 -7.371 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.677 -8.590 6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.152 -10.098 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.537 -8.532 8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.320 -6.854 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.743 -8.503 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.344 -8.255 3.900 1.00 0.00 H new ATOM 85 N ASP A 6 -5.923 -8.616 8.447 1.00 0.00 N ATOM 86 CA ASP A 6 -5.491 -7.880 9.667 1.00 0.00 C ATOM 87 C ASP A 6 -5.723 -6.381 9.462 1.00 0.00 C ATOM 88 O ASP A 6 -4.883 -5.566 9.790 1.00 0.00 O ATOM 89 CB ASP A 6 -4.003 -8.136 9.918 1.00 0.00 C ATOM 90 CG ASP A 6 -3.803 -9.584 10.370 1.00 0.00 C ATOM 91 OD1 ASP A 6 -3.832 -10.459 9.521 1.00 0.00 O ATOM 92 OD2 ASP A 6 -3.626 -9.792 11.559 1.00 0.00 O ATOM 0 H ASP A 6 -5.239 -8.643 7.690 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.068 -8.225 10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.432 -7.945 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.629 -7.451 10.679 1.00 0.00 H new ATOM 97 N LYS A 7 -6.849 -6.011 8.914 1.00 0.00 N ATOM 98 CA LYS A 7 -7.123 -4.562 8.683 1.00 0.00 C ATOM 99 C LYS A 7 -6.676 -3.756 9.904 1.00 0.00 C ATOM 100 O LYS A 7 -6.477 -2.559 9.830 1.00 0.00 O ATOM 101 CB LYS A 7 -8.620 -4.334 8.433 1.00 0.00 C ATOM 102 CG LYS A 7 -9.464 -5.298 9.276 1.00 0.00 C ATOM 103 CD LYS A 7 -9.283 -4.986 10.763 1.00 0.00 C ATOM 104 CE LYS A 7 -10.596 -5.251 11.502 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.511 -4.089 11.322 1.00 0.00 N ATOM 0 H LYS A 7 -7.589 -6.647 8.617 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.567 -4.234 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.882 -3.305 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.843 -4.477 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.515 -5.209 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.168 -6.327 9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.487 -5.602 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.983 -3.946 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.064 -6.158 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.402 -5.414 12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.404 -4.269 11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.064 -3.232 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.705 -3.953 10.309 1.00 0.00 H new ATOM 119 N GLU A 8 -6.512 -4.401 11.027 1.00 0.00 N ATOM 120 CA GLU A 8 -6.072 -3.667 12.247 1.00 0.00 C ATOM 121 C GLU A 8 -4.761 -2.939 11.944 1.00 0.00 C ATOM 122 O GLU A 8 -4.619 -1.761 12.208 1.00 0.00 O ATOM 123 CB GLU A 8 -5.852 -4.660 13.390 1.00 0.00 C ATOM 124 CG GLU A 8 -7.166 -5.381 13.699 1.00 0.00 C ATOM 125 CD GLU A 8 -7.157 -5.861 15.151 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.077 -5.985 15.706 1.00 0.00 O ATOM 127 OE2 GLU A 8 -8.228 -6.095 15.684 1.00 0.00 O ATOM 0 H GLU A 8 -6.663 -5.402 11.152 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.836 -2.946 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.084 -5.383 13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.495 -4.137 14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.009 -4.710 13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.295 -6.228 13.026 1.00 0.00 H new ATOM 134 N ALA A 9 -3.806 -3.629 11.383 1.00 0.00 N ATOM 135 CA ALA A 9 -2.510 -2.972 11.055 1.00 0.00 C ATOM 136 C ALA A 9 -2.764 -1.847 10.050 1.00 0.00 C ATOM 137 O ALA A 9 -2.596 -0.683 10.354 1.00 0.00 O ATOM 138 CB ALA A 9 -1.558 -3.998 10.441 1.00 0.00 C ATOM 0 H ALA A 9 -3.867 -4.617 11.138 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.063 -2.564 11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.610 -3.517 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.385 -4.806 11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.999 -4.404 9.531 1.00 0.00 H new ATOM 144 N CYS A 10 -3.170 -2.184 8.856 1.00 0.00 N ATOM 145 CA CYS A 10 -3.434 -1.131 7.839 1.00 0.00 C ATOM 146 C CYS A 10 -4.227 0.004 8.486 1.00 0.00 C ATOM 147 O CYS A 10 -3.794 1.135 8.503 1.00 0.00 O ATOM 148 CB CYS A 10 -4.244 -1.725 6.686 1.00 0.00 C ATOM 149 SG CYS A 10 -3.852 -3.485 6.519 1.00 0.00 S ATOM 0 H CYS A 10 -3.330 -3.142 8.543 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.489 -0.747 7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.310 -1.595 6.871 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.015 -1.201 5.758 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.239 -3.688 5.391 1.00 0.00 H new ATOM 155 N ARG A 11 -5.386 -0.281 9.015 1.00 0.00 N ATOM 156 CA ARG A 11 -6.200 0.794 9.651 1.00 0.00 C ATOM 157 C ARG A 11 -5.303 1.673 10.525 1.00 0.00 C ATOM 158 O ARG A 11 -5.243 2.874 10.358 1.00 0.00 O ATOM 159 CB ARG A 11 -7.288 0.159 10.520 1.00 0.00 C ATOM 160 CG ARG A 11 -8.113 1.258 11.193 1.00 0.00 C ATOM 161 CD ARG A 11 -9.356 0.643 11.838 1.00 0.00 C ATOM 162 NE ARG A 11 -8.956 -0.133 13.045 1.00 0.00 N ATOM 163 CZ ARG A 11 -9.858 -0.495 13.916 1.00 0.00 C ATOM 164 NH1 ARG A 11 -11.110 -0.177 13.730 1.00 0.00 N ATOM 165 NH2 ARG A 11 -9.508 -1.174 14.974 1.00 0.00 N ATOM 0 H ARG A 11 -5.804 -1.211 9.034 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.659 1.406 8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.934 -0.472 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.836 -0.484 11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.513 1.767 11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.405 2.009 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.061 1.427 12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.864 -0.007 11.126 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.977 -0.381 13.191 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.384 0.355 12.904 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.815 -0.460 14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.529 -1.422 15.120 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.213 -1.457 15.655 1.00 0.00 H new ATOM 179 N ALA A 12 -4.611 1.083 11.458 1.00 0.00 N ATOM 180 CA ALA A 12 -3.722 1.884 12.345 1.00 0.00 C ATOM 181 C ALA A 12 -2.957 2.920 11.515 1.00 0.00 C ATOM 182 O ALA A 12 -2.935 4.088 11.842 1.00 0.00 O ATOM 183 CB ALA A 12 -2.726 0.955 13.042 1.00 0.00 C ATOM 0 H ALA A 12 -4.622 0.080 11.645 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.328 2.397 13.091 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.075 1.541 13.691 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.269 0.222 13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.124 0.440 12.294 1.00 0.00 H new ATOM 189 N ALA A 13 -2.323 2.499 10.454 1.00 0.00 N ATOM 190 CA ALA A 13 -1.545 3.458 9.613 1.00 0.00 C ATOM 191 C ALA A 13 -2.475 4.178 8.631 1.00 0.00 C ATOM 192 O ALA A 13 -2.287 5.333 8.309 1.00 0.00 O ATOM 193 CB ALA A 13 -0.486 2.689 8.825 1.00 0.00 C ATOM 0 H ALA A 13 -2.309 1.531 10.132 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.071 4.195 10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.085 3.384 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.186 2.181 9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.972 1.952 8.185 1.00 0.00 H new ATOM 199 N TYR A 14 -3.469 3.493 8.146 1.00 0.00 N ATOM 200 CA TYR A 14 -4.415 4.107 7.169 1.00 0.00 C ATOM 201 C TYR A 14 -4.832 5.504 7.639 1.00 0.00 C ATOM 202 O TYR A 14 -4.538 6.496 7.002 1.00 0.00 O ATOM 203 CB TYR A 14 -5.651 3.215 7.059 1.00 0.00 C ATOM 204 CG TYR A 14 -6.276 3.359 5.693 1.00 0.00 C ATOM 205 CD1 TYR A 14 -7.008 4.509 5.373 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.132 2.336 4.749 1.00 0.00 C ATOM 207 CE1 TYR A 14 -7.596 4.634 4.109 1.00 0.00 C ATOM 208 CE2 TYR A 14 -6.718 2.462 3.484 1.00 0.00 C ATOM 209 CZ TYR A 14 -7.450 3.611 3.164 1.00 0.00 C ATOM 210 OH TYR A 14 -8.029 3.735 1.919 1.00 0.00 O ATOM 0 H TYR A 14 -3.671 2.522 8.386 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.927 4.198 6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.375 2.175 7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.374 3.486 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.119 5.299 6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.568 1.449 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.163 5.520 3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.605 1.673 2.755 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.477 4.319 1.358 1.00 0.00 H new ATOM 220 N ASN A 15 -5.536 5.585 8.732 1.00 0.00 N ATOM 221 CA ASN A 15 -5.998 6.914 9.227 1.00 0.00 C ATOM 222 C ASN A 15 -4.818 7.735 9.762 1.00 0.00 C ATOM 223 O ASN A 15 -4.703 8.914 9.495 1.00 0.00 O ATOM 224 CB ASN A 15 -7.023 6.707 10.343 1.00 0.00 C ATOM 225 CG ASN A 15 -8.321 6.151 9.754 1.00 0.00 C ATOM 226 OD1 ASN A 15 -9.336 6.820 9.753 1.00 0.00 O ATOM 227 ND2 ASN A 15 -8.334 4.947 9.248 1.00 0.00 N ATOM 0 H ASN A 15 -5.813 4.788 9.306 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.451 7.459 8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.627 6.019 11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.218 7.652 10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.195 4.569 8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.483 4.385 9.248 1.00 0.00 H new ATOM 234 N LEU A 16 -3.950 7.133 10.529 1.00 0.00 N ATOM 235 CA LEU A 16 -2.796 7.900 11.087 1.00 0.00 C ATOM 236 C LEU A 16 -2.075 8.629 9.953 1.00 0.00 C ATOM 237 O LEU A 16 -1.664 9.762 10.098 1.00 0.00 O ATOM 238 CB LEU A 16 -1.845 6.923 11.810 1.00 0.00 C ATOM 239 CG LEU A 16 -0.389 7.447 11.904 1.00 0.00 C ATOM 240 CD1 LEU A 16 0.311 7.378 10.547 1.00 0.00 C ATOM 241 CD2 LEU A 16 -0.349 8.886 12.439 1.00 0.00 C ATOM 0 H LEU A 16 -3.988 6.149 10.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.146 8.643 11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.223 6.735 12.815 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.848 5.968 11.285 1.00 0.00 H new ATOM 0 HG LEU A 16 0.142 6.801 12.604 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.330 7.752 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.335 6.344 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.232 7.989 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.685 9.225 12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.910 9.539 11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.794 8.917 13.434 1.00 0.00 H new ATOM 253 N VAL A 17 -1.909 7.994 8.824 1.00 0.00 N ATOM 254 CA VAL A 17 -1.196 8.667 7.699 1.00 0.00 C ATOM 255 C VAL A 17 -1.817 10.049 7.444 1.00 0.00 C ATOM 256 O VAL A 17 -1.357 10.800 6.606 1.00 0.00 O ATOM 257 CB VAL A 17 -1.302 7.820 6.424 1.00 0.00 C ATOM 258 CG1 VAL A 17 -0.641 8.562 5.262 1.00 0.00 C ATOM 259 CG2 VAL A 17 -0.586 6.483 6.627 1.00 0.00 C ATOM 0 H VAL A 17 -2.233 7.046 8.632 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.146 8.781 7.967 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.354 7.642 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.716 7.960 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.144 9.516 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.409 8.739 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.665 5.886 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.465 6.664 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.047 5.945 7.455 1.00 0.00 H new ATOM 269 N ARG A 18 -2.848 10.396 8.169 1.00 0.00 N ATOM 270 CA ARG A 18 -3.487 11.729 7.977 1.00 0.00 C ATOM 271 C ARG A 18 -3.106 12.642 9.148 1.00 0.00 C ATOM 272 O ARG A 18 -3.501 13.790 9.208 1.00 0.00 O ATOM 273 CB ARG A 18 -5.008 11.558 7.933 1.00 0.00 C ATOM 274 CG ARG A 18 -5.668 12.894 7.581 1.00 0.00 C ATOM 275 CD ARG A 18 -7.120 12.650 7.163 1.00 0.00 C ATOM 276 NE ARG A 18 -7.543 11.292 7.604 1.00 0.00 N ATOM 277 CZ ARG A 18 -8.810 10.976 7.624 1.00 0.00 C ATOM 278 NH1 ARG A 18 -9.706 11.853 7.262 1.00 0.00 N ATOM 279 NH2 ARG A 18 -9.179 9.785 8.007 1.00 0.00 N ATOM 0 H ARG A 18 -3.275 9.811 8.887 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.145 12.173 7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.277 10.803 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.372 11.205 8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.633 13.566 8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.122 13.380 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.769 13.406 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.218 12.739 6.081 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.843 10.608 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.417 12.784 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.696 11.607 7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.478 9.101 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.169 9.538 8.023 1.00 0.00 H new ATOM 335 N ALA A 23 4.531 9.233 9.653 1.00 0.00 N ATOM 336 CA ALA A 23 5.930 8.825 9.307 1.00 0.00 C ATOM 337 C ALA A 23 5.891 7.933 8.064 1.00 0.00 C ATOM 338 O ALA A 23 6.668 8.096 7.144 1.00 0.00 O ATOM 339 CB ALA A 23 6.568 8.035 10.454 1.00 0.00 C ATOM 0 HA ALA A 23 6.520 9.723 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.583 7.750 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.595 8.654 11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.980 7.138 10.650 1.00 0.00 H new ATOM 345 N VAL A 24 4.993 6.985 8.037 1.00 0.00 N ATOM 346 CA VAL A 24 4.901 6.071 6.863 1.00 0.00 C ATOM 347 C VAL A 24 4.025 6.705 5.779 1.00 0.00 C ATOM 348 O VAL A 24 2.826 6.828 5.935 1.00 0.00 O ATOM 349 CB VAL A 24 4.284 4.740 7.304 1.00 0.00 C ATOM 350 CG1 VAL A 24 2.836 4.964 7.747 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.308 3.752 6.136 1.00 0.00 C ATOM 0 H VAL A 24 4.318 6.804 8.780 1.00 0.00 H new ATOM 0 HA VAL A 24 5.899 5.898 6.461 1.00 0.00 H new ATOM 0 HB VAL A 24 4.860 4.336 8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.400 4.015 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.815 5.666 8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.260 5.371 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.869 2.805 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.734 4.159 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.338 3.587 5.820 1.00 0.00 H new ATOM 361 N ILE A 25 4.608 7.111 4.684 1.00 0.00 N ATOM 362 CA ILE A 25 3.796 7.736 3.603 1.00 0.00 C ATOM 363 C ILE A 25 2.689 6.751 3.180 1.00 0.00 C ATOM 364 O ILE A 25 1.592 7.147 2.837 1.00 0.00 O ATOM 365 CB ILE A 25 4.716 8.111 2.427 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.906 8.789 1.320 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.423 6.868 1.877 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.847 9.243 0.199 1.00 0.00 C ATOM 0 H ILE A 25 5.607 7.037 4.492 1.00 0.00 H new ATOM 0 HA ILE A 25 3.320 8.651 3.954 1.00 0.00 H new ATOM 0 HB ILE A 25 5.473 8.807 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.161 8.098 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.365 9.645 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.068 7.154 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.024 6.413 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.680 6.151 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.268 9.726 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.575 9.949 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.368 8.378 -0.212 1.00 0.00 H new ATOM 380 N TRP A 26 2.962 5.470 3.237 1.00 0.00 N ATOM 381 CA TRP A 26 1.930 4.453 2.881 1.00 0.00 C ATOM 382 C TRP A 26 2.313 3.095 3.471 1.00 0.00 C ATOM 383 O TRP A 26 3.478 2.782 3.617 1.00 0.00 O ATOM 384 CB TRP A 26 1.806 4.326 1.365 1.00 0.00 C ATOM 385 CG TRP A 26 3.156 4.138 0.735 1.00 0.00 C ATOM 386 CD1 TRP A 26 3.839 5.095 0.062 1.00 0.00 C ATOM 387 CD2 TRP A 26 3.989 2.943 0.690 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.040 4.570 -0.375 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.176 3.246 -0.020 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.838 1.639 1.193 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.171 2.295 -0.223 1.00 0.00 C ATOM 392 CZ3 TRP A 26 4.840 0.678 0.988 1.00 0.00 C ATOM 393 CH2 TRP A 26 6.002 1.006 0.282 1.00 0.00 C ATOM 0 H TRP A 26 3.864 5.085 3.518 1.00 0.00 H new ATOM 0 HA TRP A 26 0.973 4.775 3.291 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.163 3.481 1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.331 5.219 0.958 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.499 6.106 -0.106 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.740 5.098 -0.896 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.945 1.375 1.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.067 2.553 -0.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.713 -0.321 1.378 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.769 0.261 0.128 1.00 0.00 H new ATOM 404 N VAL A 27 1.342 2.284 3.799 1.00 0.00 N ATOM 405 CA VAL A 27 1.646 0.939 4.370 1.00 0.00 C ATOM 406 C VAL A 27 1.111 -0.143 3.427 1.00 0.00 C ATOM 407 O VAL A 27 0.000 -0.061 2.944 1.00 0.00 O ATOM 408 CB VAL A 27 0.980 0.792 5.738 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.688 1.689 6.753 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.493 1.198 5.639 1.00 0.00 C ATOM 0 H VAL A 27 0.350 2.496 3.696 1.00 0.00 H new ATOM 0 HA VAL A 27 2.725 0.831 4.483 1.00 0.00 H new ATOM 0 HB VAL A 27 1.049 -0.247 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.211 1.582 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.736 1.398 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.623 2.728 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.966 1.092 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.563 2.235 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.000 0.556 4.919 1.00 0.00 H new ATOM 420 N THR A 28 1.896 -1.155 3.161 1.00 0.00 N ATOM 421 CA THR A 28 1.435 -2.243 2.248 1.00 0.00 C ATOM 422 C THR A 28 1.550 -3.596 2.951 1.00 0.00 C ATOM 423 O THR A 28 2.484 -3.845 3.689 1.00 0.00 O ATOM 424 CB THR A 28 2.309 -2.263 0.990 1.00 0.00 C ATOM 425 OG1 THR A 28 3.674 -2.357 1.369 1.00 0.00 O ATOM 426 CG2 THR A 28 2.087 -0.982 0.182 1.00 0.00 C ATOM 0 H THR A 28 2.837 -1.275 3.537 1.00 0.00 H new ATOM 0 HA THR A 28 0.396 -2.059 1.976 1.00 0.00 H new ATOM 0 HB THR A 28 2.039 -3.122 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.222 -2.532 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.711 -1.002 -0.711 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.039 -0.913 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.352 -0.117 0.790 1.00 0.00 H new ATOM 434 N PHE A 29 0.621 -4.483 2.704 1.00 0.00 N ATOM 435 CA PHE A 29 0.683 -5.831 3.327 1.00 0.00 C ATOM 436 C PHE A 29 0.707 -6.862 2.213 1.00 0.00 C ATOM 437 O PHE A 29 0.399 -6.569 1.075 1.00 0.00 O ATOM 438 CB PHE A 29 -0.534 -6.085 4.219 1.00 0.00 C ATOM 439 CG PHE A 29 -1.602 -5.052 3.973 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.389 -3.719 4.342 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.818 -5.434 3.395 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.395 -2.769 4.135 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.821 -4.485 3.184 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.610 -3.154 3.555 1.00 0.00 C ATOM 0 H PHE A 29 -0.181 -4.327 2.093 1.00 0.00 H new ATOM 0 HA PHE A 29 1.577 -5.898 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.933 -7.080 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.234 -6.062 5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.450 -3.424 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.981 -6.463 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.235 -1.740 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.758 -4.779 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.386 -2.421 3.394 1.00 0.00 H new ATOM 454 N ARG A 30 1.083 -8.060 2.521 1.00 0.00 N ATOM 455 CA ARG A 30 1.144 -9.101 1.470 1.00 0.00 C ATOM 456 C ARG A 30 0.652 -10.433 2.031 1.00 0.00 C ATOM 457 O ARG A 30 0.830 -10.734 3.195 1.00 0.00 O ATOM 458 CB ARG A 30 2.588 -9.231 0.991 1.00 0.00 C ATOM 459 CG ARG A 30 3.526 -9.393 2.193 1.00 0.00 C ATOM 460 CD ARG A 30 4.924 -8.894 1.821 1.00 0.00 C ATOM 461 NE ARG A 30 5.869 -9.183 2.936 1.00 0.00 N ATOM 462 CZ ARG A 30 7.157 -9.120 2.733 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.616 -8.804 1.553 1.00 0.00 N ATOM 464 NH2 ARG A 30 7.985 -9.372 3.709 1.00 0.00 N ATOM 0 H ARG A 30 1.352 -8.367 3.456 1.00 0.00 H new ATOM 0 HA ARG A 30 0.505 -8.822 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.684 -10.090 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.870 -8.349 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.143 -8.832 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.570 -10.439 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.264 -9.381 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.898 -7.823 1.621 1.00 0.00 H new ATOM 0 HE ARG A 30 5.510 -9.430 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.968 -8.606 0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.622 -8.755 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.626 -9.618 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.991 -9.323 3.550 1.00 0.00 H new ATOM 478 N TYR A 31 0.021 -11.227 1.213 1.00 0.00 N ATOM 479 CA TYR A 31 -0.501 -12.532 1.694 1.00 0.00 C ATOM 480 C TYR A 31 0.640 -13.384 2.238 1.00 0.00 C ATOM 481 O TYR A 31 1.340 -14.044 1.496 1.00 0.00 O ATOM 482 CB TYR A 31 -1.160 -13.274 0.532 1.00 0.00 C ATOM 483 CG TYR A 31 -1.863 -12.281 -0.360 1.00 0.00 C ATOM 484 CD1 TYR A 31 -3.135 -11.809 -0.015 1.00 0.00 C ATOM 485 CD2 TYR A 31 -1.242 -11.830 -1.529 1.00 0.00 C ATOM 486 CE1 TYR A 31 -3.784 -10.886 -0.840 1.00 0.00 C ATOM 487 CE2 TYR A 31 -1.892 -10.908 -2.356 1.00 0.00 C ATOM 488 CZ TYR A 31 -3.163 -10.436 -2.012 1.00 0.00 C ATOM 489 OH TYR A 31 -3.802 -9.525 -2.826 1.00 0.00 O ATOM 0 H TYR A 31 -0.156 -11.026 0.229 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.228 -12.351 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.409 -13.823 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.872 -14.007 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.614 -12.158 0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.260 -12.194 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.764 -10.520 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.413 -10.561 -3.259 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.752 -8.634 -2.422 1.00 0.00 H new ATOM 499 N ASP A 32 0.817 -13.402 3.527 1.00 0.00 N ATOM 500 CA ASP A 32 1.891 -14.243 4.103 1.00 0.00 C ATOM 501 C ASP A 32 1.248 -15.523 4.626 1.00 0.00 C ATOM 502 O ASP A 32 0.648 -15.542 5.683 1.00 0.00 O ATOM 503 CB ASP A 32 2.565 -13.496 5.255 1.00 0.00 C ATOM 504 CG ASP A 32 1.582 -12.484 5.842 1.00 0.00 C ATOM 505 OD1 ASP A 32 0.490 -12.891 6.201 1.00 0.00 O ATOM 506 OD2 ASP A 32 1.938 -11.320 5.922 1.00 0.00 O ATOM 0 H ASP A 32 0.266 -12.872 4.202 1.00 0.00 H new ATOM 0 HA ASP A 32 2.644 -14.474 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.883 -14.200 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.461 -12.987 4.899 1.00 0.00 H new ATOM 511 N GLY A 33 1.354 -16.589 3.888 1.00 0.00 N ATOM 512 CA GLY A 33 0.730 -17.863 4.338 1.00 0.00 C ATOM 513 C GLY A 33 -0.789 -17.759 4.178 1.00 0.00 C ATOM 514 O GLY A 33 -1.291 -17.531 3.094 1.00 0.00 O ATOM 0 H GLY A 33 1.844 -16.635 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.114 -18.698 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.986 -18.060 5.379 1.00 0.00 H new ATOM 518 N ALA A 34 -1.523 -17.934 5.243 1.00 0.00 N ATOM 519 CA ALA A 34 -3.011 -17.855 5.148 1.00 0.00 C ATOM 520 C ALA A 34 -3.522 -16.582 5.832 1.00 0.00 C ATOM 521 O ALA A 34 -4.663 -16.503 6.240 1.00 0.00 O ATOM 522 CB ALA A 34 -3.626 -19.077 5.833 1.00 0.00 C ATOM 0 H ALA A 34 -1.158 -18.128 6.175 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.298 -17.832 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.713 -19.023 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.276 -19.984 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.328 -19.095 6.881 1.00 0.00 H new ATOM 528 N THR A 35 -2.686 -15.585 5.967 1.00 0.00 N ATOM 529 CA THR A 35 -3.134 -14.325 6.633 1.00 0.00 C ATOM 530 C THR A 35 -2.594 -13.106 5.877 1.00 0.00 C ATOM 531 O THR A 35 -1.577 -13.170 5.217 1.00 0.00 O ATOM 532 CB THR A 35 -2.614 -14.300 8.073 1.00 0.00 C ATOM 533 OG1 THR A 35 -2.761 -15.589 8.650 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.411 -13.280 8.886 1.00 0.00 C ATOM 0 H THR A 35 -1.718 -15.588 5.647 1.00 0.00 H new ATOM 0 HA THR A 35 -4.223 -14.290 6.631 1.00 0.00 H new ATOM 0 HB THR A 35 -1.561 -14.019 8.075 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.427 -15.575 9.571 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.041 -13.262 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.297 -12.291 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.465 -13.558 8.886 1.00 0.00 H new ATOM 542 N ILE A 36 -3.274 -11.992 5.976 1.00 0.00 N ATOM 543 CA ILE A 36 -2.812 -10.757 5.276 1.00 0.00 C ATOM 544 C ILE A 36 -2.312 -9.749 6.314 1.00 0.00 C ATOM 545 O ILE A 36 -3.092 -9.113 6.997 1.00 0.00 O ATOM 546 CB ILE A 36 -3.980 -10.149 4.493 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.077 -10.822 3.121 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.753 -8.646 4.306 1.00 0.00 C ATOM 549 CD1 ILE A 36 -4.411 -12.305 3.302 1.00 0.00 C ATOM 0 H ILE A 36 -4.134 -11.885 6.515 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.004 -11.004 4.587 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.905 -10.307 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.845 -10.336 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.135 -10.713 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.587 -8.219 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.684 -8.164 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.827 -8.484 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.480 -12.784 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.627 -12.786 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.364 -12.402 3.822 1.00 0.00 H new ATOM 561 N VAL A 37 -1.020 -9.601 6.447 1.00 0.00 N ATOM 562 CA VAL A 37 -0.479 -8.638 7.451 1.00 0.00 C ATOM 563 C VAL A 37 0.662 -7.824 6.827 1.00 0.00 C ATOM 564 O VAL A 37 1.313 -8.265 5.901 1.00 0.00 O ATOM 565 CB VAL A 37 0.037 -9.423 8.667 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.535 -10.840 8.628 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.569 -9.498 8.645 1.00 0.00 C ATOM 0 H VAL A 37 -0.317 -10.104 5.905 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.265 -7.952 7.767 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.279 -8.914 9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.173 -11.402 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.624 -10.794 8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.217 -11.336 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.918 -10.057 9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.896 -10.000 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.983 -8.490 8.672 1.00 0.00 H new ATOM 577 N PRO A 38 0.907 -6.644 7.342 1.00 0.00 N ATOM 578 CA PRO A 38 1.986 -5.749 6.850 1.00 0.00 C ATOM 579 C PRO A 38 3.197 -6.524 6.323 1.00 0.00 C ATOM 580 O PRO A 38 3.593 -7.529 6.879 1.00 0.00 O ATOM 581 CB PRO A 38 2.354 -4.950 8.098 1.00 0.00 C ATOM 582 CG PRO A 38 1.093 -4.870 8.906 1.00 0.00 C ATOM 583 CD PRO A 38 0.181 -6.023 8.457 1.00 0.00 C ATOM 0 HA PRO A 38 1.666 -5.136 6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.149 -5.441 8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.716 -3.956 7.835 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.314 -4.949 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.600 -3.910 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.010 -6.734 9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.796 -5.658 8.142 1.00 0.00 H new ATOM 591 N GLY A 39 3.786 -6.062 5.254 1.00 0.00 N ATOM 592 CA GLY A 39 4.971 -6.771 4.690 1.00 0.00 C ATOM 593 C GLY A 39 5.994 -5.758 4.177 1.00 0.00 C ATOM 594 O GLY A 39 7.161 -6.057 4.030 1.00 0.00 O ATOM 0 H GLY A 39 3.499 -5.225 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.424 -7.402 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.659 -7.428 3.878 1.00 0.00 H new ATOM 598 N ASP A 40 5.560 -4.564 3.897 1.00 0.00 N ATOM 599 CA ASP A 40 6.494 -3.529 3.385 1.00 0.00 C ATOM 600 C ASP A 40 6.116 -2.169 3.960 1.00 0.00 C ATOM 601 O ASP A 40 5.199 -2.041 4.747 1.00 0.00 O ATOM 602 CB ASP A 40 6.408 -3.464 1.866 1.00 0.00 C ATOM 603 CG ASP A 40 7.746 -3.887 1.258 1.00 0.00 C ATOM 604 OD1 ASP A 40 8.759 -3.344 1.668 1.00 0.00 O ATOM 605 OD2 ASP A 40 7.736 -4.746 0.392 1.00 0.00 O ATOM 0 H ASP A 40 4.592 -4.259 4.002 1.00 0.00 H new ATOM 0 HA ASP A 40 7.509 -3.788 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.612 -4.117 1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.157 -2.452 1.549 1.00 0.00 H new ATOM 610 N GLN A 41 6.836 -1.155 3.581 1.00 0.00 N ATOM 611 CA GLN A 41 6.545 0.204 4.114 1.00 0.00 C ATOM 612 C GLN A 41 7.092 1.280 3.180 1.00 0.00 C ATOM 613 O GLN A 41 7.692 0.996 2.165 1.00 0.00 O ATOM 614 CB GLN A 41 7.228 0.354 5.469 1.00 0.00 C ATOM 615 CG GLN A 41 8.634 -0.265 5.404 1.00 0.00 C ATOM 616 CD GLN A 41 9.475 0.452 4.335 1.00 0.00 C ATOM 617 OE1 GLN A 41 10.078 1.470 4.608 1.00 0.00 O ATOM 618 NE2 GLN A 41 9.535 -0.038 3.117 1.00 0.00 N ATOM 0 H GLN A 41 7.615 -1.207 2.924 1.00 0.00 H new ATOM 0 HA GLN A 41 5.465 0.322 4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.295 1.408 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.638 -0.137 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.121 -0.185 6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.562 -1.327 5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.029 -0.893 2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.087 0.437 2.403 1.00 0.00 H new ATOM 627 N GLY A 42 6.898 2.520 3.534 1.00 0.00 N ATOM 628 CA GLY A 42 7.420 3.622 2.686 1.00 0.00 C ATOM 629 C GLY A 42 7.438 4.924 3.482 1.00 0.00 C ATOM 630 O GLY A 42 6.477 5.293 4.124 1.00 0.00 O ATOM 0 H GLY A 42 6.400 2.816 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.426 3.382 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.797 3.736 1.799 1.00 0.00 H new ATOM 634 N ALA A 43 8.526 5.639 3.408 1.00 0.00 N ATOM 635 CA ALA A 43 8.625 6.943 4.117 1.00 0.00 C ATOM 636 C ALA A 43 8.534 8.029 3.052 1.00 0.00 C ATOM 637 O ALA A 43 8.415 9.205 3.333 1.00 0.00 O ATOM 638 CB ALA A 43 9.966 7.040 4.848 1.00 0.00 C ATOM 0 H ALA A 43 9.358 5.372 2.881 1.00 0.00 H new ATOM 0 HA ALA A 43 7.831 7.049 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.030 7.998 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.044 6.230 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.780 6.961 4.127 1.00 0.00 H new ATOM 644 N ASP A 44 8.573 7.608 1.821 1.00 0.00 N ATOM 645 CA ASP A 44 8.474 8.543 0.676 1.00 0.00 C ATOM 646 C ASP A 44 7.993 7.739 -0.531 1.00 0.00 C ATOM 647 O ASP A 44 7.850 6.535 -0.458 1.00 0.00 O ATOM 648 CB ASP A 44 9.848 9.151 0.381 1.00 0.00 C ATOM 649 CG ASP A 44 10.365 9.872 1.628 1.00 0.00 C ATOM 650 OD1 ASP A 44 9.668 10.749 2.113 1.00 0.00 O ATOM 651 OD2 ASP A 44 11.449 9.536 2.075 1.00 0.00 O ATOM 0 H ASP A 44 8.672 6.628 1.557 1.00 0.00 H new ATOM 0 HA ASP A 44 7.781 9.354 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.547 8.369 0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.777 9.849 -0.453 1.00 0.00 H new ATOM 656 N TYR A 45 7.744 8.372 -1.636 1.00 0.00 N ATOM 657 CA TYR A 45 7.278 7.607 -2.825 1.00 0.00 C ATOM 658 C TYR A 45 8.444 6.792 -3.390 1.00 0.00 C ATOM 659 O TYR A 45 8.294 5.652 -3.774 1.00 0.00 O ATOM 660 CB TYR A 45 6.767 8.582 -3.888 1.00 0.00 C ATOM 661 CG TYR A 45 5.491 8.050 -4.494 1.00 0.00 C ATOM 662 CD1 TYR A 45 4.302 8.074 -3.755 1.00 0.00 C ATOM 663 CD2 TYR A 45 5.496 7.537 -5.796 1.00 0.00 C ATOM 664 CE1 TYR A 45 3.118 7.582 -4.318 1.00 0.00 C ATOM 665 CE2 TYR A 45 4.312 7.045 -6.359 1.00 0.00 C ATOM 666 CZ TYR A 45 3.123 7.068 -5.620 1.00 0.00 C ATOM 667 OH TYR A 45 1.957 6.584 -6.175 1.00 0.00 O ATOM 0 H TYR A 45 7.841 9.378 -1.771 1.00 0.00 H new ATOM 0 HA TYR A 45 6.471 6.933 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.589 9.561 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.521 8.717 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.298 8.472 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.413 7.521 -6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.201 7.599 -3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.316 6.648 -7.363 1.00 0.00 H new ATOM 0 HH TYR A 45 2.077 6.472 -7.141 1.00 0.00 H new ATOM 677 N GLN A 46 9.607 7.370 -3.440 1.00 0.00 N ATOM 678 CA GLN A 46 10.784 6.641 -3.983 1.00 0.00 C ATOM 679 C GLN A 46 10.928 5.279 -3.297 1.00 0.00 C ATOM 680 O GLN A 46 11.371 4.319 -3.898 1.00 0.00 O ATOM 681 CB GLN A 46 12.041 7.475 -3.736 1.00 0.00 C ATOM 682 CG GLN A 46 11.798 8.911 -4.205 1.00 0.00 C ATOM 683 CD GLN A 46 11.286 8.899 -5.647 1.00 0.00 C ATOM 684 OE1 GLN A 46 12.062 8.821 -6.579 1.00 0.00 O ATOM 685 NE2 GLN A 46 10.002 8.972 -5.873 1.00 0.00 N ATOM 0 H GLN A 46 9.795 8.322 -3.126 1.00 0.00 H new ATOM 0 HA GLN A 46 10.647 6.480 -5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.295 7.465 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.888 7.044 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.072 9.399 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.721 9.487 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.350 9.037 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.651 8.963 -6.831 1.00 0.00 H new ATOM 694 N HIS A 47 10.565 5.179 -2.048 1.00 0.00 N ATOM 695 CA HIS A 47 10.697 3.872 -1.348 1.00 0.00 C ATOM 696 C HIS A 47 9.757 2.845 -1.979 1.00 0.00 C ATOM 697 O HIS A 47 9.892 1.661 -1.763 1.00 0.00 O ATOM 698 CB HIS A 47 10.355 4.026 0.133 1.00 0.00 C ATOM 699 CG HIS A 47 11.267 3.142 0.938 1.00 0.00 C ATOM 700 ND1 HIS A 47 10.794 2.280 1.920 1.00 0.00 N ATOM 701 CD2 HIS A 47 12.629 2.966 0.910 1.00 0.00 C ATOM 702 CE1 HIS A 47 11.856 1.631 2.435 1.00 0.00 C ATOM 703 NE2 HIS A 47 12.994 2.015 1.854 1.00 0.00 N ATOM 0 H HIS A 47 10.185 5.941 -1.486 1.00 0.00 H new ATOM 0 HA HIS A 47 11.728 3.531 -1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.470 5.065 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.314 3.754 0.310 1.00 0.00 H new ATOM 0 HD2 HIS A 47 13.311 3.487 0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.794 0.892 3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 47 13.935 1.680 2.060 1.00 0.00 H new ATOM 712 N PHE A 48 8.807 3.280 -2.758 1.00 0.00 N ATOM 713 CA PHE A 48 7.878 2.305 -3.393 1.00 0.00 C ATOM 714 C PHE A 48 8.547 1.730 -4.644 1.00 0.00 C ATOM 715 O PHE A 48 8.276 0.623 -5.055 1.00 0.00 O ATOM 716 CB PHE A 48 6.552 3.009 -3.745 1.00 0.00 C ATOM 717 CG PHE A 48 6.395 3.176 -5.243 1.00 0.00 C ATOM 718 CD1 PHE A 48 6.196 2.058 -6.066 1.00 0.00 C ATOM 719 CD2 PHE A 48 6.444 4.456 -5.810 1.00 0.00 C ATOM 720 CE1 PHE A 48 6.052 2.224 -7.449 1.00 0.00 C ATOM 721 CE2 PHE A 48 6.299 4.621 -7.191 1.00 0.00 C ATOM 722 CZ PHE A 48 6.106 3.505 -8.009 1.00 0.00 C ATOM 0 H PHE A 48 8.634 4.260 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 48 7.655 1.489 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.716 2.430 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.518 3.986 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.154 1.069 -5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.594 5.319 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.899 1.363 -8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.336 5.609 -7.625 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.998 3.631 -9.076 1.00 0.00 H new ATOM 732 N ILE A 49 9.421 2.478 -5.248 1.00 0.00 N ATOM 733 CA ILE A 49 10.109 1.988 -6.479 1.00 0.00 C ATOM 734 C ILE A 49 11.259 1.038 -6.122 1.00 0.00 C ATOM 735 O ILE A 49 11.710 0.271 -6.948 1.00 0.00 O ATOM 736 CB ILE A 49 10.653 3.195 -7.248 1.00 0.00 C ATOM 737 CG1 ILE A 49 9.518 4.198 -7.421 1.00 0.00 C ATOM 738 CG2 ILE A 49 11.162 2.758 -8.627 1.00 0.00 C ATOM 739 CD1 ILE A 49 9.722 5.005 -8.704 1.00 0.00 C ATOM 0 H ILE A 49 9.693 3.413 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 49 9.396 1.438 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 49 11.481 3.643 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.562 3.675 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.480 4.868 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.546 3.625 -9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.959 2.024 -8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.343 2.314 -9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.906 5.719 -8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.669 5.542 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.737 4.330 -9.560 1.00 0.00 H new ATOM 751 N GLN A 50 11.746 1.066 -4.912 1.00 0.00 N ATOM 752 CA GLN A 50 12.869 0.144 -4.575 1.00 0.00 C ATOM 753 C GLN A 50 12.316 -1.210 -4.123 1.00 0.00 C ATOM 754 O GLN A 50 12.795 -2.251 -4.527 1.00 0.00 O ATOM 755 CB GLN A 50 13.747 0.759 -3.475 1.00 0.00 C ATOM 756 CG GLN A 50 13.001 0.773 -2.142 1.00 0.00 C ATOM 757 CD GLN A 50 13.245 -0.542 -1.396 1.00 0.00 C ATOM 758 OE1 GLN A 50 12.917 -0.662 -0.232 1.00 0.00 O ATOM 759 NE2 GLN A 50 13.812 -1.539 -2.018 1.00 0.00 N ATOM 0 H GLN A 50 11.425 1.672 -4.157 1.00 0.00 H new ATOM 0 HA GLN A 50 13.482 -0.008 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.670 0.188 -3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.029 1.775 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.338 1.614 -1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.934 0.911 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.088 -1.440 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.979 -2.417 -1.527 1.00 0.00 H new ATOM 768 N GLN A 51 11.334 -1.205 -3.267 1.00 0.00 N ATOM 769 CA GLN A 51 10.773 -2.489 -2.764 1.00 0.00 C ATOM 770 C GLN A 51 9.413 -2.780 -3.407 1.00 0.00 C ATOM 771 O GLN A 51 8.425 -2.972 -2.725 1.00 0.00 O ATOM 772 CB GLN A 51 10.601 -2.384 -1.253 1.00 0.00 C ATOM 773 CG GLN A 51 9.939 -1.049 -0.917 1.00 0.00 C ATOM 774 CD GLN A 51 8.733 -1.313 -0.026 1.00 0.00 C ATOM 775 OE1 GLN A 51 8.699 -0.908 1.116 1.00 0.00 O ATOM 776 NE2 GLN A 51 7.730 -1.985 -0.517 1.00 0.00 N ATOM 0 H GLN A 51 10.894 -0.364 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 51 11.455 -3.300 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.991 -3.209 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.569 -2.459 -0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.647 -0.393 -0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.630 -0.540 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.765 -2.323 -1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.910 -2.173 0.060 1.00 0.00 H new ATOM 785 N CYS A 52 9.352 -2.829 -4.708 1.00 0.00 N ATOM 786 CA CYS A 52 8.050 -3.124 -5.378 1.00 0.00 C ATOM 787 C CYS A 52 8.310 -3.648 -6.790 1.00 0.00 C ATOM 788 O CYS A 52 7.974 -3.015 -7.771 1.00 0.00 O ATOM 789 CB CYS A 52 7.206 -1.852 -5.454 1.00 0.00 C ATOM 790 SG CYS A 52 5.491 -2.290 -5.833 1.00 0.00 S ATOM 0 H CYS A 52 10.142 -2.679 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 52 7.513 -3.878 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.255 -1.313 -4.508 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.601 -1.186 -6.221 1.00 0.00 H new ATOM 0 HG CYS A 52 5.452 -2.971 -6.939 1.00 0.00 H new ATOM 796 N THR A 53 8.913 -4.799 -6.902 1.00 0.00 N ATOM 797 CA THR A 53 9.203 -5.362 -8.252 1.00 0.00 C ATOM 798 C THR A 53 7.982 -6.129 -8.771 1.00 0.00 C ATOM 799 O THR A 53 7.204 -6.671 -8.012 1.00 0.00 O ATOM 800 CB THR A 53 10.398 -6.314 -8.159 1.00 0.00 C ATOM 801 OG1 THR A 53 10.204 -7.211 -7.075 1.00 0.00 O ATOM 802 CG2 THR A 53 11.679 -5.509 -7.935 1.00 0.00 C ATOM 0 H THR A 53 9.218 -5.375 -6.117 1.00 0.00 H new ATOM 0 HA THR A 53 9.433 -4.547 -8.938 1.00 0.00 H new ATOM 0 HB THR A 53 10.485 -6.879 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.968 -7.822 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.529 -6.188 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.827 -4.822 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.595 -4.942 -7.008 1.00 0.00 H new ATOM 810 N ASP A 54 7.813 -6.172 -10.066 1.00 0.00 N ATOM 811 CA ASP A 54 6.647 -6.896 -10.651 1.00 0.00 C ATOM 812 C ASP A 54 6.574 -8.316 -10.083 1.00 0.00 C ATOM 813 O ASP A 54 5.656 -9.059 -10.367 1.00 0.00 O ATOM 814 CB ASP A 54 6.804 -6.966 -12.171 1.00 0.00 C ATOM 815 CG ASP A 54 8.273 -7.214 -12.521 1.00 0.00 C ATOM 816 OD1 ASP A 54 9.018 -7.588 -11.631 1.00 0.00 O ATOM 817 OD2 ASP A 54 8.626 -7.026 -13.674 1.00 0.00 O ATOM 0 H ASP A 54 8.435 -5.735 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 54 5.731 -6.362 -10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.183 -7.765 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.463 -6.036 -12.626 1.00 0.00 H new ATOM 822 N ASP A 55 7.528 -8.702 -9.283 1.00 0.00 N ATOM 823 CA ASP A 55 7.504 -10.072 -8.703 1.00 0.00 C ATOM 824 C ASP A 55 6.848 -10.025 -7.321 1.00 0.00 C ATOM 825 O ASP A 55 7.037 -10.905 -6.505 1.00 0.00 O ATOM 826 CB ASP A 55 8.935 -10.597 -8.571 1.00 0.00 C ATOM 827 CG ASP A 55 8.996 -12.044 -9.062 1.00 0.00 C ATOM 828 OD1 ASP A 55 8.054 -12.776 -8.806 1.00 0.00 O ATOM 829 OD2 ASP A 55 9.983 -12.396 -9.688 1.00 0.00 O ATOM 0 H ASP A 55 8.324 -8.127 -9.006 1.00 0.00 H new ATOM 0 HA ASP A 55 6.935 -10.734 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.616 -9.976 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.260 -10.541 -7.532 1.00 0.00 H new ATOM 834 N VAL A 56 6.079 -9.004 -7.052 1.00 0.00 N ATOM 835 CA VAL A 56 5.416 -8.905 -5.721 1.00 0.00 C ATOM 836 C VAL A 56 3.975 -8.411 -5.898 1.00 0.00 C ATOM 837 O VAL A 56 3.664 -7.696 -6.831 1.00 0.00 O ATOM 838 CB VAL A 56 6.200 -7.936 -4.830 1.00 0.00 C ATOM 839 CG1 VAL A 56 5.564 -6.545 -4.882 1.00 0.00 C ATOM 840 CG2 VAL A 56 6.182 -8.446 -3.388 1.00 0.00 C ATOM 0 H VAL A 56 5.882 -8.237 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 56 5.397 -9.887 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 56 7.228 -7.874 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.128 -5.863 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.576 -6.178 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.534 -6.602 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.739 -7.758 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.152 -8.510 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.642 -9.433 -3.345 1.00 0.00 H new ATOM 850 N ARG A 57 3.098 -8.792 -5.009 1.00 0.00 N ATOM 851 CA ARG A 57 1.676 -8.349 -5.120 1.00 0.00 C ATOM 852 C ARG A 57 1.197 -7.798 -3.772 1.00 0.00 C ATOM 853 O ARG A 57 1.395 -8.406 -2.739 1.00 0.00 O ATOM 854 CB ARG A 57 0.799 -9.534 -5.541 1.00 0.00 C ATOM 855 CG ARG A 57 1.657 -10.795 -5.675 1.00 0.00 C ATOM 856 CD ARG A 57 2.215 -11.188 -4.306 1.00 0.00 C ATOM 857 NE ARG A 57 3.703 -11.244 -4.374 1.00 0.00 N ATOM 858 CZ ARG A 57 4.406 -11.266 -3.275 1.00 0.00 C ATOM 859 NH1 ARG A 57 3.807 -11.241 -2.117 1.00 0.00 N ATOM 860 NH2 ARG A 57 5.709 -11.315 -3.336 1.00 0.00 N ATOM 0 H ARG A 57 3.304 -9.391 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 57 1.601 -7.563 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.012 -9.695 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.308 -9.315 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.060 -11.611 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.474 -10.618 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.902 -10.465 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.817 -12.157 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 57 4.172 -11.265 -5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.789 -11.204 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.357 -11.258 -1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.177 -11.336 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.259 -11.332 -2.477 1.00 0.00 H new ATOM 874 N LEU A 58 0.580 -6.643 -3.767 1.00 0.00 N ATOM 875 CA LEU A 58 0.109 -6.064 -2.474 1.00 0.00 C ATOM 876 C LEU A 58 -0.739 -4.809 -2.724 1.00 0.00 C ATOM 877 O LEU A 58 -0.878 -4.350 -3.839 1.00 0.00 O ATOM 878 CB LEU A 58 1.336 -5.695 -1.634 1.00 0.00 C ATOM 879 CG LEU A 58 2.209 -4.690 -2.399 1.00 0.00 C ATOM 880 CD1 LEU A 58 1.578 -3.293 -2.374 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.593 -4.629 -1.750 1.00 0.00 C ATOM 0 H LEU A 58 0.384 -6.081 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.506 -6.795 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.021 -5.266 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.913 -6.591 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 58 2.292 -5.017 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.213 -2.597 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.594 -3.330 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.478 -2.957 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.217 -3.917 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.494 -4.311 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.055 -5.616 -1.785 1.00 0.00 H new ATOM 893 N PHE A 59 -1.296 -4.245 -1.682 1.00 0.00 N ATOM 894 CA PHE A 59 -2.120 -3.008 -1.841 1.00 0.00 C ATOM 895 C PHE A 59 -1.372 -1.841 -1.195 1.00 0.00 C ATOM 896 O PHE A 59 -0.604 -2.034 -0.274 1.00 0.00 O ATOM 897 CB PHE A 59 -3.471 -3.182 -1.142 1.00 0.00 C ATOM 898 CG PHE A 59 -3.885 -4.633 -1.175 1.00 0.00 C ATOM 899 CD1 PHE A 59 -4.528 -5.151 -2.304 1.00 0.00 C ATOM 900 CD2 PHE A 59 -3.636 -5.457 -0.072 1.00 0.00 C ATOM 901 CE1 PHE A 59 -4.923 -6.493 -2.331 1.00 0.00 C ATOM 902 CE2 PHE A 59 -4.029 -6.800 -0.099 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.673 -7.318 -1.228 1.00 0.00 C ATOM 0 H PHE A 59 -1.215 -4.589 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.290 -2.817 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.403 -2.838 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.226 -2.568 -1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.720 -4.515 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.141 -5.057 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.421 -6.892 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.835 -7.437 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.977 -8.354 -1.249 1.00 0.00 H new ATOM 913 N ALA A 60 -1.588 -0.632 -1.650 1.00 0.00 N ATOM 914 CA ALA A 60 -0.878 0.532 -1.043 1.00 0.00 C ATOM 915 C ALA A 60 -1.880 1.654 -0.758 1.00 0.00 C ATOM 916 O ALA A 60 -2.935 1.724 -1.356 1.00 0.00 O ATOM 917 CB ALA A 60 0.190 1.041 -2.014 1.00 0.00 C ATOM 0 H ALA A 60 -2.224 -0.402 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.407 0.221 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.709 1.891 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.906 0.245 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.283 1.350 -2.946 1.00 0.00 H new ATOM 923 N PHE A 61 -1.561 2.530 0.157 1.00 0.00 N ATOM 924 CA PHE A 61 -2.494 3.646 0.488 1.00 0.00 C ATOM 925 C PHE A 61 -1.686 4.867 0.937 1.00 0.00 C ATOM 926 O PHE A 61 -1.293 4.968 2.082 1.00 0.00 O ATOM 927 CB PHE A 61 -3.417 3.192 1.618 1.00 0.00 C ATOM 928 CG PHE A 61 -4.223 4.355 2.140 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.409 4.726 1.501 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.793 5.049 3.276 1.00 0.00 C ATOM 931 CE1 PHE A 61 -6.163 5.793 1.996 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.550 6.115 3.774 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.736 6.487 3.133 1.00 0.00 C ATOM 0 H PHE A 61 -0.692 2.521 0.691 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.086 3.914 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.086 2.411 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.827 2.759 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.742 4.189 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.876 4.762 3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.077 6.083 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.219 6.650 4.652 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.322 7.310 3.516 1.00 0.00 H new ATOM 943 N VAL A 62 -1.432 5.793 0.046 1.00 0.00 N ATOM 944 CA VAL A 62 -0.647 7.005 0.429 1.00 0.00 C ATOM 945 C VAL A 62 -1.525 8.244 0.290 1.00 0.00 C ATOM 946 O VAL A 62 -2.482 8.260 -0.457 1.00 0.00 O ATOM 947 CB VAL A 62 0.592 7.129 -0.477 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.538 6.065 -1.572 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.671 8.510 -1.121 1.00 0.00 C ATOM 0 H VAL A 62 -1.734 5.762 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.319 6.915 1.464 1.00 0.00 H new ATOM 0 HB VAL A 62 1.478 6.985 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.416 6.156 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.521 5.075 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.362 6.204 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.556 8.566 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.219 8.681 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.733 9.271 -0.343 1.00 0.00 H new ATOM 959 N ARG A 63 -1.198 9.286 0.995 1.00 0.00 N ATOM 960 CA ARG A 63 -2.004 10.536 0.896 1.00 0.00 C ATOM 961 C ARG A 63 -1.595 11.294 -0.369 1.00 0.00 C ATOM 962 O ARG A 63 -0.488 11.783 -0.480 1.00 0.00 O ATOM 963 CB ARG A 63 -1.737 11.417 2.119 1.00 0.00 C ATOM 964 CG ARG A 63 -2.846 12.462 2.248 1.00 0.00 C ATOM 965 CD ARG A 63 -2.613 13.300 3.506 1.00 0.00 C ATOM 966 NE ARG A 63 -1.482 14.242 3.273 1.00 0.00 N ATOM 967 CZ ARG A 63 -1.293 15.248 4.083 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.095 15.428 5.097 1.00 0.00 N ATOM 969 NH2 ARG A 63 -0.303 16.073 3.880 1.00 0.00 N ATOM 0 H ARG A 63 -0.407 9.329 1.637 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.064 10.285 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.694 10.804 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.769 11.909 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.859 13.104 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.818 11.972 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.516 13.855 3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.391 12.650 4.353 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.856 14.101 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.869 14.783 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.948 16.214 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.324 15.932 3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.156 16.859 4.513 1.00 0.00 H new ATOM 983 N PHE A 64 -2.478 11.394 -1.324 1.00 0.00 N ATOM 984 CA PHE A 64 -2.137 12.117 -2.581 1.00 0.00 C ATOM 985 C PHE A 64 -2.561 13.582 -2.465 1.00 0.00 C ATOM 986 O PHE A 64 -3.463 13.920 -1.723 1.00 0.00 O ATOM 987 CB PHE A 64 -2.869 11.469 -3.757 1.00 0.00 C ATOM 988 CG PHE A 64 -2.428 10.032 -3.899 1.00 0.00 C ATOM 989 CD1 PHE A 64 -1.194 9.733 -4.490 1.00 0.00 C ATOM 990 CD2 PHE A 64 -3.252 8.998 -3.440 1.00 0.00 C ATOM 991 CE1 PHE A 64 -0.785 8.401 -4.622 1.00 0.00 C ATOM 992 CE2 PHE A 64 -2.842 7.665 -3.572 1.00 0.00 C ATOM 993 CZ PHE A 64 -1.610 7.367 -4.163 1.00 0.00 C ATOM 0 H PHE A 64 -3.421 11.006 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.061 12.064 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.946 11.515 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.659 12.017 -4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.558 10.531 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.204 9.228 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.167 8.171 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.478 6.867 -3.217 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.295 6.339 -4.265 1.00 0.00 H new ATOM 1003 N THR A 65 -1.925 14.454 -3.199 1.00 0.00 N ATOM 1004 CA THR A 65 -2.299 15.895 -3.136 1.00 0.00 C ATOM 1005 C THR A 65 -3.567 16.116 -3.961 1.00 0.00 C ATOM 1006 O THR A 65 -3.946 15.293 -4.771 1.00 0.00 O ATOM 1007 CB THR A 65 -1.161 16.744 -3.709 1.00 0.00 C ATOM 1008 OG1 THR A 65 -1.349 18.100 -3.329 1.00 0.00 O ATOM 1009 CG2 THR A 65 -1.158 16.636 -5.235 1.00 0.00 C ATOM 0 H THR A 65 -1.163 14.231 -3.839 1.00 0.00 H new ATOM 0 HA THR A 65 -2.478 16.185 -2.101 1.00 0.00 H new ATOM 0 HB THR A 65 -0.208 16.385 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.621 18.646 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.347 17.241 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.015 15.595 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.110 16.995 -5.627 1.00 0.00 H new ATOM 1017 N THR A 66 -4.228 17.224 -3.761 1.00 0.00 N ATOM 1018 CA THR A 66 -5.471 17.500 -4.535 1.00 0.00 C ATOM 1019 C THR A 66 -5.621 19.008 -4.740 1.00 0.00 C ATOM 1020 O THR A 66 -6.069 19.462 -5.775 1.00 0.00 O ATOM 1021 CB THR A 66 -6.681 16.967 -3.763 1.00 0.00 C ATOM 1022 OG1 THR A 66 -6.242 16.051 -2.771 1.00 0.00 O ATOM 1023 CG2 THR A 66 -7.633 16.261 -4.730 1.00 0.00 C ATOM 0 H THR A 66 -3.961 17.949 -3.095 1.00 0.00 H new ATOM 0 HA THR A 66 -5.412 17.006 -5.505 1.00 0.00 H new ATOM 0 HB THR A 66 -7.202 17.796 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.864 16.545 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.494 15.882 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.969 16.967 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.115 15.431 -5.210 1.00 0.00 H new ATOM 1134 N SER A 74 -5.676 17.496 0.906 1.00 0.00 N ATOM 1135 CA SER A 74 -5.039 16.242 0.413 1.00 0.00 C ATOM 1136 C SER A 74 -6.114 15.175 0.201 1.00 0.00 C ATOM 1137 O SER A 74 -7.119 15.149 0.883 1.00 0.00 O ATOM 1138 CB SER A 74 -4.027 15.745 1.445 1.00 0.00 C ATOM 1139 OG SER A 74 -2.745 15.653 0.839 1.00 0.00 O ATOM 0 HA SER A 74 -4.530 16.439 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.992 16.427 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.331 14.771 1.830 1.00 0.00 H new ATOM 0 HG SER A 74 -2.810 15.129 0.013 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.907 14.290 -0.738 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.911 13.219 -0.994 1.00 0.00 C ATOM 1147 C LYS A 75 -6.360 11.880 -0.499 1.00 0.00 C ATOM 1148 O LYS A 75 -5.182 11.752 -0.231 1.00 0.00 O ATOM 1149 CB LYS A 75 -7.194 13.132 -2.496 1.00 0.00 C ATOM 1150 CG LYS A 75 -8.337 12.144 -2.751 1.00 0.00 C ATOM 1151 CD LYS A 75 -9.275 12.709 -3.822 1.00 0.00 C ATOM 1152 CE LYS A 75 -10.255 13.692 -3.176 1.00 0.00 C ATOM 1153 NZ LYS A 75 -11.261 14.125 -4.187 1.00 0.00 N ATOM 0 H LYS A 75 -5.084 14.264 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.835 13.451 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.458 14.116 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.298 12.811 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.936 11.184 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.889 11.964 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.697 13.212 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.821 11.899 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.754 13.221 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.717 14.557 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.927 14.793 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.777 14.589 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.782 13.295 -4.536 1.00 0.00 H new ATOM 1167 N PHE A 76 -7.196 10.884 -0.368 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.705 9.561 0.116 1.00 0.00 C ATOM 1169 C PHE A 76 -7.257 8.445 -0.775 1.00 0.00 C ATOM 1170 O PHE A 76 -8.441 8.375 -1.040 1.00 0.00 O ATOM 1171 CB PHE A 76 -7.167 9.346 1.557 1.00 0.00 C ATOM 1172 CG PHE A 76 -6.049 9.701 2.509 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -4.819 9.035 2.428 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -6.244 10.694 3.475 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -3.788 9.360 3.314 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -5.211 11.020 4.361 1.00 0.00 C ATOM 1177 CZ PHE A 76 -3.983 10.353 4.281 1.00 0.00 C ATOM 0 H PHE A 76 -8.194 10.929 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.616 9.542 0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.043 9.961 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.465 8.308 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.667 8.270 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.191 11.209 3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.841 8.845 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.361 11.787 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.186 10.604 4.965 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.400 7.587 -1.261 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.872 6.493 -2.156 1.00 0.00 C ATOM 1189 C ALA A 77 -6.061 5.219 -1.921 1.00 0.00 C ATOM 1190 O ALA A 77 -5.023 5.234 -1.289 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.713 6.929 -3.614 1.00 0.00 C ATOM 0 H ALA A 77 -5.397 7.597 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.920 6.289 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.057 6.131 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.305 7.827 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.663 7.140 -3.818 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.529 4.117 -2.442 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.801 2.827 -2.279 1.00 0.00 C ATOM 1199 C LEU A 78 -5.379 2.325 -3.660 1.00 0.00 C ATOM 1200 O LEU A 78 -5.957 2.697 -4.662 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.728 1.802 -1.623 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.002 0.462 -1.492 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.315 -0.158 -0.128 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.472 -0.482 -2.600 1.00 0.00 C ATOM 0 H LEU A 78 -7.394 4.056 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.921 2.970 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.040 2.156 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.632 1.680 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.927 0.621 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.798 -1.113 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.981 0.514 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.390 -0.317 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.955 -1.437 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.547 -0.641 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.249 -0.042 -3.572 1.00 0.00 H new ATOM 1216 N ILE A 79 -4.380 1.485 -3.731 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.934 0.969 -5.057 1.00 0.00 C ATOM 1218 C ILE A 79 -3.706 -0.540 -4.960 1.00 0.00 C ATOM 1219 O ILE A 79 -3.333 -1.052 -3.923 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.640 1.678 -5.462 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.994 2.927 -6.274 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.775 0.744 -6.312 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -1.734 3.748 -6.539 1.00 0.00 C ATOM 0 H ILE A 79 -3.855 1.135 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.697 1.163 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.083 1.959 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.456 2.639 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.724 3.529 -5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.856 1.257 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.529 -0.149 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.323 0.458 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.993 4.635 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.290 4.050 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.019 3.146 -7.099 1.00 0.00 H new ATOM 1235 N THR A 80 -3.935 -1.256 -6.027 1.00 0.00 N ATOM 1236 CA THR A 80 -3.740 -2.734 -5.993 1.00 0.00 C ATOM 1237 C THR A 80 -2.494 -3.112 -6.798 1.00 0.00 C ATOM 1238 O THR A 80 -2.452 -2.950 -8.002 1.00 0.00 O ATOM 1239 CB THR A 80 -4.965 -3.418 -6.606 1.00 0.00 C ATOM 1240 OG1 THR A 80 -6.116 -2.618 -6.374 1.00 0.00 O ATOM 1241 CG2 THR A 80 -5.163 -4.794 -5.969 1.00 0.00 C ATOM 0 H THR A 80 -4.249 -0.881 -6.922 1.00 0.00 H new ATOM 0 HA THR A 80 -3.613 -3.058 -4.960 1.00 0.00 H new ATOM 0 HB THR A 80 -4.812 -3.538 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.901 -3.053 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.036 -5.276 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.280 -5.408 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.314 -4.680 -4.896 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.478 -3.617 -6.151 1.00 0.00 N ATOM 1250 CA TRP A 81 -0.246 -4.002 -6.895 1.00 0.00 C ATOM 1251 C TRP A 81 -0.303 -5.487 -7.247 1.00 0.00 C ATOM 1252 O TRP A 81 -0.209 -6.333 -6.383 1.00 0.00 O ATOM 1253 CB TRP A 81 0.990 -3.761 -6.026 1.00 0.00 C ATOM 1254 CG TRP A 81 2.217 -4.070 -6.820 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.103 -5.049 -6.524 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.708 -3.428 -8.032 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.106 -5.048 -7.475 1.00 0.00 N ATOM 1258 CE2 TRP A 81 3.908 -4.069 -8.426 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.236 -2.364 -8.821 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.612 -3.668 -9.560 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 2.945 -1.958 -9.964 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.130 -2.610 -10.333 1.00 0.00 C ATOM 0 H TRP A 81 -1.448 -3.779 -5.144 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.185 -3.399 -7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.014 -2.726 -5.686 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.951 -4.388 -5.136 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.037 -5.722 -5.682 1.00 0.00 H new ATOM 0 HE1 TRP A 81 4.896 -5.693 -7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.323 -1.856 -8.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.525 -4.173 -9.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.575 -1.138 -10.562 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.669 -2.294 -11.214 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.441 -5.812 -8.503 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.478 -7.248 -8.900 1.00 0.00 C ATOM 1275 C ILE A 82 0.785 -7.565 -9.704 1.00 0.00 C ATOM 1276 O ILE A 82 0.832 -7.382 -10.904 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.713 -7.525 -9.757 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.945 -6.877 -9.114 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.925 -9.037 -9.862 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.119 -7.388 -7.679 1.00 0.00 C ATOM 0 H ILE A 82 -0.530 -5.146 -9.271 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.524 -7.874 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.567 -7.105 -10.752 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.836 -5.792 -9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.834 -7.107 -9.701 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.805 -9.239 -10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.050 -9.496 -10.323 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.071 -9.454 -8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.997 -6.922 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.249 -8.470 -7.691 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.235 -7.136 -7.093 1.00 0.00 H new ATOM 1292 N GLY A 83 1.812 -8.031 -9.047 1.00 0.00 N ATOM 1293 CA GLY A 83 3.078 -8.350 -9.766 1.00 0.00 C ATOM 1294 C GLY A 83 2.787 -9.289 -10.937 1.00 0.00 C ATOM 1295 O GLY A 83 1.874 -10.090 -10.893 1.00 0.00 O ATOM 0 H GLY A 83 1.829 -8.205 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.541 -7.433 -10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.788 -8.816 -9.082 1.00 0.00 H new ATOM 1299 N GLU A 84 3.558 -9.196 -11.986 1.00 0.00 N ATOM 1300 CA GLU A 84 3.328 -10.082 -13.163 1.00 0.00 C ATOM 1301 C GLU A 84 4.220 -11.320 -13.054 1.00 0.00 C ATOM 1302 O GLU A 84 4.706 -11.836 -14.041 1.00 0.00 O ATOM 1303 CB GLU A 84 3.666 -9.321 -14.447 1.00 0.00 C ATOM 1304 CG GLU A 84 2.746 -9.790 -15.575 1.00 0.00 C ATOM 1305 CD GLU A 84 3.344 -9.385 -16.924 1.00 0.00 C ATOM 1306 OE1 GLU A 84 4.254 -8.572 -16.927 1.00 0.00 O ATOM 1307 OE2 GLU A 84 2.883 -9.895 -17.932 1.00 0.00 O ATOM 0 H GLU A 84 4.337 -8.545 -12.079 1.00 0.00 H new ATOM 0 HA GLU A 84 2.283 -10.390 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.548 -8.249 -14.289 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.708 -9.490 -14.719 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.621 -10.872 -15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.756 -9.350 -15.458 1.00 0.00 H new ATOM 1314 N ASP A 85 4.440 -11.803 -11.861 1.00 0.00 N ATOM 1315 CA ASP A 85 5.300 -13.009 -11.690 1.00 0.00 C ATOM 1316 C ASP A 85 4.890 -13.746 -10.414 1.00 0.00 C ATOM 1317 O ASP A 85 5.681 -14.441 -9.808 1.00 0.00 O ATOM 1318 CB ASP A 85 6.765 -12.581 -11.585 1.00 0.00 C ATOM 1319 CG ASP A 85 7.576 -13.264 -12.688 1.00 0.00 C ATOM 1320 OD1 ASP A 85 7.376 -14.449 -12.895 1.00 0.00 O ATOM 1321 OD2 ASP A 85 8.383 -12.588 -13.307 1.00 0.00 O ATOM 0 H ASP A 85 4.061 -11.414 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 85 5.177 -13.670 -12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.846 -11.498 -11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.164 -12.849 -10.607 1.00 0.00 H new ATOM 1326 N VAL A 86 3.664 -13.598 -9.996 1.00 0.00 N ATOM 1327 CA VAL A 86 3.213 -14.287 -8.755 1.00 0.00 C ATOM 1328 C VAL A 86 2.471 -15.576 -9.120 1.00 0.00 C ATOM 1329 O VAL A 86 2.002 -15.743 -10.229 1.00 0.00 O ATOM 1330 CB VAL A 86 2.282 -13.360 -7.973 1.00 0.00 C ATOM 1331 CG1 VAL A 86 0.893 -13.373 -8.613 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.180 -13.839 -6.522 1.00 0.00 C ATOM 0 H VAL A 86 2.955 -13.030 -10.460 1.00 0.00 H new ATOM 0 HA VAL A 86 4.079 -14.536 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 86 2.682 -12.346 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.229 -12.712 -8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.965 -13.029 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.494 -14.387 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.516 -13.177 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.782 -14.854 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.169 -13.828 -6.065 1.00 0.00 H new ATOM 1342 N SER A 87 2.367 -16.492 -8.195 1.00 0.00 N ATOM 1343 CA SER A 87 1.661 -17.773 -8.484 1.00 0.00 C ATOM 1344 C SER A 87 0.154 -17.529 -8.585 1.00 0.00 C ATOM 1345 O SER A 87 -0.311 -16.409 -8.509 1.00 0.00 O ATOM 1346 CB SER A 87 1.939 -18.770 -7.358 1.00 0.00 C ATOM 1347 OG SER A 87 1.799 -18.114 -6.105 1.00 0.00 O ATOM 0 H SER A 87 2.741 -16.408 -7.250 1.00 0.00 H new ATOM 0 HA SER A 87 2.022 -18.175 -9.431 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.247 -19.610 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.945 -19.178 -7.458 1.00 0.00 H new ATOM 0 HG SER A 87 2.502 -18.421 -5.495 1.00 0.00 H new ATOM 1353 N GLY A 88 -0.613 -18.571 -8.761 1.00 0.00 N ATOM 1354 CA GLY A 88 -2.091 -18.407 -8.873 1.00 0.00 C ATOM 1355 C GLY A 88 -2.717 -18.354 -7.477 1.00 0.00 C ATOM 1356 O GLY A 88 -3.838 -17.915 -7.305 1.00 0.00 O ATOM 0 H GLY A 88 -0.278 -19.532 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.324 -17.494 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.516 -19.235 -9.440 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.010 -18.806 -6.478 1.00 0.00 N ATOM 1361 CA LEU A 89 -2.574 -18.786 -5.099 1.00 0.00 C ATOM 1362 C LEU A 89 -3.208 -17.421 -4.823 1.00 0.00 C ATOM 1363 O LEU A 89 -4.376 -17.324 -4.504 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.455 -19.042 -4.086 1.00 0.00 C ATOM 1365 CG LEU A 89 -0.943 -20.475 -4.241 1.00 0.00 C ATOM 1366 CD1 LEU A 89 0.565 -20.508 -3.990 1.00 0.00 C ATOM 1367 CD2 LEU A 89 -1.648 -21.380 -3.229 1.00 0.00 C ATOM 0 H LEU A 89 -1.067 -19.188 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.333 -19.563 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.640 -18.335 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.824 -18.884 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.151 -20.828 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.930 -21.529 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.068 -19.863 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.774 -20.155 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.284 -22.401 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.440 -21.027 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.723 -21.357 -3.407 1.00 0.00 H new ATOM 1379 N GLN A 90 -2.452 -16.367 -4.946 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.019 -15.013 -4.692 1.00 0.00 C ATOM 1381 C GLN A 90 -4.215 -14.785 -5.620 1.00 0.00 C ATOM 1382 O GLN A 90 -5.145 -14.083 -5.281 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.948 -13.956 -4.961 1.00 0.00 C ATOM 1384 CG GLN A 90 -0.634 -14.391 -4.309 1.00 0.00 C ATOM 1385 CD GLN A 90 -0.914 -14.918 -2.900 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.611 -14.288 -2.131 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -0.397 -16.057 -2.529 1.00 0.00 N ATOM 0 H GLN A 90 -1.467 -16.384 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.346 -14.938 -3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.810 -13.827 -6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.264 -12.992 -4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.156 -15.165 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.058 -13.550 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.188 -16.586 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.578 -16.418 -1.593 1.00 0.00 H new ATOM 1396 N ARG A 91 -4.201 -15.365 -6.787 1.00 0.00 N ATOM 1397 CA ARG A 91 -5.343 -15.165 -7.723 1.00 0.00 C ATOM 1398 C ARG A 91 -6.660 -15.318 -6.959 1.00 0.00 C ATOM 1399 O ARG A 91 -7.493 -14.433 -6.954 1.00 0.00 O ATOM 1400 CB ARG A 91 -5.279 -16.206 -8.842 1.00 0.00 C ATOM 1401 CG ARG A 91 -6.133 -15.739 -10.022 1.00 0.00 C ATOM 1402 CD ARG A 91 -5.252 -14.997 -11.028 1.00 0.00 C ATOM 1403 NE ARG A 91 -6.098 -14.086 -11.851 1.00 0.00 N ATOM 1404 CZ ARG A 91 -5.540 -13.144 -12.562 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -4.243 -13.001 -12.554 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -6.280 -12.347 -13.283 1.00 0.00 N ATOM 0 H ARG A 91 -3.453 -15.966 -7.133 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.286 -14.166 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.247 -16.350 -9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.637 -17.169 -8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.609 -16.595 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.931 -15.086 -9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.486 -14.425 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.735 -15.710 -11.670 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.112 -14.199 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.665 -13.625 -11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.808 -12.265 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.294 -12.460 -13.291 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.845 -11.611 -13.839 1.00 0.00 H new ATOM 1420 N ALA A 92 -6.857 -16.435 -6.316 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.124 -16.644 -5.557 1.00 0.00 C ATOM 1422 C ALA A 92 -8.045 -15.926 -4.207 1.00 0.00 C ATOM 1423 O ALA A 92 -9.028 -15.413 -3.709 1.00 0.00 O ATOM 1424 CB ALA A 92 -8.336 -18.141 -5.325 1.00 0.00 C ATOM 0 H ALA A 92 -6.197 -17.212 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.958 -16.240 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.262 -18.296 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.399 -18.653 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.499 -18.543 -4.754 1.00 0.00 H new ATOM 1430 N LYS A 93 -6.888 -15.890 -3.606 1.00 0.00 N ATOM 1431 CA LYS A 93 -6.753 -15.212 -2.285 1.00 0.00 C ATOM 1432 C LYS A 93 -6.904 -13.698 -2.459 1.00 0.00 C ATOM 1433 O LYS A 93 -7.802 -13.088 -1.912 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.375 -15.519 -1.696 1.00 0.00 C ATOM 1435 CG LYS A 93 -5.541 -16.257 -0.366 1.00 0.00 C ATOM 1436 CD LYS A 93 -4.168 -16.698 0.146 1.00 0.00 C ATOM 1437 CE LYS A 93 -4.346 -17.636 1.340 1.00 0.00 C ATOM 1438 NZ LYS A 93 -3.073 -18.370 1.589 1.00 0.00 N ATOM 0 H LYS A 93 -6.029 -16.301 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.531 -15.576 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.798 -16.128 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.819 -14.594 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.022 -15.608 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.188 -17.124 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.617 -17.203 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.580 -15.828 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.629 -17.066 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.153 -18.342 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.264 -19.206 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.663 -18.671 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.403 -17.746 2.082 1.00 0.00 H new ATOM 1452 N THR A 94 -6.032 -13.088 -3.213 1.00 0.00 N ATOM 1453 CA THR A 94 -6.122 -11.614 -3.418 1.00 0.00 C ATOM 1454 C THR A 94 -7.572 -11.222 -3.701 1.00 0.00 C ATOM 1455 O THR A 94 -8.109 -10.315 -3.096 1.00 0.00 O ATOM 1456 CB THR A 94 -5.245 -11.213 -4.608 1.00 0.00 C ATOM 1457 OG1 THR A 94 -3.877 -11.404 -4.271 1.00 0.00 O ATOM 1458 CG2 THR A 94 -5.486 -9.744 -4.955 1.00 0.00 C ATOM 0 H THR A 94 -5.260 -13.547 -3.697 1.00 0.00 H new ATOM 0 HA THR A 94 -5.778 -11.101 -2.520 1.00 0.00 H new ATOM 0 HB THR A 94 -5.499 -11.831 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.585 -10.687 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.860 -9.463 -5.802 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.535 -9.599 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.235 -9.121 -4.096 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.209 -11.894 -4.618 1.00 0.00 N ATOM 1467 CA GLY A 95 -9.623 -11.558 -4.948 1.00 0.00 C ATOM 1468 C GLY A 95 -10.470 -11.519 -3.673 1.00 0.00 C ATOM 1469 O GLY A 95 -11.089 -10.526 -3.354 1.00 0.00 O ATOM 0 H GLY A 95 -7.811 -12.664 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.667 -10.592 -5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.028 -12.297 -5.640 1.00 0.00 H new ATOM 1473 N THR A 96 -10.533 -12.604 -2.962 1.00 0.00 N ATOM 1474 CA THR A 96 -11.368 -12.638 -1.729 1.00 0.00 C ATOM 1475 C THR A 96 -10.824 -11.677 -0.665 1.00 0.00 C ATOM 1476 O THR A 96 -11.569 -10.932 -0.059 1.00 0.00 O ATOM 1477 CB THR A 96 -11.375 -14.061 -1.166 1.00 0.00 C ATOM 1478 OG1 THR A 96 -10.041 -14.461 -0.879 1.00 0.00 O ATOM 1479 CG2 THR A 96 -11.986 -15.016 -2.192 1.00 0.00 C ATOM 0 H THR A 96 -10.043 -13.472 -3.179 1.00 0.00 H new ATOM 0 HA THR A 96 -12.380 -12.327 -1.989 1.00 0.00 H new ATOM 0 HB THR A 96 -11.968 -14.087 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.787 -14.138 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.990 -16.029 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.009 -14.709 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.396 -14.992 -3.108 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.547 -11.713 -0.393 1.00 0.00 N ATOM 1488 CA ASP A 97 -8.982 -10.834 0.675 1.00 0.00 C ATOM 1489 C ASP A 97 -9.013 -9.361 0.267 1.00 0.00 C ATOM 1490 O ASP A 97 -9.315 -8.500 1.069 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.535 -11.247 0.947 1.00 0.00 C ATOM 1492 CG ASP A 97 -7.344 -12.719 0.578 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -8.305 -13.463 0.680 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -6.241 -13.077 0.200 1.00 0.00 O ATOM 0 H ASP A 97 -8.869 -12.313 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.592 -10.951 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.853 -10.625 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.293 -11.091 1.998 1.00 0.00 H new ATOM 1499 N LYS A 98 -8.699 -9.050 -0.957 1.00 0.00 N ATOM 1500 CA LYS A 98 -8.712 -7.619 -1.365 1.00 0.00 C ATOM 1501 C LYS A 98 -10.126 -7.055 -1.202 1.00 0.00 C ATOM 1502 O LYS A 98 -10.319 -5.861 -1.079 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.253 -7.498 -2.819 1.00 0.00 C ATOM 1504 CG LYS A 98 -9.341 -8.013 -3.762 1.00 0.00 C ATOM 1505 CD LYS A 98 -9.999 -6.834 -4.482 1.00 0.00 C ATOM 1506 CE LYS A 98 -11.353 -7.271 -5.045 1.00 0.00 C ATOM 1507 NZ LYS A 98 -11.502 -6.759 -6.436 1.00 0.00 N ATOM 0 H LYS A 98 -8.437 -9.714 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.031 -7.049 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.024 -6.458 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.335 -8.067 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.910 -8.701 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.089 -8.572 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.132 -6.001 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.355 -6.481 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.428 -8.358 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.159 -6.891 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.422 -7.056 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.448 -5.720 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.740 -7.143 -7.031 1.00 0.00 H new ATOM 1521 N THR A 99 -11.117 -7.905 -1.196 1.00 0.00 N ATOM 1522 CA THR A 99 -12.515 -7.418 -1.035 1.00 0.00 C ATOM 1523 C THR A 99 -12.744 -7.000 0.419 1.00 0.00 C ATOM 1524 O THR A 99 -13.315 -5.964 0.694 1.00 0.00 O ATOM 1525 CB THR A 99 -13.492 -8.538 -1.405 1.00 0.00 C ATOM 1526 OG1 THR A 99 -13.124 -9.087 -2.663 1.00 0.00 O ATOM 1527 CG2 THR A 99 -14.910 -7.973 -1.486 1.00 0.00 C ATOM 0 H THR A 99 -11.018 -8.915 -1.296 1.00 0.00 H new ATOM 0 HA THR A 99 -12.680 -6.562 -1.690 1.00 0.00 H new ATOM 0 HB THR A 99 -13.458 -9.318 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.367 -9.698 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.605 -8.770 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.190 -7.552 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.948 -7.193 -2.246 1.00 0.00 H new ATOM 1535 N LEU A 100 -12.304 -7.799 1.354 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.499 -7.447 2.789 1.00 0.00 C ATOM 1537 C LEU A 100 -11.826 -6.104 3.084 1.00 0.00 C ATOM 1538 O LEU A 100 -12.443 -5.188 3.590 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.871 -8.530 3.675 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.808 -9.738 3.772 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -12.759 -10.533 2.467 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -12.356 -10.636 4.927 1.00 0.00 C ATOM 0 H LEU A 100 -11.818 -8.680 1.185 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.566 -7.376 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.910 -8.837 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.677 -8.130 4.670 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.827 -9.393 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.426 -11.392 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.075 -9.896 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.741 -10.879 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.020 -11.497 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.337 -10.978 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.388 -10.073 5.860 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.562 -5.982 2.783 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.849 -4.701 3.059 1.00 0.00 C ATOM 1556 C VAL A 101 -10.492 -3.564 2.261 1.00 0.00 C ATOM 1557 O VAL A 101 -10.453 -2.416 2.658 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.381 -4.838 2.651 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -8.223 -4.465 1.176 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.525 -3.902 3.507 1.00 0.00 C ATOM 0 H VAL A 101 -9.992 -6.713 2.358 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.916 -4.476 4.123 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.057 -5.868 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.177 -4.563 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.833 -5.131 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.547 -3.435 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.479 -3.999 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.850 -2.872 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.636 -4.167 4.558 1.00 0.00 H new ATOM 1570 N LYS A 102 -11.082 -3.870 1.138 1.00 0.00 N ATOM 1571 CA LYS A 102 -11.721 -2.802 0.318 1.00 0.00 C ATOM 1572 C LYS A 102 -12.983 -2.294 1.021 1.00 0.00 C ATOM 1573 O LYS A 102 -13.288 -1.118 0.994 1.00 0.00 O ATOM 1574 CB LYS A 102 -12.094 -3.369 -1.053 1.00 0.00 C ATOM 1575 CG LYS A 102 -13.326 -2.640 -1.592 1.00 0.00 C ATOM 1576 CD LYS A 102 -13.450 -2.887 -3.096 1.00 0.00 C ATOM 1577 CE LYS A 102 -14.929 -2.943 -3.484 1.00 0.00 C ATOM 1578 NZ LYS A 102 -15.050 -3.220 -4.944 1.00 0.00 N ATOM 0 H LYS A 102 -11.149 -4.812 0.753 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.021 -1.975 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.259 -3.254 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.297 -4.437 -0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.222 -2.991 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.244 -1.571 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.948 -2.093 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.957 -3.822 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.437 -3.720 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.416 -1.999 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.055 -3.258 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.579 -2.464 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.600 -4.132 -5.163 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.723 -3.169 1.644 1.00 0.00 N ATOM 1593 CA GLU A 103 -14.967 -2.734 2.340 1.00 0.00 C ATOM 1594 C GLU A 103 -14.605 -1.968 3.615 1.00 0.00 C ATOM 1595 O GLU A 103 -15.387 -1.191 4.125 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.803 -3.962 2.705 1.00 0.00 C ATOM 1597 CG GLU A 103 -17.209 -3.816 2.118 1.00 0.00 C ATOM 1598 CD GLU A 103 -17.147 -3.968 0.598 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -16.081 -3.757 0.044 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -18.166 -4.295 0.013 1.00 0.00 O ATOM 0 H GLU A 103 -13.520 -4.167 1.701 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.541 -2.084 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.329 -4.865 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.859 -4.068 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.872 -4.570 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.624 -2.843 2.380 1.00 0.00 H new ATOM 1607 N VAL A 104 -13.428 -2.182 4.135 1.00 0.00 N ATOM 1608 CA VAL A 104 -13.023 -1.465 5.376 1.00 0.00 C ATOM 1609 C VAL A 104 -12.244 -0.201 5.006 1.00 0.00 C ATOM 1610 O VAL A 104 -11.336 0.205 5.704 1.00 0.00 O ATOM 1611 CB VAL A 104 -12.138 -2.378 6.226 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -11.676 -1.624 7.475 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -12.937 -3.614 6.646 1.00 0.00 C ATOM 0 H VAL A 104 -12.730 -2.821 3.755 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.913 -1.190 5.942 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.269 -2.685 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.045 -2.275 8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.108 -0.742 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.545 -1.317 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.307 -4.266 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.806 -3.305 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.268 -4.152 5.758 1.00 0.00 H new ATOM 1623 N VAL A 105 -12.591 0.424 3.912 1.00 0.00 N ATOM 1624 CA VAL A 105 -11.868 1.661 3.496 1.00 0.00 C ATOM 1625 C VAL A 105 -12.873 2.755 3.140 1.00 0.00 C ATOM 1626 O VAL A 105 -13.413 2.792 2.052 1.00 0.00 O ATOM 1627 CB VAL A 105 -10.993 1.353 2.281 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -10.631 2.654 1.563 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -9.712 0.654 2.742 1.00 0.00 C ATOM 0 H VAL A 105 -13.344 0.131 3.289 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.242 2.006 4.319 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.540 0.704 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.007 2.431 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.542 3.154 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.085 3.306 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.086 0.433 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.168 1.305 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.968 -0.275 3.251 1.00 0.00 H new ATOM 1639 N GLN A 106 -13.115 3.650 4.056 1.00 0.00 N ATOM 1640 CA GLN A 106 -14.070 4.761 3.793 1.00 0.00 C ATOM 1641 C GLN A 106 -13.320 6.087 3.911 1.00 0.00 C ATOM 1642 O GLN A 106 -13.527 7.000 3.137 1.00 0.00 O ATOM 1643 CB GLN A 106 -15.201 4.719 4.824 1.00 0.00 C ATOM 1644 CG GLN A 106 -14.665 4.177 6.151 1.00 0.00 C ATOM 1645 CD GLN A 106 -14.584 2.650 6.083 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -13.535 2.097 5.820 1.00 0.00 O ATOM 1647 NE2 GLN A 106 -15.656 1.942 6.312 1.00 0.00 N ATOM 0 H GLN A 106 -12.689 3.659 4.983 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.494 4.660 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -15.613 5.718 4.967 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -16.013 4.088 4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.679 4.595 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -15.317 4.481 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.537 2.407 6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.613 0.924 6.270 1.00 0.00 H new ATOM 1656 N ASN A 107 -12.464 6.201 4.892 1.00 0.00 N ATOM 1657 CA ASN A 107 -11.710 7.475 5.078 1.00 0.00 C ATOM 1658 C ASN A 107 -10.798 7.728 3.871 1.00 0.00 C ATOM 1659 O ASN A 107 -9.674 8.168 4.009 1.00 0.00 O ATOM 1660 CB ASN A 107 -10.875 7.410 6.359 1.00 0.00 C ATOM 1661 CG ASN A 107 -9.965 6.183 6.332 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -10.099 5.325 5.482 1.00 0.00 O ATOM 1663 ND2 ASN A 107 -9.033 6.066 7.240 1.00 0.00 N ATOM 0 H ASN A 107 -12.255 5.469 5.571 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.422 8.296 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.275 8.315 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.531 7.366 7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.416 5.253 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.922 6.787 7.953 1.00 0.00 H new ATOM 1670 N PHE A 108 -11.285 7.468 2.688 1.00 0.00 N ATOM 1671 CA PHE A 108 -10.466 7.705 1.462 1.00 0.00 C ATOM 1672 C PHE A 108 -11.361 8.235 0.342 1.00 0.00 C ATOM 1673 O PHE A 108 -12.564 8.326 0.482 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.783 6.405 1.009 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.737 5.523 0.221 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -12.117 5.533 0.480 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -10.227 4.686 -0.779 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -12.975 4.711 -0.260 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -11.087 3.864 -1.517 1.00 0.00 C ATOM 1680 CZ PHE A 108 -12.461 3.877 -1.257 1.00 0.00 C ATOM 0 H PHE A 108 -12.220 7.099 2.516 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.695 8.440 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.914 6.643 0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.418 5.861 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.517 6.175 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.166 4.675 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -14.036 4.721 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -10.689 3.220 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 108 -13.125 3.243 -1.826 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.781 8.595 -0.769 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.596 9.126 -1.895 1.00 0.00 C ATOM 1692 C ALA A 109 -12.074 7.967 -2.770 1.00 0.00 C ATOM 1693 O ALA A 109 -13.256 7.787 -2.989 1.00 0.00 O ATOM 1694 CB ALA A 109 -10.744 10.081 -2.733 1.00 0.00 C ATOM 0 H ALA A 109 -9.778 8.544 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.459 9.661 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.340 10.471 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.403 10.907 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.881 9.546 -3.129 1.00 0.00 H new ATOM 1700 N LYS A 110 -11.164 7.180 -3.274 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.565 6.034 -4.135 1.00 0.00 C ATOM 1702 C LYS A 110 -10.405 5.041 -4.229 1.00 0.00 C ATOM 1703 O LYS A 110 -9.288 5.341 -3.854 1.00 0.00 O ATOM 1704 CB LYS A 110 -11.915 6.552 -5.534 1.00 0.00 C ATOM 1705 CG LYS A 110 -12.103 5.370 -6.490 1.00 0.00 C ATOM 1706 CD LYS A 110 -12.809 5.837 -7.769 1.00 0.00 C ATOM 1707 CE LYS A 110 -11.802 6.533 -8.688 1.00 0.00 C ATOM 1708 NZ LYS A 110 -11.461 5.629 -9.823 1.00 0.00 N ATOM 0 H LYS A 110 -10.160 7.282 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.433 5.535 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -12.827 7.148 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -11.123 7.205 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.135 4.934 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -12.689 4.589 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -13.255 4.985 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -13.621 6.520 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -12.221 7.466 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.901 6.790 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.440 5.432 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.986 4.737 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.718 6.087 -10.721 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.657 3.860 -4.727 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.566 2.851 -4.846 1.00 0.00 C ATOM 1724 C GLU A 111 -9.134 2.757 -6.308 1.00 0.00 C ATOM 1725 O GLU A 111 -9.896 3.055 -7.206 1.00 0.00 O ATOM 1726 CB GLU A 111 -10.072 1.486 -4.372 1.00 0.00 C ATOM 1727 CG GLU A 111 -11.592 1.417 -4.532 1.00 0.00 C ATOM 1728 CD GLU A 111 -11.966 1.677 -5.992 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -11.245 1.211 -6.859 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -12.967 2.336 -6.219 1.00 0.00 O ATOM 0 H GLU A 111 -11.571 3.551 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.719 3.151 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.599 0.691 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.799 1.328 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.956 0.438 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.070 2.154 -3.887 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.915 2.360 -6.553 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.432 2.265 -7.959 1.00 0.00 C ATOM 1739 C PHE A 112 -6.819 0.887 -8.214 1.00 0.00 C ATOM 1740 O PHE A 112 -6.363 0.219 -7.308 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.371 3.340 -8.196 1.00 0.00 C ATOM 1742 CG PHE A 112 -7.017 4.703 -8.153 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.978 5.054 -9.108 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -6.653 5.617 -7.157 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -8.576 6.318 -9.067 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -7.251 6.881 -7.115 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.213 7.232 -8.070 1.00 0.00 C ATOM 0 H PHE A 112 -7.234 2.098 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.272 2.411 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.592 3.271 -7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.890 3.184 -9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -8.258 4.349 -9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.910 5.346 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -9.317 6.589 -9.804 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.971 7.586 -6.346 1.00 0.00 H new ATOM 0 HZ PHE A 112 -8.675 8.208 -8.038 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.791 0.472 -9.452 1.00 0.00 N ATOM 1758 CA VAL A 113 -6.193 -0.849 -9.795 1.00 0.00 C ATOM 1759 C VAL A 113 -4.962 -0.601 -10.666 1.00 0.00 C ATOM 1760 O VAL A 113 -4.945 0.306 -11.474 1.00 0.00 O ATOM 1761 CB VAL A 113 -7.210 -1.691 -10.568 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -6.646 -3.096 -10.789 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -8.508 -1.785 -9.763 1.00 0.00 C ATOM 0 H VAL A 113 -7.160 0.996 -10.246 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.913 -1.384 -8.888 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.411 -1.224 -11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.370 -3.696 -11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.720 -3.031 -11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.446 -3.563 -9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -9.234 -2.385 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.306 -2.253 -8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.910 -0.785 -9.603 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.925 -1.377 -10.502 1.00 0.00 N ATOM 1774 CA ILE A 114 -2.700 -1.149 -11.320 1.00 0.00 C ATOM 1775 C ILE A 114 -2.150 -2.478 -11.840 1.00 0.00 C ATOM 1776 O ILE A 114 -2.349 -3.523 -11.254 1.00 0.00 O ATOM 1777 CB ILE A 114 -1.638 -0.468 -10.450 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -2.256 0.738 -9.719 1.00 0.00 C ATOM 1779 CG2 ILE A 114 -0.463 -0.016 -11.318 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -2.621 1.859 -10.704 1.00 0.00 C ATOM 0 H ILE A 114 -3.873 -2.153 -9.842 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.953 -0.516 -12.171 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.273 -1.179 -9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.148 0.421 -9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.552 1.117 -8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.287 0.467 -10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.021 -0.882 -11.812 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.816 0.689 -12.070 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.055 2.696 -10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.723 2.192 -11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.344 1.485 -11.429 1.00 0.00 H new ATOM 1792 N SER A 115 -1.447 -2.433 -12.940 1.00 0.00 N ATOM 1793 CA SER A 115 -0.860 -3.675 -13.514 1.00 0.00 C ATOM 1794 C SER A 115 0.541 -3.368 -14.054 1.00 0.00 C ATOM 1795 O SER A 115 1.193 -4.216 -14.630 1.00 0.00 O ATOM 1796 CB SER A 115 -1.747 -4.181 -14.653 1.00 0.00 C ATOM 1797 OG SER A 115 -3.038 -4.488 -14.142 1.00 0.00 O ATOM 0 H SER A 115 -1.254 -1.582 -13.468 1.00 0.00 H new ATOM 0 HA SER A 115 -0.795 -4.440 -12.740 1.00 0.00 H new ATOM 0 HB2 SER A 115 -1.823 -3.424 -15.434 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.304 -5.066 -15.109 1.00 0.00 H new ATOM 0 HG SER A 115 -3.610 -4.811 -14.870 1.00 0.00 H new ATOM 1803 N ASP A 116 1.009 -2.162 -13.873 1.00 0.00 N ATOM 1804 CA ASP A 116 2.366 -1.803 -14.377 1.00 0.00 C ATOM 1805 C ASP A 116 3.047 -0.856 -13.384 1.00 0.00 C ATOM 1806 O ASP A 116 2.397 -0.164 -12.628 1.00 0.00 O ATOM 1807 CB ASP A 116 2.238 -1.112 -15.736 1.00 0.00 C ATOM 1808 CG ASP A 116 0.764 -0.832 -16.031 1.00 0.00 C ATOM 1809 OD1 ASP A 116 0.079 -0.362 -15.135 1.00 0.00 O ATOM 1810 OD2 ASP A 116 0.344 -1.090 -17.146 1.00 0.00 O ATOM 0 H ASP A 116 0.510 -1.410 -13.398 1.00 0.00 H new ATOM 0 HA ASP A 116 2.965 -2.707 -14.484 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.803 -0.180 -15.736 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.663 -1.742 -16.517 1.00 0.00 H new ATOM 1815 N ARG A 117 4.353 -0.824 -13.377 1.00 0.00 N ATOM 1816 CA ARG A 117 5.070 0.075 -12.428 1.00 0.00 C ATOM 1817 C ARG A 117 4.951 1.527 -12.898 1.00 0.00 C ATOM 1818 O ARG A 117 4.891 2.442 -12.101 1.00 0.00 O ATOM 1819 CB ARG A 117 6.547 -0.321 -12.365 1.00 0.00 C ATOM 1820 CG ARG A 117 7.053 -0.184 -10.927 1.00 0.00 C ATOM 1821 CD ARG A 117 8.566 0.038 -10.934 1.00 0.00 C ATOM 1822 NE ARG A 117 9.238 -1.125 -11.578 1.00 0.00 N ATOM 1823 CZ ARG A 117 10.482 -1.031 -11.960 1.00 0.00 C ATOM 1824 NH1 ARG A 117 11.138 0.082 -11.777 1.00 0.00 N ATOM 1825 NH2 ARG A 117 11.070 -2.050 -12.525 1.00 0.00 N ATOM 0 H ARG A 117 4.953 -1.380 -13.986 1.00 0.00 H new ATOM 0 HA ARG A 117 4.624 -0.020 -11.438 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.674 -1.347 -12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.133 0.314 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.555 0.651 -10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.810 -1.081 -10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.807 0.954 -11.473 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.930 0.163 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 117 8.725 -1.995 -11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.678 0.878 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.111 0.156 -12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.557 -2.920 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.043 -1.976 -12.824 1.00 0.00 H new ATOM 1839 N LYS A 118 4.914 1.747 -14.184 1.00 0.00 N ATOM 1840 CA LYS A 118 4.795 3.142 -14.694 1.00 0.00 C ATOM 1841 C LYS A 118 3.390 3.664 -14.393 1.00 0.00 C ATOM 1842 O LYS A 118 3.097 4.829 -14.570 1.00 0.00 O ATOM 1843 CB LYS A 118 5.032 3.157 -16.206 1.00 0.00 C ATOM 1844 CG LYS A 118 6.536 3.133 -16.487 1.00 0.00 C ATOM 1845 CD LYS A 118 7.060 4.566 -16.589 1.00 0.00 C ATOM 1846 CE LYS A 118 8.557 4.543 -16.899 1.00 0.00 C ATOM 1847 NZ LYS A 118 9.058 3.141 -16.817 1.00 0.00 N ATOM 0 H LYS A 118 4.961 1.023 -14.901 1.00 0.00 H new ATOM 0 HA LYS A 118 5.537 3.776 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.551 2.295 -16.669 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.583 4.047 -16.646 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.057 2.600 -15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.735 2.595 -17.414 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.525 5.105 -17.371 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.880 5.097 -15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.740 4.949 -17.894 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.096 5.175 -16.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.083 3.128 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.865 2.758 -15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.576 2.558 -17.530 1.00 0.00 H new ATOM 1861 N GLU A 119 2.521 2.806 -13.939 1.00 0.00 N ATOM 1862 CA GLU A 119 1.134 3.241 -13.624 1.00 0.00 C ATOM 1863 C GLU A 119 1.079 3.783 -12.192 1.00 0.00 C ATOM 1864 O GLU A 119 0.046 4.212 -11.718 1.00 0.00 O ATOM 1865 CB GLU A 119 0.193 2.045 -13.757 1.00 0.00 C ATOM 1866 CG GLU A 119 -0.329 1.955 -15.191 1.00 0.00 C ATOM 1867 CD GLU A 119 -1.325 0.799 -15.301 1.00 0.00 C ATOM 1868 OE1 GLU A 119 -2.150 0.667 -14.412 1.00 0.00 O ATOM 1869 OE2 GLU A 119 -1.244 0.064 -16.271 1.00 0.00 O ATOM 0 H GLU A 119 2.713 1.818 -13.772 1.00 0.00 H new ATOM 0 HA GLU A 119 0.829 4.026 -14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.717 1.127 -13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.641 2.147 -13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.810 2.891 -15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.500 1.802 -15.882 1.00 0.00 H new ATOM 1876 N LEU A 120 2.187 3.773 -11.502 1.00 0.00 N ATOM 1877 CA LEU A 120 2.210 4.292 -10.106 1.00 0.00 C ATOM 1878 C LEU A 120 2.652 5.750 -10.131 1.00 0.00 C ATOM 1879 O LEU A 120 2.778 6.395 -9.110 1.00 0.00 O ATOM 1880 CB LEU A 120 3.206 3.479 -9.274 1.00 0.00 C ATOM 1881 CG LEU A 120 2.466 2.418 -8.460 1.00 0.00 C ATOM 1882 CD1 LEU A 120 1.706 3.090 -7.317 1.00 0.00 C ATOM 1883 CD2 LEU A 120 1.479 1.671 -9.361 1.00 0.00 C ATOM 0 H LEU A 120 3.082 3.426 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 120 1.217 4.209 -9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.936 3.003 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.760 4.140 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 120 3.187 1.710 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.178 2.333 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.410 3.617 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.987 3.800 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.953 0.915 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.758 2.376 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.022 1.189 -10.174 1.00 0.00 H new ATOM 1895 N GLU A 121 2.893 6.270 -11.298 1.00 0.00 N ATOM 1896 CA GLU A 121 3.333 7.680 -11.412 1.00 0.00 C ATOM 1897 C GLU A 121 2.230 8.608 -10.897 1.00 0.00 C ATOM 1898 O GLU A 121 1.056 8.337 -11.046 1.00 0.00 O ATOM 1899 CB GLU A 121 3.615 7.986 -12.879 1.00 0.00 C ATOM 1900 CG GLU A 121 4.673 7.016 -13.411 1.00 0.00 C ATOM 1901 CD GLU A 121 6.037 7.709 -13.428 1.00 0.00 C ATOM 1902 OE1 GLU A 121 6.581 7.930 -12.359 1.00 0.00 O ATOM 1903 OE2 GLU A 121 6.515 8.006 -14.511 1.00 0.00 O ATOM 0 H GLU A 121 2.803 5.773 -12.184 1.00 0.00 H new ATOM 0 HA GLU A 121 4.234 7.837 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.699 7.896 -13.462 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.962 9.014 -12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.713 6.125 -12.784 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.408 6.687 -14.416 1.00 0.00 H new ATOM 1910 N GLU A 122 2.599 9.702 -10.289 1.00 0.00 N ATOM 1911 CA GLU A 122 1.569 10.643 -9.763 1.00 0.00 C ATOM 1912 C GLU A 122 0.728 11.183 -10.922 1.00 0.00 C ATOM 1913 O GLU A 122 -0.486 11.181 -10.874 1.00 0.00 O ATOM 1914 CB GLU A 122 2.259 11.809 -9.050 1.00 0.00 C ATOM 1915 CG GLU A 122 3.605 11.344 -8.491 1.00 0.00 C ATOM 1916 CD GLU A 122 3.954 12.168 -7.251 1.00 0.00 C ATOM 1917 OE1 GLU A 122 3.384 13.234 -7.092 1.00 0.00 O ATOM 1918 OE2 GLU A 122 4.786 11.718 -6.480 1.00 0.00 O ATOM 0 H GLU A 122 3.567 9.985 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 122 0.924 10.116 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.408 12.636 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.627 12.180 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.559 10.285 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 122 4.383 11.456 -9.246 1.00 0.00 H new ATOM 1925 N ASP A 123 1.365 11.651 -11.960 1.00 0.00 N ATOM 1926 CA ASP A 123 0.604 12.198 -13.121 1.00 0.00 C ATOM 1927 C ASP A 123 -0.387 11.148 -13.635 1.00 0.00 C ATOM 1928 O ASP A 123 -1.365 11.469 -14.280 1.00 0.00 O ATOM 1929 CB ASP A 123 1.581 12.566 -14.240 1.00 0.00 C ATOM 1930 CG ASP A 123 1.729 14.087 -14.309 1.00 0.00 C ATOM 1931 OD1 ASP A 123 2.373 14.640 -13.432 1.00 0.00 O ATOM 1932 OD2 ASP A 123 1.196 14.673 -15.237 1.00 0.00 O ATOM 0 H ASP A 123 2.380 11.679 -12.055 1.00 0.00 H new ATOM 0 HA ASP A 123 0.055 13.085 -12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.551 12.104 -14.057 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.220 12.182 -15.194 1.00 0.00 H new ATOM 1937 N PHE A 124 -0.144 9.899 -13.349 1.00 0.00 N ATOM 1938 CA PHE A 124 -1.074 8.833 -13.818 1.00 0.00 C ATOM 1939 C PHE A 124 -2.236 8.721 -12.844 1.00 0.00 C ATOM 1940 O PHE A 124 -3.392 8.715 -13.221 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.338 7.496 -13.845 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.330 6.384 -14.084 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -1.754 6.087 -15.385 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.831 5.654 -13.000 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -2.680 5.058 -15.600 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.756 4.627 -13.215 1.00 0.00 C ATOM 1947 CZ PHE A 124 -3.180 4.329 -14.514 1.00 0.00 C ATOM 0 H PHE A 124 0.658 9.570 -12.811 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.438 9.082 -14.815 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.417 7.500 -14.631 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.184 7.336 -12.902 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -1.368 6.650 -16.222 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.503 5.884 -11.997 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -3.008 4.827 -16.603 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -3.143 4.064 -12.378 1.00 0.00 H new ATOM 0 HZ PHE A 124 -3.894 3.536 -14.680 1.00 0.00 H new ATOM 1957 N ILE A 125 -1.923 8.638 -11.590 1.00 0.00 N ATOM 1958 CA ILE A 125 -2.988 8.528 -10.557 1.00 0.00 C ATOM 1959 C ILE A 125 -3.698 9.876 -10.433 1.00 0.00 C ATOM 1960 O ILE A 125 -4.845 9.948 -10.037 1.00 0.00 O ATOM 1961 CB ILE A 125 -2.370 8.150 -9.206 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -1.349 7.015 -9.383 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -3.476 7.693 -8.253 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -2.076 5.671 -9.491 1.00 0.00 C ATOM 0 H ILE A 125 -0.969 8.641 -11.229 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.700 7.756 -10.849 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.861 9.022 -8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.752 7.188 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.660 6.999 -8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.039 7.424 -7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.192 8.502 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.985 6.827 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.346 4.871 -9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.654 5.496 -8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.746 5.688 -10.350 1.00 0.00 H new ATOM 1976 N ARG A 126 -3.033 10.945 -10.776 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.686 12.280 -10.686 1.00 0.00 C ATOM 1978 C ARG A 126 -4.842 12.329 -11.684 1.00 0.00 C ATOM 1979 O ARG A 126 -5.961 12.648 -11.339 1.00 0.00 O ATOM 1980 CB ARG A 126 -2.671 13.376 -11.022 1.00 0.00 C ATOM 1981 CG ARG A 126 -2.214 14.065 -9.732 1.00 0.00 C ATOM 1982 CD ARG A 126 -1.302 15.243 -10.077 1.00 0.00 C ATOM 1983 NE ARG A 126 -1.740 16.447 -9.318 1.00 0.00 N ATOM 1984 CZ ARG A 126 -0.951 17.482 -9.220 1.00 0.00 C ATOM 1985 NH1 ARG A 126 0.221 17.465 -9.793 1.00 0.00 N ATOM 1986 NH2 ARG A 126 -1.335 18.535 -8.552 1.00 0.00 N ATOM 0 H ARG A 126 -2.070 10.952 -11.113 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.060 12.441 -9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.814 12.946 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.118 14.105 -11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.079 14.414 -9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.684 13.355 -9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.268 15.001 -9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.337 15.442 -11.148 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.658 16.463 -8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.520 16.643 -10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.838 18.274 -9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.252 18.550 -8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.718 19.344 -8.476 1.00 0.00 H new ATOM 2000 N SER A 127 -4.579 12.008 -12.922 1.00 0.00 N ATOM 2001 CA SER A 127 -5.663 12.028 -13.942 1.00 0.00 C ATOM 2002 C SER A 127 -6.777 11.072 -13.511 1.00 0.00 C ATOM 2003 O SER A 127 -7.920 11.219 -13.898 1.00 0.00 O ATOM 2004 CB SER A 127 -5.102 11.583 -15.293 1.00 0.00 C ATOM 2005 OG SER A 127 -6.172 11.419 -16.215 1.00 0.00 O ATOM 0 H SER A 127 -3.660 11.733 -13.270 1.00 0.00 H new ATOM 0 HA SER A 127 -6.062 13.038 -14.033 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.394 12.323 -15.667 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.555 10.646 -15.182 1.00 0.00 H new ATOM 0 HG SER A 127 -5.816 11.135 -17.083 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.453 10.094 -12.710 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.494 9.131 -12.251 1.00 0.00 C ATOM 2013 C GLU A 128 -8.404 9.819 -11.233 1.00 0.00 C ATOM 2014 O GLU A 128 -9.607 9.642 -11.241 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.822 7.917 -11.606 1.00 0.00 C ATOM 2016 CG GLU A 128 -5.984 7.180 -12.652 1.00 0.00 C ATOM 2017 CD GLU A 128 -6.871 6.201 -13.422 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -7.587 6.648 -14.303 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -6.820 5.020 -13.118 1.00 0.00 O ATOM 0 H GLU A 128 -5.513 9.920 -12.354 1.00 0.00 H new ATOM 0 HA GLU A 128 -8.087 8.800 -13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.190 8.236 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.576 7.248 -11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.531 7.895 -13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.168 6.644 -12.167 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.842 10.604 -10.356 1.00 0.00 N ATOM 2027 CA LEU A 129 -8.677 11.305 -9.341 1.00 0.00 C ATOM 2028 C LEU A 129 -9.442 12.442 -10.020 1.00 0.00 C ATOM 2029 O LEU A 129 -10.648 12.541 -9.912 1.00 0.00 O ATOM 2030 CB LEU A 129 -7.774 11.880 -8.246 1.00 0.00 C ATOM 2031 CG LEU A 129 -7.273 10.747 -7.348 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -5.966 11.170 -6.673 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.322 10.445 -6.275 1.00 0.00 C ATOM 0 H LEU A 129 -6.841 10.790 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.382 10.602 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.929 12.403 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.324 12.611 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.100 9.856 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.609 10.363 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.217 11.388 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.140 12.061 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.966 9.638 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.494 11.337 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.255 10.145 -6.752 1.00 0.00 H new ATOM 2045 N LYS A 130 -8.754 13.303 -10.719 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.447 14.431 -11.400 1.00 0.00 C ATOM 2047 C LYS A 130 -10.462 13.879 -12.404 1.00 0.00 C ATOM 2048 O LYS A 130 -11.238 14.613 -12.984 1.00 0.00 O ATOM 2049 CB LYS A 130 -8.419 15.291 -12.136 1.00 0.00 C ATOM 2050 CG LYS A 130 -7.764 16.260 -11.150 1.00 0.00 C ATOM 2051 CD LYS A 130 -7.124 15.470 -10.007 1.00 0.00 C ATOM 2052 CE LYS A 130 -6.253 16.403 -9.165 1.00 0.00 C ATOM 2053 NZ LYS A 130 -5.997 15.779 -7.837 1.00 0.00 N ATOM 0 H LYS A 130 -7.743 13.273 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 130 -9.965 15.038 -10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -7.661 14.657 -12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -8.902 15.845 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.009 16.859 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -8.508 16.952 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -7.897 15.018 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.521 14.655 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -5.310 16.597 -9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.750 17.365 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.995 15.896 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -6.590 16.239 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.227 14.766 -7.879 1.00 0.00 H new