USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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: T 32 THR OG1 : rot 170:sc= -0.818 USER MOD Set 1.2: T 35 GLN : amide:sc= -0.979 K(o=-1.8,f=-6.1!) USER MOD Set 2.1: T 3 TYR OH : rot 20:sc= 0.282 USER MOD Set 2.2: T 94 ASN : amide:sc= -0.374 K(o=-0.091,f=-3.6) USER MOD Single : T 4 HIS : no HE2:sc= -6.6! C(o=-6.6!,f=-8.2!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ -136:sc= 0.0825 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 41 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.514) USER MOD Single : T 45 HIS : no HD1:sc= -6.66! C(o=-6.7!,f=-4.7!) USER MOD Single : T 47 CYS SG : rot 180:sc= 0 USER MOD Single : T 52 MET CE :methyl -113:sc= -2.15 (180deg=-6.82!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 138:sc= 0.0982 USER MOD Single : T 73 THR OG1 : rot -17:sc= 0.624 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -1.45 K(o=-1.5,f=-6.5!) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 130:sc= -0.195 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -9.004 2.399 6.970 1.00 0.00 N ATOM 11 CA VAL T 2 -7.981 2.210 5.949 1.00 0.00 C ATOM 12 C VAL T 2 -8.395 1.142 4.947 1.00 0.00 C ATOM 13 O VAL T 2 -9.071 0.175 5.299 1.00 0.00 O ATOM 14 CB VAL T 2 -6.630 1.812 6.573 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.834 0.837 7.721 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.703 1.223 5.522 1.00 0.00 C ATOM 0 HA VAL T 2 -7.870 3.165 5.435 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.161 2.712 6.971 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.867 0.569 8.147 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.452 1.303 8.488 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.329 -0.061 7.352 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.755 0.949 5.985 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.164 0.336 5.086 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.525 1.961 4.740 1.00 0.00 H new ATOM 26 N TYR T 3 -7.979 1.316 3.698 1.00 0.00 N ATOM 27 CA TYR T 3 -8.303 0.355 2.650 1.00 0.00 C ATOM 28 C TYR T 3 -7.300 0.421 1.506 1.00 0.00 C ATOM 29 O TYR T 3 -6.391 1.252 1.506 1.00 0.00 O ATOM 30 CB TYR T 3 -9.718 0.586 2.116 1.00 0.00 C ATOM 31 CG TYR T 3 -9.952 1.977 1.568 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.060 3.072 2.416 1.00 0.00 C ATOM 33 CD2 TYR T 3 -10.071 2.191 0.200 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.279 4.342 1.915 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.288 3.458 -0.307 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.392 4.529 0.554 1.00 0.00 C ATOM 37 OH TYR T 3 -10.608 5.791 0.052 1.00 0.00 O ATOM 0 H TYR T 3 -7.419 2.110 3.387 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.252 -0.639 3.095 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.922 -0.141 1.330 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.432 0.398 2.917 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.972 2.929 3.483 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.993 1.354 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.361 5.184 2.587 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.376 3.608 -1.373 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.346 6.458 0.721 1.00 0.00 H new ATOM 47 N HIS T 4 -7.468 -0.473 0.539 1.00 0.00 N ATOM 48 CA HIS T 4 -6.577 -0.534 -0.612 1.00 0.00 C ATOM 49 C HIS T 4 -7.176 0.179 -1.819 1.00 0.00 C ATOM 50 O HIS T 4 -8.375 0.459 -1.859 1.00 0.00 O ATOM 51 CB HIS T 4 -6.280 -1.989 -0.970 1.00 0.00 C ATOM 52 CG HIS T 4 -5.209 -2.147 -2.006 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.464 -2.580 -3.290 1.00 0.00 N ATOM 54 CD2 HIS T 4 -3.875 -1.923 -1.944 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.333 -2.617 -3.972 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.354 -2.222 -3.178 1.00 0.00 N ATOM 0 H HIS T 4 -8.215 -1.167 0.530 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.650 -0.027 -0.342 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.982 -2.523 -0.067 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.195 -2.459 -1.331 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.382 -2.832 -3.656 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.324 -1.574 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -4.227 -2.919 -5.003 1.00 0.00 H new ATOM 65 N ARG T 5 -6.327 0.472 -2.798 1.00 0.00 N ATOM 66 CA ARG T 5 -6.759 1.153 -4.010 1.00 0.00 C ATOM 67 C ARG T 5 -5.724 0.995 -5.122 1.00 0.00 C ATOM 68 O ARG T 5 -4.522 0.946 -4.860 1.00 0.00 O ATOM 69 CB ARG T 5 -6.983 2.635 -3.719 1.00 0.00 C ATOM 70 CG ARG T 5 -8.444 3.007 -3.519 1.00 0.00 C ATOM 71 CD ARG T 5 -9.057 3.562 -4.794 1.00 0.00 C ATOM 72 NE ARG T 5 -9.948 4.688 -4.528 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.432 5.485 -5.476 1.00 0.00 C ATOM 74 NH1 ARG T 5 -10.110 5.280 -6.746 1.00 0.00 N ATOM 75 NH2 ARG T 5 -11.237 6.488 -5.154 1.00 0.00 N ATOM 0 H ARG T 5 -5.332 0.247 -2.774 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.694 0.702 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.422 2.909 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.577 3.223 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -9.003 2.129 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.527 3.747 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.263 3.880 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.611 2.773 -5.303 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.214 4.874 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -9.490 4.510 -6.997 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -10.482 5.892 -7.472 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -11.486 6.649 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.607 7.099 -5.882 1.00 0.00 H new ATOM 89 N GLU T 6 -6.197 0.919 -6.362 1.00 0.00 N ATOM 90 CA GLU T 6 -5.309 0.770 -7.509 1.00 0.00 C ATOM 91 C GLU T 6 -5.268 2.048 -8.337 1.00 0.00 C ATOM 92 O GLU T 6 -5.754 3.096 -7.910 1.00 0.00 O ATOM 93 CB GLU T 6 -5.755 -0.400 -8.388 1.00 0.00 C ATOM 94 CG GLU T 6 -6.906 -0.057 -9.320 1.00 0.00 C ATOM 95 CD GLU T 6 -8.214 0.138 -8.579 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.679 -0.823 -7.933 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.774 1.253 -8.645 1.00 0.00 O ATOM 0 H GLU T 6 -7.189 0.958 -6.598 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.308 0.568 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.907 -0.741 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -6.052 -1.231 -7.749 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.665 0.852 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.024 -0.853 -10.055 1.00 0.00 H new ATOM 104 N ALA T 7 -4.683 1.951 -9.524 1.00 0.00 N ATOM 105 CA ALA T 7 -4.574 3.095 -10.420 1.00 0.00 C ATOM 106 C ALA T 7 -5.713 3.108 -11.434 1.00 0.00 C ATOM 107 O ALA T 7 -6.236 2.057 -11.808 1.00 0.00 O ATOM 108 CB ALA T 7 -3.230 3.081 -11.132 1.00 0.00 C ATOM 0 H ALA T 7 -4.276 1.090 -9.889 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.646 4.003 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.162 3.941 -11.798 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.428 3.128 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.136 2.164 -11.713 1.00 0.00 H new ATOM 114 N ARG T 8 -6.093 4.302 -11.876 1.00 0.00 N ATOM 115 CA ARG T 8 -7.171 4.451 -12.847 1.00 0.00 C ATOM 116 C ARG T 8 -6.939 3.556 -14.059 1.00 0.00 C ATOM 117 O ARG T 8 -7.884 3.166 -14.746 1.00 0.00 O ATOM 118 CB ARG T 8 -7.288 5.911 -13.292 1.00 0.00 C ATOM 119 CG ARG T 8 -8.095 6.779 -12.342 1.00 0.00 C ATOM 120 CD ARG T 8 -7.256 7.260 -11.169 1.00 0.00 C ATOM 121 NE ARG T 8 -7.245 8.716 -11.065 1.00 0.00 N ATOM 122 CZ ARG T 8 -7.826 9.388 -10.078 1.00 0.00 C ATOM 123 NH1 ARG T 8 -8.460 8.737 -9.112 1.00 0.00 N ATOM 124 NH2 ARG T 8 -7.774 10.714 -10.054 1.00 0.00 N ATOM 0 H ARG T 8 -5.670 5.181 -11.577 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.102 4.149 -12.367 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.287 6.332 -13.392 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.748 5.944 -14.279 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.491 7.639 -12.882 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.950 6.214 -11.970 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -7.646 6.834 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -6.234 6.897 -11.281 1.00 0.00 H new ATOM 0 HE ARG T 8 -6.764 9.247 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -8.502 7.718 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -8.906 9.255 -8.355 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -7.287 11.219 -10.795 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -8.221 11.228 -9.295 1.00 0.00 H new ATOM 138 N SER T 9 -5.676 3.234 -14.317 1.00 0.00 N ATOM 139 CA SER T 9 -5.321 2.384 -15.447 1.00 0.00 C ATOM 140 C SER T 9 -5.262 0.919 -15.029 1.00 0.00 C ATOM 141 O SER T 9 -5.836 0.053 -15.689 1.00 0.00 O ATOM 142 CB SER T 9 -3.976 2.815 -16.035 1.00 0.00 C ATOM 143 OG SER T 9 -4.069 4.094 -16.638 1.00 0.00 O ATOM 0 H SER T 9 -4.882 3.549 -13.759 1.00 0.00 H new ATOM 0 HA SER T 9 -6.093 2.494 -16.208 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.221 2.834 -15.249 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.648 2.084 -16.774 1.00 0.00 H new ATOM 0 HG SER T 9 -3.196 4.347 -17.005 1.00 0.00 H new ATOM 149 N GLY T 10 -4.562 0.650 -13.934 1.00 0.00 N ATOM 150 CA GLY T 10 -4.439 -0.708 -13.451 1.00 0.00 C ATOM 151 C GLY T 10 -3.424 -0.835 -12.331 1.00 0.00 C ATOM 152 O GLY T 10 -2.712 0.117 -12.016 1.00 0.00 O ATOM 0 H GLY T 10 -4.077 1.350 -13.373 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.410 -1.054 -13.098 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.149 -1.359 -14.276 1.00 0.00 H new ATOM 156 N LYS T 11 -3.360 -2.020 -11.730 1.00 0.00 N ATOM 157 CA LYS T 11 -2.428 -2.280 -10.639 1.00 0.00 C ATOM 158 C LYS T 11 -0.987 -2.051 -11.088 1.00 0.00 C ATOM 159 O LYS T 11 -0.658 -2.218 -12.263 1.00 0.00 O ATOM 160 CB LYS T 11 -2.598 -3.715 -10.133 1.00 0.00 C ATOM 161 CG LYS T 11 -1.516 -4.150 -9.157 1.00 0.00 C ATOM 162 CD LYS T 11 -0.943 -5.508 -9.530 1.00 0.00 C ATOM 163 CE LYS T 11 -0.885 -6.438 -8.329 1.00 0.00 C ATOM 164 NZ LYS T 11 -0.523 -7.828 -8.721 1.00 0.00 N ATOM 0 H LYS T 11 -3.945 -2.817 -11.982 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.649 -1.586 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.570 -3.808 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.600 -4.394 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.717 -3.408 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.929 -4.193 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.554 -5.959 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS T 11 0.058 -5.381 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.155 -6.061 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.852 -6.443 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.494 -8.431 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.233 -8.197 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 0.411 -7.828 -9.178 1.00 0.00 H new ATOM 178 N TYR T 12 -0.133 -1.669 -10.145 1.00 0.00 N ATOM 179 CA TYR T 12 1.275 -1.417 -10.437 1.00 0.00 C ATOM 180 C TYR T 12 1.431 -0.278 -11.438 1.00 0.00 C ATOM 181 O TYR T 12 2.011 -0.453 -12.510 1.00 0.00 O ATOM 182 CB TYR T 12 1.942 -2.685 -10.977 1.00 0.00 C ATOM 183 CG TYR T 12 2.227 -3.720 -9.913 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.747 -3.565 -8.618 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.976 -4.854 -10.203 1.00 0.00 C ATOM 186 CE1 TYR T 12 2.004 -4.509 -7.644 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.238 -5.803 -9.233 1.00 0.00 C ATOM 188 CZ TYR T 12 2.749 -5.626 -7.956 1.00 0.00 C ATOM 189 OH TYR T 12 3.008 -6.569 -6.987 1.00 0.00 O ATOM 0 H TYR T 12 -0.391 -1.526 -9.169 1.00 0.00 H new ATOM 0 HA TYR T 12 1.765 -1.126 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.300 -3.127 -11.739 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.877 -2.413 -11.467 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.163 -2.691 -8.369 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.360 -4.996 -11.203 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.623 -4.373 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.823 -6.679 -9.474 1.00 0.00 H new ATOM 0 HH TYR T 12 3.545 -7.294 -7.371 1.00 0.00 H new ATOM 199 N LYS T 13 0.913 0.890 -11.076 1.00 0.00 N ATOM 200 CA LYS T 13 0.994 2.065 -11.934 1.00 0.00 C ATOM 201 C LYS T 13 0.905 3.342 -11.106 1.00 0.00 C ATOM 202 O LYS T 13 0.851 4.445 -11.650 1.00 0.00 O ATOM 203 CB LYS T 13 -0.125 2.039 -12.978 1.00 0.00 C ATOM 204 CG LYS T 13 0.165 1.126 -14.158 1.00 0.00 C ATOM 205 CD LYS T 13 -0.594 1.561 -15.401 1.00 0.00 C ATOM 206 CE LYS T 13 -1.275 0.383 -16.079 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.291 -0.604 -16.601 1.00 0.00 N ATOM 0 H LYS T 13 0.431 1.048 -10.191 1.00 0.00 H new ATOM 0 HA LYS T 13 1.956 2.049 -12.446 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.050 1.717 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.292 3.052 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.235 1.127 -14.365 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.109 0.102 -13.903 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.341 2.307 -15.130 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.093 2.037 -16.100 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.940 -0.109 -15.369 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.895 0.745 -16.899 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -0.797 -1.391 -17.055 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 0.328 -0.142 -17.297 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 0.284 -0.970 -15.815 1.00 0.00 H new ATOM 221 N LEU T 14 0.888 3.181 -9.787 1.00 0.00 N ATOM 222 CA LEU T 14 0.803 4.317 -8.879 1.00 0.00 C ATOM 223 C LEU T 14 2.120 4.539 -8.146 1.00 0.00 C ATOM 224 O LEU T 14 2.714 3.600 -7.616 1.00 0.00 O ATOM 225 CB LEU T 14 -0.317 4.093 -7.863 1.00 0.00 C ATOM 226 CG LEU T 14 -1.701 4.569 -8.304 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.784 3.765 -7.603 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.868 6.054 -8.026 1.00 0.00 C ATOM 0 H LEU T 14 0.932 2.273 -9.323 1.00 0.00 H new ATOM 0 HA LEU T 14 0.587 5.205 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.372 3.028 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.053 4.603 -6.937 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.797 4.412 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.764 4.115 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.674 2.710 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.691 3.893 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.859 6.375 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.754 6.239 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.110 6.614 -8.574 1.00 0.00 H new ATOM 240 N THR T 15 2.561 5.789 -8.113 1.00 0.00 N ATOM 241 CA THR T 15 3.798 6.148 -7.435 1.00 0.00 C ATOM 242 C THR T 15 3.494 6.844 -6.116 1.00 0.00 C ATOM 243 O THR T 15 2.475 7.517 -5.987 1.00 0.00 O ATOM 244 CB THR T 15 4.669 7.073 -8.305 1.00 0.00 C ATOM 245 OG1 THR T 15 4.303 8.441 -8.084 1.00 0.00 O ATOM 246 CG2 THR T 15 4.514 6.734 -9.780 1.00 0.00 C ATOM 0 H THR T 15 2.078 6.574 -8.550 1.00 0.00 H new ATOM 0 HA THR T 15 4.348 5.226 -7.248 1.00 0.00 H new ATOM 0 HB THR T 15 5.711 6.925 -8.022 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.862 9.023 -8.640 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.139 7.401 -10.374 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.820 5.702 -9.950 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.471 6.856 -10.074 1.00 0.00 H new ATOM 254 N TYR T 16 4.375 6.678 -5.135 1.00 0.00 N ATOM 255 CA TYR T 16 4.178 7.295 -3.828 1.00 0.00 C ATOM 256 C TYR T 16 3.519 8.664 -3.964 1.00 0.00 C ATOM 257 O TYR T 16 2.653 9.029 -3.171 1.00 0.00 O ATOM 258 CB TYR T 16 5.510 7.436 -3.093 1.00 0.00 C ATOM 259 CG TYR T 16 5.410 8.232 -1.812 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.847 7.676 -0.668 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.874 9.540 -1.747 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.752 8.403 0.503 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.781 10.272 -0.579 1.00 0.00 C ATOM 264 CZ TYR T 16 5.220 9.699 0.543 1.00 0.00 C ATOM 265 OH TYR T 16 5.127 10.426 1.707 1.00 0.00 O ATOM 0 H TYR T 16 5.228 6.125 -5.219 1.00 0.00 H new ATOM 0 HA TYR T 16 3.520 6.646 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.897 6.443 -2.865 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.232 7.916 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.479 6.661 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.314 9.992 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.313 7.958 1.383 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.146 11.288 -0.545 1.00 0.00 H new ATOM 0 HH TYR T 16 5.504 11.320 1.566 1.00 0.00 H new ATOM 275 N ALA T 17 3.939 9.418 -4.975 1.00 0.00 N ATOM 276 CA ALA T 17 3.392 10.746 -5.216 1.00 0.00 C ATOM 277 C ALA T 17 1.951 10.673 -5.713 1.00 0.00 C ATOM 278 O ALA T 17 1.086 11.411 -5.240 1.00 0.00 O ATOM 279 CB ALA T 17 4.262 11.499 -6.210 1.00 0.00 C ATOM 0 H ALA T 17 4.657 9.131 -5.640 1.00 0.00 H new ATOM 0 HA ALA T 17 3.388 11.286 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.843 12.490 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.271 11.596 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.296 10.951 -7.152 1.00 0.00 H new ATOM 285 N GLU T 18 1.694 9.777 -6.663 1.00 0.00 N ATOM 286 CA GLU T 18 0.357 9.611 -7.210 1.00 0.00 C ATOM 287 C GLU T 18 -0.550 8.927 -6.194 1.00 0.00 C ATOM 288 O GLU T 18 -1.669 9.374 -5.940 1.00 0.00 O ATOM 289 CB GLU T 18 0.418 8.786 -8.494 1.00 0.00 C ATOM 290 CG GLU T 18 1.251 9.433 -9.590 1.00 0.00 C ATOM 291 CD GLU T 18 1.397 8.548 -10.812 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.566 7.323 -10.642 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.342 9.080 -11.940 1.00 0.00 O ATOM 0 H GLU T 18 2.396 9.157 -7.067 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.053 10.595 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.831 7.803 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.595 8.628 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.790 10.376 -9.882 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.240 9.670 -9.197 1.00 0.00 H new ATOM 300 N ALA T 19 -0.049 7.845 -5.613 1.00 0.00 N ATOM 301 CA ALA T 19 -0.792 7.089 -4.616 1.00 0.00 C ATOM 302 C ALA T 19 -1.345 8.009 -3.532 1.00 0.00 C ATOM 303 O ALA T 19 -2.506 7.898 -3.141 1.00 0.00 O ATOM 304 CB ALA T 19 0.106 6.027 -4.000 1.00 0.00 C ATOM 0 H ALA T 19 0.877 7.469 -5.818 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.635 6.604 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.455 5.464 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.455 5.349 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.962 6.506 -3.525 1.00 0.00 H new ATOM 310 N LYS T 20 -0.500 8.917 -3.052 1.00 0.00 N ATOM 311 CA LYS T 20 -0.895 9.861 -2.014 1.00 0.00 C ATOM 312 C LYS T 20 -1.863 10.897 -2.564 1.00 0.00 C ATOM 313 O LYS T 20 -2.922 11.135 -1.991 1.00 0.00 O ATOM 314 CB LYS T 20 0.340 10.556 -1.442 1.00 0.00 C ATOM 315 CG LYS T 20 0.116 11.168 -0.069 1.00 0.00 C ATOM 316 CD LYS T 20 1.416 11.668 0.541 1.00 0.00 C ATOM 317 CE LYS T 20 1.162 12.571 1.737 1.00 0.00 C ATOM 318 NZ LYS T 20 1.288 14.013 1.386 1.00 0.00 N ATOM 0 H LYS T 20 0.465 9.018 -3.367 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.397 9.307 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.155 9.835 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.658 11.338 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.590 11.994 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.335 10.427 0.591 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.025 10.818 0.849 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.986 12.212 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.163 12.380 2.130 1.00 0.00 H new ATOM 0 HE3 LYS T 20 1.869 12.328 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 1.829 14.504 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 1.782 14.107 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 0.341 14.436 1.311 1.00 0.00 H new ATOM 332 N ALA T 21 -1.489 11.512 -3.677 1.00 0.00 N ATOM 333 CA ALA T 21 -2.329 12.526 -4.303 1.00 0.00 C ATOM 334 C ALA T 21 -3.766 12.036 -4.440 1.00 0.00 C ATOM 335 O ALA T 21 -4.711 12.798 -4.252 1.00 0.00 O ATOM 336 CB ALA T 21 -1.772 12.913 -5.664 1.00 0.00 C ATOM 0 H ALA T 21 -0.612 11.328 -4.165 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.329 13.407 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.411 13.671 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.765 13.312 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.740 12.034 -6.307 1.00 0.00 H new ATOM 342 N VAL T 22 -3.920 10.758 -4.768 1.00 0.00 N ATOM 343 CA VAL T 22 -5.241 10.163 -4.935 1.00 0.00 C ATOM 344 C VAL T 22 -5.905 9.891 -3.590 1.00 0.00 C ATOM 345 O VAL T 22 -7.033 10.321 -3.344 1.00 0.00 O ATOM 346 CB VAL T 22 -5.163 8.848 -5.735 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.382 7.979 -5.462 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.026 9.135 -7.223 1.00 0.00 C ATOM 0 H VAL T 22 -3.145 10.113 -4.924 1.00 0.00 H new ATOM 0 HA VAL T 22 -5.843 10.884 -5.487 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.278 8.301 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.307 7.056 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.429 7.742 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.284 8.516 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -4.972 8.195 -7.772 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -5.890 9.706 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.118 9.711 -7.400 1.00 0.00 H new ATOM 358 N CYS T 23 -5.203 9.171 -2.726 1.00 0.00 N ATOM 359 CA CYS T 23 -5.723 8.834 -1.407 1.00 0.00 C ATOM 360 C CYS T 23 -5.924 10.088 -0.561 1.00 0.00 C ATOM 361 O CYS T 23 -6.774 10.119 0.328 1.00 0.00 O ATOM 362 CB CYS T 23 -4.773 7.869 -0.701 1.00 0.00 C ATOM 363 SG CYS T 23 -4.798 6.179 -1.380 1.00 0.00 S ATOM 0 H CYS T 23 -4.269 8.808 -2.915 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.692 8.352 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.758 8.261 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.032 7.829 0.357 1.00 0.00 H new ATOM 368 N GLU T 24 -5.140 11.120 -0.851 1.00 0.00 N ATOM 369 CA GLU T 24 -5.234 12.380 -0.124 1.00 0.00 C ATOM 370 C GLU T 24 -6.062 13.383 -0.917 1.00 0.00 C ATOM 371 O GLU T 24 -6.412 14.454 -0.420 1.00 0.00 O ATOM 372 CB GLU T 24 -3.838 12.948 0.144 1.00 0.00 C ATOM 373 CG GLU T 24 -3.834 14.141 1.087 1.00 0.00 C ATOM 374 CD GLU T 24 -2.471 14.401 1.695 1.00 0.00 C ATOM 375 OE1 GLU T 24 -2.161 13.793 2.741 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.712 15.214 1.125 1.00 0.00 O ATOM 0 H GLU T 24 -4.432 11.109 -1.585 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.724 12.193 0.832 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.210 12.162 0.564 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.388 13.244 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.161 15.028 0.545 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.557 13.971 1.885 1.00 0.00 H new ATOM 383 N PHE T 25 -6.372 13.017 -2.156 1.00 0.00 N ATOM 384 CA PHE T 25 -7.161 13.865 -3.037 1.00 0.00 C ATOM 385 C PHE T 25 -8.473 14.272 -2.376 1.00 0.00 C ATOM 386 O PHE T 25 -8.891 15.427 -2.460 1.00 0.00 O ATOM 387 CB PHE T 25 -7.446 13.126 -4.345 1.00 0.00 C ATOM 388 CG PHE T 25 -7.405 14.010 -5.558 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.195 14.437 -6.076 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.576 14.412 -6.179 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.150 15.247 -7.194 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.540 15.223 -7.297 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.325 15.643 -7.805 1.00 0.00 C ATOM 0 H PHE T 25 -6.086 12.132 -2.574 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.589 14.770 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.717 12.324 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.428 12.657 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.274 14.133 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.528 14.088 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.199 15.570 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.460 15.528 -7.773 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.294 16.279 -8.677 1.00 0.00 H new ATOM 403 N GLU T 26 -9.118 13.314 -1.722 1.00 0.00 N ATOM 404 CA GLU T 26 -10.387 13.565 -1.049 1.00 0.00 C ATOM 405 C GLU T 26 -10.205 13.646 0.461 1.00 0.00 C ATOM 406 O GLU T 26 -10.792 12.869 1.215 1.00 0.00 O ATOM 407 CB GLU T 26 -11.392 12.471 -1.400 1.00 0.00 C ATOM 408 CG GLU T 26 -11.452 12.169 -2.885 1.00 0.00 C ATOM 409 CD GLU T 26 -12.456 11.085 -3.222 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.306 9.957 -2.708 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.393 11.364 -4.000 1.00 0.00 O ATOM 0 H GLU T 26 -8.783 12.354 -1.643 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.768 14.526 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.131 11.560 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.382 12.772 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.711 13.079 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.464 11.863 -3.229 1.00 0.00 H new ATOM 418 N GLY T 27 -9.392 14.601 0.891 1.00 0.00 N ATOM 419 CA GLY T 27 -9.140 14.791 2.308 1.00 0.00 C ATOM 420 C GLY T 27 -8.743 13.505 3.005 1.00 0.00 C ATOM 421 O GLY T 27 -8.950 13.355 4.209 1.00 0.00 O ATOM 0 H GLY T 27 -8.899 15.252 0.280 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.349 15.530 2.437 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.034 15.196 2.782 1.00 0.00 H new ATOM 425 N GLY T 28 -8.167 12.574 2.251 1.00 0.00 N ATOM 426 CA GLY T 28 -7.745 11.311 2.828 1.00 0.00 C ATOM 427 C GLY T 28 -6.237 11.236 2.962 1.00 0.00 C ATOM 428 O GLY T 28 -5.543 12.237 2.788 1.00 0.00 O ATOM 0 H GLY T 28 -7.985 12.671 1.252 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.205 11.186 3.808 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.097 10.489 2.204 1.00 0.00 H new ATOM 432 N HIS T 29 -5.727 10.048 3.271 1.00 0.00 N ATOM 433 CA HIS T 29 -4.291 9.852 3.424 1.00 0.00 C ATOM 434 C HIS T 29 -3.925 8.395 3.180 1.00 0.00 C ATOM 435 O HIS T 29 -4.581 7.488 3.692 1.00 0.00 O ATOM 436 CB HIS T 29 -3.836 10.274 4.822 1.00 0.00 C ATOM 437 CG HIS T 29 -4.948 10.779 5.688 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.354 12.096 5.702 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.745 10.133 6.574 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.351 12.240 6.558 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.608 11.063 7.099 1.00 0.00 N ATOM 0 H HIS T 29 -6.286 9.208 3.420 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.783 10.474 2.687 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.362 9.424 5.313 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.078 11.051 4.729 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.708 9.082 6.821 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -6.867 13.163 6.777 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.330 10.875 7.794 1.00 0.00 H new ATOM 450 N LEU T 30 -2.877 8.171 2.397 1.00 0.00 N ATOM 451 CA LEU T 30 -2.440 6.817 2.098 1.00 0.00 C ATOM 452 C LEU T 30 -1.949 6.126 3.364 1.00 0.00 C ATOM 453 O LEU T 30 -1.083 6.639 4.073 1.00 0.00 O ATOM 454 CB LEU T 30 -1.352 6.823 1.021 1.00 0.00 C ATOM 455 CG LEU T 30 0.048 6.430 1.494 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.357 4.998 1.094 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.093 7.382 0.927 1.00 0.00 C ATOM 0 H LEU T 30 -2.319 8.905 1.961 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.291 6.257 1.711 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.651 6.142 0.224 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.302 7.821 0.586 1.00 0.00 H new ATOM 0 HG LEU T 30 0.078 6.500 2.581 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.357 4.732 1.437 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.373 4.328 1.548 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.309 4.905 0.009 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.082 7.085 1.275 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.066 7.346 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.880 8.397 1.262 1.00 0.00 H new ATOM 469 N ALA T 31 -2.526 4.965 3.649 1.00 0.00 N ATOM 470 CA ALA T 31 -2.169 4.201 4.837 1.00 0.00 C ATOM 471 C ALA T 31 -0.664 3.968 4.915 1.00 0.00 C ATOM 472 O ALA T 31 0.045 4.088 3.917 1.00 0.00 O ATOM 473 CB ALA T 31 -2.912 2.875 4.853 1.00 0.00 C ATOM 0 H ALA T 31 -3.246 4.531 3.071 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.463 4.782 5.711 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.636 2.314 5.746 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.986 3.060 4.858 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.647 2.299 3.966 1.00 0.00 H new ATOM 479 N THR T 32 -0.184 3.633 6.108 1.00 0.00 N ATOM 480 CA THR T 32 1.237 3.382 6.316 1.00 0.00 C ATOM 481 C THR T 32 1.505 1.904 6.560 1.00 0.00 C ATOM 482 O THR T 32 0.652 1.055 6.302 1.00 0.00 O ATOM 483 CB THR T 32 1.783 4.180 7.513 1.00 0.00 C ATOM 484 OG1 THR T 32 1.284 3.629 8.739 1.00 0.00 O ATOM 485 CG2 THR T 32 1.392 5.644 7.412 1.00 0.00 C ATOM 0 H THR T 32 -0.758 3.529 6.945 1.00 0.00 H new ATOM 0 HA THR T 32 1.744 3.703 5.406 1.00 0.00 H new ATOM 0 HB THR T 32 2.871 4.111 7.501 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.757 4.034 9.496 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.790 6.187 8.270 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.800 6.067 6.494 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.305 5.730 7.400 1.00 0.00 H new ATOM 493 N TYR T 33 2.693 1.608 7.071 1.00 0.00 N ATOM 494 CA TYR T 33 3.077 0.233 7.367 1.00 0.00 C ATOM 495 C TYR T 33 2.370 -0.249 8.623 1.00 0.00 C ATOM 496 O TYR T 33 1.449 -1.063 8.562 1.00 0.00 O ATOM 497 CB TYR T 33 4.591 0.132 7.558 1.00 0.00 C ATOM 498 CG TYR T 33 5.048 -1.140 8.241 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.922 -2.375 7.616 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.605 -1.102 9.513 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.337 -3.536 8.241 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.024 -2.258 10.143 1.00 0.00 C ATOM 503 CZ TYR T 33 5.888 -3.472 9.503 1.00 0.00 C ATOM 504 OH TYR T 33 6.303 -4.626 10.128 1.00 0.00 O ATOM 0 H TYR T 33 3.408 2.302 7.289 1.00 0.00 H new ATOM 0 HA TYR T 33 2.783 -0.396 6.527 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.074 0.201 6.583 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.930 0.987 8.143 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.493 -2.428 6.626 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.712 -0.153 10.018 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.230 -4.488 7.743 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.456 -2.211 11.132 1.00 0.00 H new ATOM 0 HH TYR T 33 6.669 -4.407 11.010 1.00 0.00 H new ATOM 514 N LYS T 34 2.812 0.267 9.761 1.00 0.00 N ATOM 515 CA LYS T 34 2.232 -0.094 11.046 1.00 0.00 C ATOM 516 C LYS T 34 0.711 -0.014 10.998 1.00 0.00 C ATOM 517 O LYS T 34 0.019 -0.868 11.554 1.00 0.00 O ATOM 518 CB LYS T 34 2.771 0.820 12.148 1.00 0.00 C ATOM 519 CG LYS T 34 4.284 0.966 12.150 1.00 0.00 C ATOM 520 CD LYS T 34 4.715 2.304 12.728 1.00 0.00 C ATOM 521 CE LYS T 34 5.087 2.183 14.197 1.00 0.00 C ATOM 522 NZ LYS T 34 6.256 3.036 14.547 1.00 0.00 N ATOM 0 H LYS T 34 3.575 0.941 9.820 1.00 0.00 H new ATOM 0 HA LYS T 34 2.515 -1.123 11.268 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.322 1.807 12.038 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.453 0.431 13.115 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.728 0.158 12.731 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.661 0.870 11.132 1.00 0.00 H new ATOM 0 HD2 LYS T 34 5.567 2.687 12.166 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.908 3.027 12.615 1.00 0.00 H new ATOM 0 HE2 LYS T 34 4.233 2.467 14.812 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.315 1.143 14.429 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 6.477 2.924 15.557 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 7.078 2.748 13.979 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 6.030 4.032 14.350 1.00 0.00 H new ATOM 536 N GLN T 35 0.191 1.012 10.330 1.00 0.00 N ATOM 537 CA GLN T 35 -1.247 1.190 10.212 1.00 0.00 C ATOM 538 C GLN T 35 -1.863 0.052 9.412 1.00 0.00 C ATOM 539 O GLN T 35 -2.818 -0.589 9.856 1.00 0.00 O ATOM 540 CB GLN T 35 -1.557 2.530 9.547 1.00 0.00 C ATOM 541 CG GLN T 35 -1.121 3.731 10.369 1.00 0.00 C ATOM 542 CD GLN T 35 -1.351 5.045 9.649 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.555 5.074 8.435 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.318 6.141 10.397 1.00 0.00 N ATOM 0 H GLN T 35 0.746 1.730 9.864 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.680 1.182 11.212 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.064 2.567 8.575 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.629 2.596 9.363 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.666 3.738 11.313 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.063 3.635 10.613 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.146 6.069 11.400 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.465 7.055 9.969 1.00 0.00 H new ATOM 553 N LEU T 36 -1.300 -0.210 8.238 1.00 0.00 N ATOM 554 CA LEU T 36 -1.786 -1.284 7.394 1.00 0.00 C ATOM 555 C LEU T 36 -1.754 -2.587 8.172 1.00 0.00 C ATOM 556 O LEU T 36 -2.652 -3.420 8.056 1.00 0.00 O ATOM 557 CB LEU T 36 -0.921 -1.392 6.146 1.00 0.00 C ATOM 558 CG LEU T 36 -1.610 -2.001 4.923 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.958 -3.460 5.176 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.857 -1.207 4.566 1.00 0.00 C ATOM 0 H LEU T 36 -0.509 0.307 7.854 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.811 -1.075 7.089 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.565 -0.396 5.883 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.043 -1.992 6.384 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.920 -1.956 4.080 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.447 -3.875 4.295 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.047 -4.021 5.383 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.630 -3.531 6.031 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.335 -1.653 3.694 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.550 -1.221 5.407 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.580 -0.177 4.341 1.00 0.00 H new ATOM 572 N GLU T 37 -0.713 -2.739 8.979 1.00 0.00 N ATOM 573 CA GLU T 37 -0.550 -3.925 9.806 1.00 0.00 C ATOM 574 C GLU T 37 -1.785 -4.141 10.664 1.00 0.00 C ATOM 575 O GLU T 37 -2.455 -5.168 10.566 1.00 0.00 O ATOM 576 CB GLU T 37 0.679 -3.777 10.702 1.00 0.00 C ATOM 577 CG GLU T 37 0.993 -5.026 11.503 1.00 0.00 C ATOM 578 CD GLU T 37 1.895 -5.988 10.757 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.946 -5.543 10.247 1.00 0.00 O ATOM 580 OE2 GLU T 37 1.554 -7.187 10.681 1.00 0.00 O ATOM 0 H GLU T 37 0.034 -2.052 9.078 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.415 -4.787 9.153 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.541 -3.523 10.085 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.522 -2.944 11.388 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.470 -4.741 12.441 1.00 0.00 H new ATOM 0 HG3 GLU T 37 0.062 -5.532 11.759 1.00 0.00 H new ATOM 587 N ALA T 38 -2.077 -3.157 11.504 1.00 0.00 N ATOM 588 CA ALA T 38 -3.233 -3.221 12.385 1.00 0.00 C ATOM 589 C ALA T 38 -4.509 -3.467 11.589 1.00 0.00 C ATOM 590 O ALA T 38 -5.507 -3.949 12.126 1.00 0.00 O ATOM 591 CB ALA T 38 -3.350 -1.944 13.202 1.00 0.00 C ATOM 0 H ALA T 38 -1.527 -2.303 11.593 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.094 -4.058 13.069 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.220 -2.009 13.856 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.452 -1.815 13.805 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.463 -1.092 12.531 1.00 0.00 H new ATOM 597 N ALA T 39 -4.463 -3.145 10.301 1.00 0.00 N ATOM 598 CA ALA T 39 -5.606 -3.344 9.420 1.00 0.00 C ATOM 599 C ALA T 39 -5.531 -4.721 8.787 1.00 0.00 C ATOM 600 O ALA T 39 -6.544 -5.330 8.447 1.00 0.00 O ATOM 601 CB ALA T 39 -5.639 -2.270 8.347 1.00 0.00 C ATOM 0 H ALA T 39 -3.644 -2.744 9.844 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.523 -3.272 10.006 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.498 -2.432 7.696 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.719 -1.289 8.816 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.724 -2.317 7.757 1.00 0.00 H new ATOM 607 N ARG T 40 -4.309 -5.204 8.648 1.00 0.00 N ATOM 608 CA ARG T 40 -4.054 -6.510 8.076 1.00 0.00 C ATOM 609 C ARG T 40 -4.470 -7.597 9.053 1.00 0.00 C ATOM 610 O ARG T 40 -4.918 -8.672 8.656 1.00 0.00 O ATOM 611 CB ARG T 40 -2.567 -6.636 7.762 1.00 0.00 C ATOM 612 CG ARG T 40 -2.122 -8.058 7.461 1.00 0.00 C ATOM 613 CD ARG T 40 -1.068 -8.538 8.446 1.00 0.00 C ATOM 614 NE ARG T 40 -1.064 -9.992 8.584 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.629 -10.627 9.668 1.00 0.00 C ATOM 616 NH1 ARG T 40 -0.169 -9.938 10.703 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.655 -11.952 9.718 1.00 0.00 N ATOM 0 H ARG T 40 -3.467 -4.701 8.929 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.633 -6.624 7.159 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.331 -6.003 6.907 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -1.993 -6.257 8.608 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.984 -8.724 7.497 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.723 -8.108 6.448 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.085 -8.203 8.115 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -1.249 -8.083 9.420 1.00 0.00 H new ATOM 0 HE ARG T 40 -1.414 -10.551 7.806 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -0.148 -8.919 10.669 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.164 -10.427 11.534 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -1.009 -12.485 8.924 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -0.321 -12.438 10.550 1.00 0.00 H new ATOM 631 N LYS T 41 -4.311 -7.302 10.338 1.00 0.00 N ATOM 632 CA LYS T 41 -4.662 -8.247 11.386 1.00 0.00 C ATOM 633 C LYS T 41 -6.171 -8.447 11.472 1.00 0.00 C ATOM 634 O LYS T 41 -6.643 -9.424 12.053 1.00 0.00 O ATOM 635 CB LYS T 41 -4.120 -7.771 12.735 1.00 0.00 C ATOM 636 CG LYS T 41 -2.668 -7.329 12.682 1.00 0.00 C ATOM 637 CD LYS T 41 -1.988 -7.481 14.033 1.00 0.00 C ATOM 638 CE LYS T 41 -0.938 -6.403 14.253 1.00 0.00 C ATOM 639 NZ LYS T 41 -1.459 -5.281 15.082 1.00 0.00 N ATOM 0 H LYS T 41 -3.941 -6.414 10.677 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.207 -9.205 11.135 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.731 -6.942 13.091 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.220 -8.576 13.463 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.134 -7.919 11.937 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.615 -6.288 12.362 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.735 -7.430 14.825 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.521 -8.464 14.098 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.066 -6.840 14.740 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.605 -6.018 13.289 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -0.922 -4.416 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -2.464 -5.126 14.864 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.355 -5.517 16.090 1.00 0.00 H new ATOM 653 N ILE T 42 -6.925 -7.519 10.892 1.00 0.00 N ATOM 654 CA ILE T 42 -8.377 -7.603 10.907 1.00 0.00 C ATOM 655 C ILE T 42 -8.883 -8.404 9.714 1.00 0.00 C ATOM 656 O ILE T 42 -10.034 -8.840 9.686 1.00 0.00 O ATOM 657 CB ILE T 42 -9.012 -6.203 10.882 1.00 0.00 C ATOM 658 CG1 ILE T 42 -8.933 -5.618 9.473 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.313 -5.290 11.880 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.229 -5.000 8.998 1.00 0.00 C ATOM 0 H ILE T 42 -6.553 -6.702 10.407 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.665 -8.107 11.829 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.061 -6.285 11.167 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.149 -4.861 9.447 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.640 -6.405 8.778 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.772 -4.302 11.852 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.408 -5.707 12.883 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.258 -5.207 11.620 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.096 -4.606 7.990 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.012 -5.758 8.991 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.514 -4.190 9.670 1.00 0.00 H new ATOM 672 N GLY T 43 -8.011 -8.592 8.729 1.00 0.00 N ATOM 673 CA GLY T 43 -8.377 -9.337 7.541 1.00 0.00 C ATOM 674 C GLY T 43 -8.043 -8.582 6.270 1.00 0.00 C ATOM 675 O GLY T 43 -8.524 -8.928 5.192 1.00 0.00 O ATOM 0 H GLY T 43 -7.054 -8.240 8.734 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -7.858 -10.295 7.540 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.445 -9.553 7.564 1.00 0.00 H new ATOM 679 N PHE T 44 -7.218 -7.545 6.396 1.00 0.00 N ATOM 680 CA PHE T 44 -6.827 -6.742 5.243 1.00 0.00 C ATOM 681 C PHE T 44 -5.689 -7.403 4.470 1.00 0.00 C ATOM 682 O PHE T 44 -4.523 -7.300 4.853 1.00 0.00 O ATOM 683 CB PHE T 44 -6.407 -5.341 5.690 1.00 0.00 C ATOM 684 CG PHE T 44 -6.445 -4.315 4.592 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.922 -4.642 3.332 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.001 -3.022 4.821 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.956 -3.701 2.324 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.032 -2.076 3.815 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.510 -2.417 2.565 1.00 0.00 C ATOM 0 H PHE T 44 -6.810 -7.243 7.281 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.690 -6.664 4.582 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.061 -5.017 6.499 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.396 -5.387 6.096 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.271 -5.645 3.137 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.627 -2.751 5.797 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.331 -3.969 1.347 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.683 -1.072 4.006 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.535 -1.679 1.776 1.00 0.00 H new ATOM 699 N HIS T 45 -6.037 -8.085 3.382 1.00 0.00 N ATOM 700 CA HIS T 45 -5.048 -8.767 2.554 1.00 0.00 C ATOM 701 C HIS T 45 -5.088 -8.259 1.114 1.00 0.00 C ATOM 702 O HIS T 45 -6.108 -8.374 0.435 1.00 0.00 O ATOM 703 CB HIS T 45 -5.296 -10.278 2.580 1.00 0.00 C ATOM 704 CG HIS T 45 -4.376 -11.072 1.700 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.123 -12.413 1.896 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.652 -10.710 0.614 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.284 -12.841 0.970 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.984 -11.828 0.180 1.00 0.00 N ATOM 0 H HIS T 45 -6.998 -8.180 3.053 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.060 -8.554 2.963 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.194 -10.633 3.606 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.325 -10.470 2.277 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.608 -9.726 0.172 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.908 -13.849 0.876 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.357 -11.869 -0.623 1.00 0.00 H new ATOM 717 N VAL T 46 -3.967 -7.710 0.651 1.00 0.00 N ATOM 718 CA VAL T 46 -3.873 -7.202 -0.714 1.00 0.00 C ATOM 719 C VAL T 46 -2.508 -7.509 -1.323 1.00 0.00 C ATOM 720 O VAL T 46 -1.552 -6.756 -1.137 1.00 0.00 O ATOM 721 CB VAL T 46 -4.118 -5.681 -0.789 1.00 0.00 C ATOM 722 CG1 VAL T 46 -5.109 -5.359 -1.896 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.609 -5.133 0.541 1.00 0.00 C ATOM 0 H VAL T 46 -3.114 -7.606 1.200 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.653 -7.710 -1.281 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.167 -5.199 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -5.272 -4.282 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.712 -5.702 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -6.055 -5.862 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.772 -4.059 0.454 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.545 -5.621 0.812 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.863 -5.326 1.312 1.00 0.00 H new ATOM 733 N CYS T 47 -2.424 -8.617 -2.053 1.00 0.00 N ATOM 734 CA CYS T 47 -1.176 -9.021 -2.692 1.00 0.00 C ATOM 735 C CYS T 47 -0.752 -8.009 -3.747 1.00 0.00 C ATOM 736 O CYS T 47 -1.119 -8.129 -4.916 1.00 0.00 O ATOM 737 CB CYS T 47 -1.327 -10.396 -3.338 1.00 0.00 C ATOM 738 SG CYS T 47 0.253 -11.245 -3.656 1.00 0.00 S ATOM 0 H CYS T 47 -3.206 -9.251 -2.217 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.407 -9.068 -1.920 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.941 -11.024 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.864 -10.286 -4.280 1.00 0.00 H new ATOM 0 HG CYS T 47 0.022 -12.402 -4.202 1.00 0.00 H new ATOM 743 N ALA T 48 0.022 -7.014 -3.329 1.00 0.00 N ATOM 744 CA ALA T 48 0.494 -5.982 -4.240 1.00 0.00 C ATOM 745 C ALA T 48 1.191 -4.861 -3.478 1.00 0.00 C ATOM 746 O ALA T 48 0.638 -4.304 -2.530 1.00 0.00 O ATOM 747 CB ALA T 48 -0.667 -5.433 -5.053 1.00 0.00 C ATOM 0 H ALA T 48 0.335 -6.901 -2.365 1.00 0.00 H new ATOM 0 HA ALA T 48 1.220 -6.428 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.303 -4.661 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.121 -6.239 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.411 -5.004 -4.381 1.00 0.00 H new ATOM 753 N ALA T 49 2.409 -4.538 -3.899 1.00 0.00 N ATOM 754 CA ALA T 49 3.185 -3.485 -3.256 1.00 0.00 C ATOM 755 C ALA T 49 2.338 -2.239 -3.028 1.00 0.00 C ATOM 756 O ALA T 49 2.099 -1.462 -3.951 1.00 0.00 O ATOM 757 CB ALA T 49 4.409 -3.147 -4.095 1.00 0.00 C ATOM 0 H ALA T 49 2.880 -4.990 -4.683 1.00 0.00 H new ATOM 0 HA ALA T 49 3.513 -3.851 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.980 -2.359 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.033 -4.034 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.092 -2.805 -5.080 1.00 0.00 H new ATOM 763 N GLY T 50 1.884 -2.056 -1.794 1.00 0.00 N ATOM 764 CA GLY T 50 1.068 -0.903 -1.469 1.00 0.00 C ATOM 765 C GLY T 50 1.849 0.184 -0.761 1.00 0.00 C ATOM 766 O GLY T 50 2.264 0.012 0.385 1.00 0.00 O ATOM 0 H GLY T 50 2.067 -2.686 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.638 -0.498 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.237 -1.217 -0.838 1.00 0.00 H new ATOM 770 N TRP T 51 2.053 1.305 -1.446 1.00 0.00 N ATOM 771 CA TRP T 51 2.794 2.426 -0.879 1.00 0.00 C ATOM 772 C TRP T 51 2.361 2.707 0.555 1.00 0.00 C ATOM 773 O TRP T 51 1.259 2.344 0.967 1.00 0.00 O ATOM 774 CB TRP T 51 2.598 3.677 -1.735 1.00 0.00 C ATOM 775 CG TRP T 51 3.467 3.701 -2.950 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.080 3.470 -4.237 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.871 3.969 -2.992 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.162 3.576 -5.079 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.273 3.882 -4.338 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.829 4.274 -2.020 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.592 4.091 -4.735 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.137 4.480 -2.415 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.508 4.388 -3.763 1.00 0.00 C ATOM 0 H TRP T 51 1.715 1.461 -2.396 1.00 0.00 H new ATOM 0 HA TRP T 51 3.850 2.157 -0.870 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.554 3.740 -2.042 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.806 4.560 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.072 3.238 -4.549 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.141 3.448 -6.091 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.551 4.347 -0.979 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.881 4.021 -5.773 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.885 4.716 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.538 4.555 -4.041 1.00 0.00 H new ATOM 794 N MET T 52 3.239 3.360 1.308 1.00 0.00 N ATOM 795 CA MET T 52 2.961 3.701 2.698 1.00 0.00 C ATOM 796 C MET T 52 4.085 4.555 3.276 1.00 0.00 C ATOM 797 O MET T 52 5.076 4.833 2.601 1.00 0.00 O ATOM 798 CB MET T 52 2.781 2.435 3.540 1.00 0.00 C ATOM 799 CG MET T 52 3.463 1.207 2.960 1.00 0.00 C ATOM 800 SD MET T 52 3.170 -0.280 3.936 1.00 0.00 S ATOM 801 CE MET T 52 4.800 -1.021 3.920 1.00 0.00 C ATOM 0 H MET T 52 4.154 3.665 0.977 1.00 0.00 H new ATOM 0 HA MET T 52 2.034 4.274 2.726 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.173 2.617 4.541 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.716 2.230 3.647 1.00 0.00 H new ATOM 0 HG2 MET T 52 3.106 1.045 1.943 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.536 1.389 2.896 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.772 -1.950 3.351 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.508 -0.333 3.457 1.00 0.00 H new ATOM 0 HE3 MET T 52 5.114 -1.231 4.942 1.00 0.00 H new ATOM 811 N ALA T 53 3.927 4.963 4.530 1.00 0.00 N ATOM 812 CA ALA T 53 4.930 5.780 5.201 1.00 0.00 C ATOM 813 C ALA T 53 5.330 6.980 4.351 1.00 0.00 C ATOM 814 O ALA T 53 4.657 7.320 3.378 1.00 0.00 O ATOM 815 CB ALA T 53 6.149 4.936 5.533 1.00 0.00 C ATOM 0 H ALA T 53 3.113 4.741 5.103 1.00 0.00 H new ATOM 0 HA ALA T 53 4.495 6.160 6.125 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.894 5.554 6.034 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.856 4.116 6.189 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.573 4.531 4.614 1.00 0.00 H new ATOM 821 N LYS T 54 6.428 7.620 4.734 1.00 0.00 N ATOM 822 CA LYS T 54 6.926 8.791 4.018 1.00 0.00 C ATOM 823 C LYS T 54 7.438 8.416 2.630 1.00 0.00 C ATOM 824 O LYS T 54 7.906 9.274 1.880 1.00 0.00 O ATOM 825 CB LYS T 54 8.044 9.461 4.819 1.00 0.00 C ATOM 826 CG LYS T 54 7.741 10.897 5.213 1.00 0.00 C ATOM 827 CD LYS T 54 7.035 10.976 6.558 1.00 0.00 C ATOM 828 CE LYS T 54 7.657 12.036 7.451 1.00 0.00 C ATOM 829 NZ LYS T 54 7.457 11.738 8.895 1.00 0.00 N ATOM 0 H LYS T 54 6.993 7.348 5.539 1.00 0.00 H new ATOM 0 HA LYS T 54 6.097 9.488 3.898 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.231 8.878 5.721 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.961 9.441 4.231 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.670 11.466 5.256 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.118 11.360 4.448 1.00 0.00 H new ATOM 0 HD2 LYS T 54 5.980 11.202 6.404 1.00 0.00 H new ATOM 0 HD3 LYS T 54 7.084 10.006 7.054 1.00 0.00 H new ATOM 0 HE2 LYS T 54 8.724 12.107 7.240 1.00 0.00 H new ATOM 0 HE3 LYS T 54 7.221 13.007 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 7.897 12.486 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 6.439 11.696 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 7.895 10.823 9.125 1.00 0.00 H new ATOM 843 N GLY T 55 7.350 7.134 2.291 1.00 0.00 N ATOM 844 CA GLY T 55 7.810 6.679 0.993 1.00 0.00 C ATOM 845 C GLY T 55 8.150 5.202 1.004 1.00 0.00 C ATOM 846 O GLY T 55 8.777 4.696 0.074 1.00 0.00 O ATOM 0 H GLY T 55 6.969 6.403 2.892 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.039 6.869 0.247 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.688 7.252 0.697 1.00 0.00 H new ATOM 850 N ARG T 56 7.735 4.510 2.059 1.00 0.00 N ATOM 851 CA ARG T 56 7.996 3.082 2.188 1.00 0.00 C ATOM 852 C ARG T 56 6.862 2.265 1.577 1.00 0.00 C ATOM 853 O ARG T 56 5.690 2.506 1.862 1.00 0.00 O ATOM 854 CB ARG T 56 8.175 2.707 3.661 1.00 0.00 C ATOM 855 CG ARG T 56 9.624 2.482 4.062 1.00 0.00 C ATOM 856 CD ARG T 56 9.810 2.622 5.564 1.00 0.00 C ATOM 857 NE ARG T 56 11.089 2.076 6.012 1.00 0.00 N ATOM 858 CZ ARG T 56 11.200 1.014 6.802 1.00 0.00 C ATOM 859 NH1 ARG T 56 10.113 0.387 7.230 1.00 0.00 N ATOM 860 NH2 ARG T 56 12.398 0.577 7.166 1.00 0.00 N ATOM 0 H ARG T 56 7.216 4.916 2.838 1.00 0.00 H new ATOM 0 HA ARG T 56 8.915 2.855 1.648 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.754 3.498 4.282 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.605 1.801 3.868 1.00 0.00 H new ATOM 0 HG2 ARG T 56 9.941 1.488 3.745 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.262 3.200 3.546 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.749 3.675 5.840 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.997 2.110 6.079 1.00 0.00 H new ATOM 0 HE ARG T 56 11.944 2.536 5.701 1.00 0.00 H new ATOM 0 HH11 ARG T 56 9.190 0.720 6.953 1.00 0.00 H new ATOM 0 HH12 ARG T 56 10.200 -0.428 7.837 1.00 0.00 H new ATOM 0 HH21 ARG T 56 13.237 1.057 6.839 1.00 0.00 H new ATOM 0 HH22 ARG T 56 12.481 -0.239 7.773 1.00 0.00 H new ATOM 874 N VAL T 57 7.218 1.299 0.738 1.00 0.00 N ATOM 875 CA VAL T 57 6.227 0.447 0.090 1.00 0.00 C ATOM 876 C VAL T 57 6.518 -1.026 0.354 1.00 0.00 C ATOM 877 O VAL T 57 7.642 -1.491 0.167 1.00 0.00 O ATOM 878 CB VAL T 57 6.182 0.689 -1.433 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.523 1.205 -1.931 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.782 -0.581 -2.171 1.00 0.00 C ATOM 0 H VAL T 57 8.184 1.086 0.490 1.00 0.00 H new ATOM 0 HA VAL T 57 5.258 0.707 0.516 1.00 0.00 H new ATOM 0 HB VAL T 57 5.427 1.448 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.472 1.370 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.760 2.144 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.299 0.471 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.757 -0.386 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.507 -1.367 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.795 -0.900 -1.837 1.00 0.00 H new ATOM 890 N GLY T 58 5.497 -1.757 0.792 1.00 0.00 N ATOM 891 CA GLY T 58 5.665 -3.170 1.076 1.00 0.00 C ATOM 892 C GLY T 58 4.530 -4.008 0.521 1.00 0.00 C ATOM 893 O GLY T 58 3.644 -3.492 -0.158 1.00 0.00 O ATOM 0 H GLY T 58 4.557 -1.396 0.955 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.608 -3.514 0.652 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.728 -3.316 2.154 1.00 0.00 H new ATOM 897 N TYR T 59 4.558 -5.305 0.811 1.00 0.00 N ATOM 898 CA TYR T 59 3.520 -6.215 0.334 1.00 0.00 C ATOM 899 C TYR T 59 2.779 -6.852 1.506 1.00 0.00 C ATOM 900 O TYR T 59 3.039 -7.999 1.869 1.00 0.00 O ATOM 901 CB TYR T 59 4.127 -7.305 -0.552 1.00 0.00 C ATOM 902 CG TYR T 59 5.391 -6.871 -1.262 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.464 -5.644 -1.910 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.510 -7.692 -1.284 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.617 -5.248 -2.560 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.667 -7.302 -1.932 1.00 0.00 C ATOM 907 CZ TYR T 59 7.716 -6.080 -2.567 1.00 0.00 C ATOM 908 OH TYR T 59 8.866 -5.689 -3.212 1.00 0.00 O ATOM 0 H TYR T 59 5.285 -5.749 1.372 1.00 0.00 H new ATOM 0 HA TYR T 59 2.809 -5.636 -0.255 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.346 -8.180 0.060 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.390 -7.611 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.605 -4.989 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.476 -8.650 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.657 -4.292 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.529 -7.952 -1.941 1.00 0.00 H new ATOM 0 HH TYR T 59 9.644 -5.922 -2.664 1.00 0.00 H new ATOM 918 N PRO T 60 1.844 -6.107 2.114 1.00 0.00 N ATOM 919 CA PRO T 60 1.058 -6.594 3.255 1.00 0.00 C ATOM 920 C PRO T 60 0.186 -7.791 2.890 1.00 0.00 C ATOM 921 O PRO T 60 -0.620 -7.725 1.962 1.00 0.00 O ATOM 922 CB PRO T 60 0.181 -5.396 3.638 1.00 0.00 C ATOM 923 CG PRO T 60 0.791 -4.214 2.965 1.00 0.00 C ATOM 924 CD PRO T 60 1.481 -4.733 1.739 1.00 0.00 C ATOM 0 HA PRO T 60 1.701 -6.941 4.064 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.848 -5.544 3.311 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.155 -5.260 4.719 1.00 0.00 H new ATOM 0 HG2 PRO T 60 0.028 -3.481 2.700 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.498 -3.713 3.626 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.825 -4.713 0.869 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.360 -4.138 1.489 1.00 0.00 H new ATOM 932 N ILE T 61 0.350 -8.883 3.630 1.00 0.00 N ATOM 933 CA ILE T 61 -0.424 -10.095 3.389 1.00 0.00 C ATOM 934 C ILE T 61 -1.038 -10.617 4.684 1.00 0.00 C ATOM 935 O ILE T 61 -0.516 -10.373 5.772 1.00 0.00 O ATOM 936 CB ILE T 61 0.444 -11.201 2.759 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.118 -10.685 1.486 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.399 -12.431 2.455 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.144 -10.329 0.384 1.00 0.00 C ATOM 0 H ILE T 61 1.013 -8.953 4.402 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.220 -9.832 2.692 1.00 0.00 H new ATOM 0 HB ILE T 61 1.219 -11.484 3.472 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.713 -9.805 1.731 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.808 -11.444 1.118 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.230 -13.202 2.010 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.838 -12.808 3.378 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.193 -12.164 1.758 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.694 -9.971 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.434 -11.212 0.110 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.531 -9.548 0.733 1.00 0.00 H new ATOM 951 N VAL T 62 -2.153 -11.330 4.561 1.00 0.00 N ATOM 952 CA VAL T 62 -2.841 -11.879 5.723 1.00 0.00 C ATOM 953 C VAL T 62 -2.572 -13.373 5.873 1.00 0.00 C ATOM 954 O VAL T 62 -1.952 -13.807 6.845 1.00 0.00 O ATOM 955 CB VAL T 62 -4.361 -11.641 5.631 1.00 0.00 C ATOM 956 CG1 VAL T 62 -5.113 -12.570 6.570 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.689 -10.187 5.934 1.00 0.00 C ATOM 0 H VAL T 62 -2.599 -11.541 3.668 1.00 0.00 H new ATOM 0 HA VAL T 62 -2.451 -11.361 6.599 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.681 -11.862 4.613 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -6.184 -12.383 6.487 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -4.904 -13.606 6.302 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -4.792 -12.389 7.596 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.766 -10.035 5.865 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.351 -9.940 6.941 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.185 -9.543 5.214 1.00 0.00 H new ATOM 1104 N THR T 73 4.618 -13.802 4.429 1.00 0.00 N ATOM 1105 CA THR T 73 3.784 -13.546 5.597 1.00 0.00 C ATOM 1106 C THR T 73 4.058 -12.162 6.174 1.00 0.00 C ATOM 1107 O THR T 73 5.198 -11.825 6.493 1.00 0.00 O ATOM 1108 CB THR T 73 4.015 -14.601 6.695 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.322 -15.171 6.561 1.00 0.00 O ATOM 1110 CG2 THR T 73 2.968 -15.703 6.617 1.00 0.00 C ATOM 0 HA THR T 73 2.748 -13.600 5.263 1.00 0.00 H new ATOM 0 HB THR T 73 3.931 -14.108 7.663 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.675 -14.973 5.669 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.152 -16.436 7.402 1.00 0.00 H new ATOM 0 HG22 THR T 73 1.976 -15.272 6.748 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.026 -16.191 5.644 1.00 0.00 H new ATOM 1118 N GLY T 74 3.004 -11.362 6.306 1.00 0.00 N ATOM 1119 CA GLY T 74 3.151 -10.022 6.842 1.00 0.00 C ATOM 1120 C GLY T 74 3.527 -9.022 5.767 1.00 0.00 C ATOM 1121 O GLY T 74 3.681 -9.386 4.600 1.00 0.00 O ATOM 0 H GLY T 74 2.050 -11.619 6.051 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.217 -9.715 7.313 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.915 -10.024 7.620 1.00 0.00 H new ATOM 1125 N ILE T 75 3.677 -7.760 6.155 1.00 0.00 N ATOM 1126 CA ILE T 75 4.038 -6.713 5.208 1.00 0.00 C ATOM 1127 C ILE T 75 5.501 -6.826 4.799 1.00 0.00 C ATOM 1128 O ILE T 75 6.403 -6.596 5.606 1.00 0.00 O ATOM 1129 CB ILE T 75 3.785 -5.308 5.786 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.346 -5.194 6.294 1.00 0.00 C ATOM 1131 CG2 ILE T 75 4.074 -4.248 4.732 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.814 -3.779 6.316 1.00 0.00 C ATOM 0 H ILE T 75 3.555 -7.439 7.115 1.00 0.00 H new ATOM 0 HA ILE T 75 3.404 -6.851 4.333 1.00 0.00 H new ATOM 0 HB ILE T 75 4.457 -5.146 6.629 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.699 -5.805 5.664 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.293 -5.607 7.301 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.892 -3.259 5.152 1.00 0.00 H new ATOM 0 HG22 ILE T 75 5.115 -4.322 4.417 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.423 -4.403 3.872 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.789 -3.781 6.688 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.436 -3.167 6.969 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.833 -3.367 5.307 1.00 0.00 H new ATOM 1144 N ILE T 76 5.727 -7.182 3.541 1.00 0.00 N ATOM 1145 CA ILE T 76 7.079 -7.326 3.018 1.00 0.00 C ATOM 1146 C ILE T 76 7.574 -6.019 2.410 1.00 0.00 C ATOM 1147 O ILE T 76 7.546 -5.837 1.192 1.00 0.00 O ATOM 1148 CB ILE T 76 7.156 -8.438 1.954 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.452 -9.705 2.447 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.606 -8.734 1.601 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.728 -10.027 3.900 1.00 0.00 C ATOM 0 H ILE T 76 4.990 -7.377 2.863 1.00 0.00 H new ATOM 0 HA ILE T 76 7.717 -7.597 3.860 1.00 0.00 H new ATOM 0 HB ILE T 76 6.646 -8.092 1.055 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.377 -9.591 2.307 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.766 -10.548 1.831 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.644 -9.522 0.848 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.076 -7.833 1.207 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.139 -9.060 2.494 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.196 -10.937 4.178 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.799 -10.174 4.043 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.388 -9.202 4.526 1.00 0.00 H new ATOM 1163 N ASP T 77 8.024 -5.109 3.267 1.00 0.00 N ATOM 1164 CA ASP T 77 8.523 -3.815 2.818 1.00 0.00 C ATOM 1165 C ASP T 77 10.047 -3.775 2.852 1.00 0.00 C ATOM 1166 O ASP T 77 10.665 -4.111 3.862 1.00 0.00 O ATOM 1167 CB ASP T 77 7.950 -2.697 3.691 1.00 0.00 C ATOM 1168 CG ASP T 77 8.776 -1.427 3.625 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.691 -0.716 2.602 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.508 -1.144 4.597 1.00 0.00 O ATOM 0 H ASP T 77 8.053 -5.244 4.278 1.00 0.00 H new ATOM 0 HA ASP T 77 8.200 -3.666 1.788 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.930 -2.480 3.374 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.897 -3.039 4.725 1.00 0.00 H new ATOM 1175 N TYR T 78 10.647 -3.363 1.740 1.00 0.00 N ATOM 1176 CA TYR T 78 12.098 -3.279 1.641 1.00 0.00 C ATOM 1177 C TYR T 78 12.584 -1.872 1.973 1.00 0.00 C ATOM 1178 O TYR T 78 13.722 -1.509 1.676 1.00 0.00 O ATOM 1179 CB TYR T 78 12.557 -3.674 0.236 1.00 0.00 C ATOM 1180 CG TYR T 78 12.261 -5.115 -0.115 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.953 -5.578 -0.182 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.290 -6.012 -0.375 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.678 -6.893 -0.500 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.023 -7.330 -0.694 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.716 -7.766 -0.754 1.00 0.00 C ATOM 1186 OH TYR T 78 11.445 -9.077 -1.071 1.00 0.00 O ATOM 0 H TYR T 78 10.150 -3.082 0.895 1.00 0.00 H new ATOM 0 HA TYR T 78 12.529 -3.972 2.364 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.071 -3.024 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.630 -3.501 0.151 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.138 -4.898 0.018 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.315 -5.674 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.655 -7.237 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.834 -8.015 -0.895 1.00 0.00 H new ATOM 0 HH TYR T 78 12.286 -9.558 -1.222 1.00 0.00 H new ATOM 1196 N GLY T 79 11.711 -1.084 2.593 1.00 0.00 N ATOM 1197 CA GLY T 79 12.065 0.275 2.958 1.00 0.00 C ATOM 1198 C GLY T 79 12.164 1.161 1.733 1.00 0.00 C ATOM 1199 O GLY T 79 12.146 0.674 0.603 1.00 0.00 O ATOM 0 H GLY T 79 10.764 -1.363 2.849 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.318 0.677 3.642 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.017 0.276 3.489 1.00 0.00 H new ATOM 1203 N ILE T 80 12.271 2.467 1.957 1.00 0.00 N ATOM 1204 CA ILE T 80 12.374 3.423 0.862 1.00 0.00 C ATOM 1205 C ILE T 80 13.596 3.133 -0.003 1.00 0.00 C ATOM 1206 O ILE T 80 14.734 3.283 0.443 1.00 0.00 O ATOM 1207 CB ILE T 80 12.458 4.870 1.383 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.350 5.134 2.405 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.366 5.856 0.228 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.697 6.203 3.417 1.00 0.00 C ATOM 0 H ILE T 80 12.289 2.886 2.887 1.00 0.00 H new ATOM 0 HA ILE T 80 11.471 3.316 0.261 1.00 0.00 H new ATOM 0 HB ILE T 80 13.421 5.006 1.876 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.443 5.428 1.876 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.126 4.207 2.932 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.427 6.874 0.613 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.188 5.681 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.417 5.721 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.864 6.334 4.108 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.585 5.903 3.973 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.892 7.143 2.901 1.00 0.00 H new ATOM 1222 N ARG T 81 13.353 2.716 -1.240 1.00 0.00 N ATOM 1223 CA ARG T 81 14.433 2.401 -2.167 1.00 0.00 C ATOM 1224 C ARG T 81 14.814 3.623 -2.997 1.00 0.00 C ATOM 1225 O ARG T 81 15.405 3.496 -4.070 1.00 0.00 O ATOM 1226 CB ARG T 81 14.022 1.252 -3.090 1.00 0.00 C ATOM 1227 CG ARG T 81 13.988 -0.100 -2.396 1.00 0.00 C ATOM 1228 CD ARG T 81 15.339 -0.795 -2.461 1.00 0.00 C ATOM 1229 NE ARG T 81 16.367 -0.061 -1.729 1.00 0.00 N ATOM 1230 CZ ARG T 81 16.963 -0.524 -0.636 1.00 0.00 C ATOM 1231 NH1 ARG T 81 16.637 -1.714 -0.153 1.00 0.00 N ATOM 1232 NH2 ARG T 81 17.889 0.205 -0.026 1.00 0.00 N ATOM 0 H ARG T 81 12.417 2.588 -1.624 1.00 0.00 H new ATOM 0 HA ARG T 81 15.301 2.097 -1.583 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.036 1.464 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.717 1.204 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.696 0.032 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG T 81 13.231 -0.730 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG T 81 15.250 -1.801 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG T 81 15.642 -0.902 -3.503 1.00 0.00 H new ATOM 0 HE ARG T 81 16.643 0.858 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG T 81 15.927 -2.277 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG T 81 17.096 -2.067 0.687 1.00 0.00 H new ATOM 0 HH21 ARG T 81 18.143 1.121 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG T 81 18.347 -0.150 0.813 1.00 0.00 H new ATOM 1246 N LEU T 82 14.472 4.805 -2.494 1.00 0.00 N ATOM 1247 CA LEU T 82 14.777 6.050 -3.190 1.00 0.00 C ATOM 1248 C LEU T 82 14.291 5.999 -4.634 1.00 0.00 C ATOM 1249 O LEU T 82 15.043 6.288 -5.564 1.00 0.00 O ATOM 1250 CB LEU T 82 16.282 6.322 -3.155 1.00 0.00 C ATOM 1251 CG LEU T 82 16.685 7.786 -2.960 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.336 8.605 -4.192 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.011 8.364 -1.725 1.00 0.00 C ATOM 0 H LEU T 82 13.983 4.927 -1.607 1.00 0.00 H new ATOM 0 HA LEU T 82 14.256 6.860 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.721 5.733 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.720 5.964 -4.087 1.00 0.00 H new ATOM 0 HG LEU T 82 17.764 7.829 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.630 9.643 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.866 8.205 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.262 8.555 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.309 9.405 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.929 8.307 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.312 7.794 -0.846 1.00 0.00 H new ATOM 1265 N ASN T 83 13.028 5.628 -4.814 1.00 0.00 N ATOM 1266 CA ASN T 83 12.442 5.538 -6.145 1.00 0.00 C ATOM 1267 C ASN T 83 10.939 5.788 -6.097 1.00 0.00 C ATOM 1268 O ASN T 83 10.141 4.891 -6.367 1.00 0.00 O ATOM 1269 CB ASN T 83 12.723 4.163 -6.754 1.00 0.00 C ATOM 1270 CG ASN T 83 13.077 4.247 -8.226 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.352 3.738 -9.082 1.00 0.00 O ATOM 1272 ND2 ASN T 83 14.198 4.891 -8.529 1.00 0.00 N ATOM 0 H ASN T 83 12.391 5.385 -4.055 1.00 0.00 H new ATOM 0 HA ASN T 83 12.899 6.306 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.541 3.689 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.847 3.527 -6.629 1.00 0.00 H new ATOM 0 HD21 ASN T 83 14.488 4.979 -9.503 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.769 5.298 -7.788 1.00 0.00 H new ATOM 1279 N ARG T 84 10.559 7.015 -5.752 1.00 0.00 N ATOM 1280 CA ARG T 84 9.153 7.383 -5.669 1.00 0.00 C ATOM 1281 C ARG T 84 8.501 7.357 -7.048 1.00 0.00 C ATOM 1282 O ARG T 84 7.296 7.574 -7.178 1.00 0.00 O ATOM 1283 CB ARG T 84 9.013 8.774 -5.051 1.00 0.00 C ATOM 1284 CG ARG T 84 9.426 8.836 -3.591 1.00 0.00 C ATOM 1285 CD ARG T 84 9.208 10.221 -3.005 1.00 0.00 C ATOM 1286 NE ARG T 84 10.395 11.064 -3.128 1.00 0.00 N ATOM 1287 CZ ARG T 84 10.624 11.865 -4.164 1.00 0.00 C ATOM 1288 NH1 ARG T 84 9.754 11.928 -5.164 1.00 0.00 N ATOM 1289 NH2 ARG T 84 11.724 12.602 -4.203 1.00 0.00 N ATOM 0 H ARG T 84 11.207 7.770 -5.526 1.00 0.00 H new ATOM 0 HA ARG T 84 8.645 6.655 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.619 9.478 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.977 9.099 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.854 8.105 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.477 8.562 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG T 84 8.370 10.700 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG T 84 8.936 10.130 -1.953 1.00 0.00 H new ATOM 0 HE ARG T 84 11.086 11.036 -2.378 1.00 0.00 H new ATOM 0 HH11 ARG T 84 8.907 11.361 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG T 84 9.933 12.544 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG T 84 12.397 12.555 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG T 84 11.898 13.216 -4.998 1.00 0.00 H new ATOM 1303 N SER T 85 9.303 7.089 -8.072 1.00 0.00 N ATOM 1304 CA SER T 85 8.802 7.033 -9.440 1.00 0.00 C ATOM 1305 C SER T 85 8.538 5.591 -9.862 1.00 0.00 C ATOM 1306 O SER T 85 8.440 5.288 -11.051 1.00 0.00 O ATOM 1307 CB SER T 85 9.803 7.681 -10.400 1.00 0.00 C ATOM 1308 OG SER T 85 9.601 9.082 -10.477 1.00 0.00 O ATOM 0 H SER T 85 10.303 6.907 -7.981 1.00 0.00 H new ATOM 0 HA SER T 85 7.862 7.584 -9.479 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.819 7.475 -10.065 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.699 7.240 -11.391 1.00 0.00 H new ATOM 0 HG SER T 85 10.253 9.473 -11.095 1.00 0.00 H new ATOM 1314 N GLU T 86 8.421 4.706 -8.876 1.00 0.00 N ATOM 1315 CA GLU T 86 8.167 3.295 -9.143 1.00 0.00 C ATOM 1316 C GLU T 86 6.715 3.078 -9.558 1.00 0.00 C ATOM 1317 O GLU T 86 5.974 4.036 -9.782 1.00 0.00 O ATOM 1318 CB GLU T 86 8.484 2.457 -7.903 1.00 0.00 C ATOM 1319 CG GLU T 86 9.948 2.059 -7.798 1.00 0.00 C ATOM 1320 CD GLU T 86 10.210 0.661 -8.323 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.618 0.296 -9.360 1.00 0.00 O ATOM 1322 OE2 GLU T 86 11.005 -0.069 -7.696 1.00 0.00 O ATOM 0 H GLU T 86 8.498 4.941 -7.886 1.00 0.00 H new ATOM 0 HA GLU T 86 8.814 2.980 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.204 3.020 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.871 1.556 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.556 2.772 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.263 2.117 -6.756 1.00 0.00 H new ATOM 1329 N ARG T 87 6.313 1.816 -9.654 1.00 0.00 N ATOM 1330 CA ARG T 87 4.948 1.479 -10.040 1.00 0.00 C ATOM 1331 C ARG T 87 4.410 0.330 -9.196 1.00 0.00 C ATOM 1332 O ARG T 87 4.899 -0.796 -9.277 1.00 0.00 O ATOM 1333 CB ARG T 87 4.883 1.104 -11.517 1.00 0.00 C ATOM 1334 CG ARG T 87 6.010 0.194 -11.968 1.00 0.00 C ATOM 1335 CD ARG T 87 6.327 0.379 -13.443 1.00 0.00 C ATOM 1336 NE ARG T 87 5.789 -0.707 -14.256 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.112 -0.518 -15.383 1.00 0.00 C ATOM 1338 NH1 ARG T 87 4.893 0.713 -15.829 1.00 0.00 N ATOM 1339 NH2 ARG T 87 4.653 -1.558 -16.066 1.00 0.00 N ATOM 0 H ARG T 87 6.911 1.011 -9.470 1.00 0.00 H new ATOM 0 HA ARG T 87 4.329 2.360 -9.868 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.930 0.613 -11.716 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.903 2.015 -12.115 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.902 0.399 -11.376 1.00 0.00 H new ATOM 0 HG3 ARG T 87 5.736 -0.844 -11.782 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.915 1.328 -13.787 1.00 0.00 H new ATOM 0 HD3 ARG T 87 7.407 0.433 -13.578 1.00 0.00 H new ATOM 0 HE ARG T 87 5.941 -1.665 -13.941 1.00 0.00 H new ATOM 0 HH11 ARG T 87 5.245 1.515 -15.306 1.00 0.00 H new ATOM 0 HH12 ARG T 87 4.373 0.857 -16.695 1.00 0.00 H new ATOM 0 HH21 ARG T 87 4.820 -2.505 -15.726 1.00 0.00 H new ATOM 0 HH22 ARG T 87 4.133 -1.411 -16.931 1.00 0.00 H new ATOM 1353 N TRP T 88 3.396 0.627 -8.395 1.00 0.00 N ATOM 1354 CA TRP T 88 2.773 -0.372 -7.533 1.00 0.00 C ATOM 1355 C TRP T 88 1.312 -0.020 -7.283 1.00 0.00 C ATOM 1356 O TRP T 88 0.580 0.336 -8.206 1.00 0.00 O ATOM 1357 CB TRP T 88 3.515 -0.468 -6.195 1.00 0.00 C ATOM 1358 CG TRP T 88 5.006 -0.439 -6.320 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.831 0.607 -6.021 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.851 -1.503 -6.771 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.138 0.258 -6.261 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.177 -1.032 -6.722 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.616 -2.808 -7.212 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.262 -1.820 -7.098 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.694 -3.590 -7.584 1.00 0.00 C ATOM 1366 CH2 TRP T 88 8.002 -3.094 -7.524 1.00 0.00 C ATOM 0 H TRP T 88 2.984 1.557 -8.323 1.00 0.00 H new ATOM 0 HA TRP T 88 2.827 -1.337 -8.038 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.199 0.357 -5.556 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.221 -1.390 -5.694 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.504 1.567 -5.650 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.948 0.861 -6.119 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.610 -3.199 -7.261 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.272 -1.439 -7.055 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.524 -4.600 -7.927 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.823 -3.730 -7.820 1.00 0.00 H new ATOM 1377 N ASP T 89 0.897 -0.113 -6.024 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.471 0.205 -5.642 1.00 0.00 C ATOM 1379 C ASP T 89 -0.486 1.313 -4.599 1.00 0.00 C ATOM 1380 O ASP T 89 0.548 1.910 -4.299 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.176 -1.037 -5.095 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.760 -2.299 -5.824 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.428 -2.672 -5.736 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.625 -2.915 -6.482 1.00 0.00 O ATOM 0 H ASP T 89 1.492 -0.407 -5.250 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.004 0.549 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -0.952 -1.142 -4.033 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.255 -0.908 -5.182 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.661 1.586 -4.047 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.801 2.626 -3.039 1.00 0.00 C ATOM 1391 C ALA T 90 -2.848 2.249 -1.997 1.00 0.00 C ATOM 1392 O ALA T 90 -3.921 1.749 -2.336 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.168 3.946 -3.697 1.00 0.00 C ATOM 0 H ALA T 90 -2.528 1.103 -4.280 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.843 2.734 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.270 4.717 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.385 4.232 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.112 3.836 -4.231 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.537 2.502 -0.730 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.459 2.201 0.354 1.00 0.00 C ATOM 1401 C TYR T 91 -4.155 3.475 0.815 1.00 0.00 C ATOM 1402 O TYR T 91 -3.540 4.333 1.441 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.710 1.557 1.521 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.479 0.070 1.361 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.535 -0.833 1.424 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.202 -0.432 1.146 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.323 -2.191 1.279 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.983 -1.789 0.999 1.00 0.00 C ATOM 1409 CZ TYR T 91 -2.046 -2.663 1.067 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.831 -4.014 0.921 1.00 0.00 O ATOM 0 H TYR T 91 -1.653 2.915 -0.431 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.211 1.500 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.747 2.053 1.638 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.272 1.730 2.439 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.538 -0.467 1.589 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.366 0.249 1.093 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.154 -2.879 1.332 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.017 -2.162 0.832 1.00 0.00 H new ATOM 0 HH TYR T 91 -1.293 -4.175 0.118 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.435 3.601 0.487 1.00 0.00 N ATOM 1421 CA CYS T 92 -6.201 4.783 0.856 1.00 0.00 C ATOM 1422 C CYS T 92 -6.783 4.651 2.260 1.00 0.00 C ATOM 1423 O CYS T 92 -7.345 3.618 2.616 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.319 5.017 -0.156 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.770 5.817 -1.699 1.00 0.00 S ATOM 0 H CYS T 92 -5.963 2.900 -0.033 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.526 5.639 0.852 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.780 4.060 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.090 5.634 0.306 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.638 5.708 3.053 1.00 0.00 N ATOM 1431 CA TYR T 93 -7.144 5.724 4.419 1.00 0.00 C ATOM 1432 C TYR T 93 -7.912 7.012 4.690 1.00 0.00 C ATOM 1433 O TYR T 93 -7.386 8.110 4.512 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.984 5.589 5.407 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.403 5.677 6.860 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -7.026 6.814 7.362 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -6.174 4.620 7.732 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -7.408 6.894 8.687 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.554 4.691 9.058 1.00 0.00 C ATOM 1440 CZ TYR T 93 -7.170 5.830 9.532 1.00 0.00 C ATOM 1441 OH TYR T 93 -7.550 5.904 10.852 1.00 0.00 O ATOM 0 H TYR T 93 -6.171 6.569 2.770 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.824 4.882 4.548 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.486 4.634 5.240 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.252 6.370 5.202 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -7.215 7.650 6.704 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.690 3.726 7.366 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.891 7.785 9.060 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.370 3.858 9.721 1.00 0.00 H new ATOM 0 HH TYR T 93 -7.311 5.070 11.309 1.00 0.00 H new ATOM 1451 N ASN T 94 -9.159 6.871 5.124 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.997 8.025 5.423 1.00 0.00 C ATOM 1453 C ASN T 94 -10.714 7.839 6.757 1.00 0.00 C ATOM 1454 O ASN T 94 -11.040 6.717 7.144 1.00 0.00 O ATOM 1455 CB ASN T 94 -11.019 8.238 4.305 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.371 8.370 2.940 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.709 7.448 2.464 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.561 9.519 2.304 1.00 0.00 N ATOM 0 H ASN T 94 -9.611 5.970 5.276 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.358 8.905 5.493 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.718 7.401 4.292 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.600 9.136 4.515 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.151 9.665 1.382 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.117 10.256 2.737 1.00 0.00 H new