USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 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 150:sc= -2.12! USER MOD Set 1.2: T 35 GLN : amide:sc= -0.0238 K(o=-2.1,f=-5.1!) USER MOD Set 2.1: T 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: T 3 TYR OH : rot 19:sc= 0.177 USER MOD Set 3.2: T 94 ASN : amide:sc= -3.41 K(o=-3.2,f=-9!) USER MOD Single : T 4 HIS : no HE2:sc= -5.76! C(o=-5.8!,f=-8.6!) USER MOD Single : T 9 SER OG : rot 180:sc= -0.181 USER MOD Single : T 11 LYS NZ :NH3+ -173:sc= -0.319 (180deg=-0.512) 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= 0.0298 USER MOD Single : T 29 HIS : no HE2:sc= -1.95 K(o=-1.9,f=-3.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS :FLIP no HD1:sc= -4.84! C(o=-7.2!,f=-4.8!) USER MOD Single : T 47 CYS SG : rot -52:sc= -0.206 USER MOD Single : T 52 MET CE :methyl -143:sc= -0.121 (180deg=-2.08!) USER MOD Single : T 59 TYR OH : rot 148:sc= 0.751 USER MOD Single : T 73 THR OG1 : rot -21:sc= 0.711 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 135:sc= -2.08 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.400 2.346 7.353 1.00 0.00 N ATOM 11 CA VAL T 2 -7.441 2.246 6.259 1.00 0.00 C ATOM 12 C VAL T 2 -7.878 1.207 5.235 1.00 0.00 C ATOM 13 O VAL T 2 -8.484 0.193 5.583 1.00 0.00 O ATOM 14 CB VAL T 2 -6.035 1.884 6.773 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.119 0.878 7.908 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.167 1.355 5.644 1.00 0.00 C ATOM 0 HA VAL T 2 -7.404 3.226 5.784 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.571 2.792 7.159 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.114 0.637 8.255 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.695 1.304 8.730 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.608 -0.030 7.554 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.179 1.106 6.031 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.626 0.462 5.220 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.072 2.117 4.870 1.00 0.00 H new ATOM 26 N TYR T 3 -7.563 1.464 3.971 1.00 0.00 N ATOM 27 CA TYR T 3 -7.922 0.545 2.894 1.00 0.00 C ATOM 28 C TYR T 3 -6.928 0.633 1.741 1.00 0.00 C ATOM 29 O TYR T 3 -5.994 1.434 1.770 1.00 0.00 O ATOM 30 CB TYR T 3 -9.338 0.830 2.390 1.00 0.00 C ATOM 31 CG TYR T 3 -9.571 2.270 1.988 1.00 0.00 C ATOM 32 CD1 TYR T 3 -9.528 3.291 2.929 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.836 2.607 0.667 1.00 0.00 C ATOM 34 CE1 TYR T 3 -9.743 4.606 2.565 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.051 3.920 0.295 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.004 4.916 1.247 1.00 0.00 C ATOM 37 OH TYR T 3 -10.219 6.225 0.880 1.00 0.00 O ATOM 0 H TYR T 3 -7.061 2.298 3.666 1.00 0.00 H new ATOM 0 HA TYR T 3 -7.890 -0.467 3.298 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.544 0.187 1.534 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.051 0.561 3.170 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.323 3.053 3.962 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.875 1.830 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -9.707 5.388 3.309 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.255 4.165 -0.737 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.868 6.821 1.574 1.00 0.00 H new ATOM 47 N HIS T 4 -7.135 -0.204 0.728 1.00 0.00 N ATOM 48 CA HIS T 4 -6.254 -0.230 -0.434 1.00 0.00 C ATOM 49 C HIS T 4 -6.979 0.257 -1.686 1.00 0.00 C ATOM 50 O HIS T 4 -8.209 0.278 -1.737 1.00 0.00 O ATOM 51 CB HIS T 4 -5.718 -1.645 -0.660 1.00 0.00 C ATOM 52 CG HIS T 4 -5.214 -1.883 -2.049 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.959 -2.517 -3.022 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.033 -1.564 -2.630 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.259 -2.578 -4.140 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.087 -2.006 -3.930 1.00 0.00 N ATOM 0 H HIS T 4 -7.905 -0.872 0.689 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.420 0.443 -0.238 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -4.911 -1.835 0.047 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.509 -2.363 -0.442 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.903 -2.882 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.204 -1.057 -2.159 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.589 -3.020 -5.068 1.00 0.00 H new ATOM 65 N ARG T 5 -6.205 0.651 -2.691 1.00 0.00 N ATOM 66 CA ARG T 5 -6.761 1.142 -3.943 1.00 0.00 C ATOM 67 C ARG T 5 -5.741 1.034 -5.074 1.00 0.00 C ATOM 68 O ARG T 5 -4.538 0.943 -4.830 1.00 0.00 O ATOM 69 CB ARG T 5 -7.201 2.594 -3.779 1.00 0.00 C ATOM 70 CG ARG T 5 -8.219 3.048 -4.811 1.00 0.00 C ATOM 71 CD ARG T 5 -9.590 2.446 -4.545 1.00 0.00 C ATOM 72 NE ARG T 5 -10.388 3.276 -3.647 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.717 3.280 -3.636 1.00 0.00 C ATOM 74 NH1 ARG T 5 -12.392 2.499 -4.469 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.373 4.064 -2.791 1.00 0.00 N ATOM 0 H ARG T 5 -5.186 0.639 -2.661 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.623 0.527 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.624 2.725 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.324 3.238 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.290 4.136 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.882 2.761 -5.807 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -10.120 2.320 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.472 1.453 -4.111 1.00 0.00 H new ATOM 0 HE ARG T 5 -9.899 3.886 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -11.891 1.894 -5.120 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -13.412 2.504 -4.459 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -11.858 4.665 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.393 4.066 -2.784 1.00 0.00 H new ATOM 89 N GLU T 6 -6.229 1.049 -6.311 1.00 0.00 N ATOM 90 CA GLU T 6 -5.358 0.959 -7.479 1.00 0.00 C ATOM 91 C GLU T 6 -5.429 2.234 -8.308 1.00 0.00 C ATOM 92 O GLU T 6 -5.989 3.241 -7.873 1.00 0.00 O ATOM 93 CB GLU T 6 -5.740 -0.245 -8.342 1.00 0.00 C ATOM 94 CG GLU T 6 -7.048 -0.064 -9.096 1.00 0.00 C ATOM 95 CD GLU T 6 -8.248 -0.004 -8.171 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.571 -1.037 -7.550 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.864 1.078 -8.069 1.00 0.00 O ATOM 0 H GLU T 6 -7.222 1.123 -6.531 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.335 0.831 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.941 -0.436 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.816 -1.127 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -7.001 0.852 -9.684 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.176 -0.888 -9.799 1.00 0.00 H new ATOM 104 N ALA T 7 -4.856 2.185 -9.505 1.00 0.00 N ATOM 105 CA ALA T 7 -4.854 3.337 -10.399 1.00 0.00 C ATOM 106 C ALA T 7 -5.995 3.254 -11.406 1.00 0.00 C ATOM 107 O ALA T 7 -6.417 2.166 -11.793 1.00 0.00 O ATOM 108 CB ALA T 7 -3.519 3.440 -11.122 1.00 0.00 C ATOM 0 H ALA T 7 -4.387 1.360 -9.879 1.00 0.00 H new ATOM 0 HA ALA T 7 -5.001 4.233 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.531 4.304 -11.786 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.718 3.554 -10.392 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.351 2.535 -11.706 1.00 0.00 H new ATOM 114 N ARG T 8 -6.489 4.414 -11.827 1.00 0.00 N ATOM 115 CA ARG T 8 -7.581 4.474 -12.793 1.00 0.00 C ATOM 116 C ARG T 8 -7.189 3.781 -14.093 1.00 0.00 C ATOM 117 O ARG T 8 -8.048 3.386 -14.882 1.00 0.00 O ATOM 118 CB ARG T 8 -7.965 5.928 -13.072 1.00 0.00 C ATOM 119 CG ARG T 8 -8.724 6.589 -11.934 1.00 0.00 C ATOM 120 CD ARG T 8 -10.218 6.640 -12.208 1.00 0.00 C ATOM 121 NE ARG T 8 -10.762 7.982 -12.020 1.00 0.00 N ATOM 122 CZ ARG T 8 -11.168 8.760 -13.018 1.00 0.00 C ATOM 123 NH1 ARG T 8 -11.093 8.329 -14.270 1.00 0.00 N ATOM 124 NH2 ARG T 8 -11.650 9.969 -12.765 1.00 0.00 N ATOM 0 H ARG T 8 -6.151 5.324 -11.515 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.441 3.956 -12.368 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -7.060 6.501 -13.274 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.575 5.967 -13.974 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.542 6.041 -11.009 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.347 7.601 -11.785 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -10.411 6.310 -13.229 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -10.732 5.944 -11.545 1.00 0.00 H new ATOM 0 HE ARG T 8 -10.834 8.343 -11.069 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -10.723 7.399 -14.468 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -11.405 8.927 -15.035 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -11.710 10.303 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -11.961 10.565 -13.532 1.00 0.00 H new ATOM 138 N SER T 9 -5.886 3.635 -14.308 1.00 0.00 N ATOM 139 CA SER T 9 -5.375 2.988 -15.510 1.00 0.00 C ATOM 140 C SER T 9 -5.083 1.513 -15.250 1.00 0.00 C ATOM 141 O SER T 9 -5.050 0.704 -16.177 1.00 0.00 O ATOM 142 CB SER T 9 -4.108 3.694 -15.996 1.00 0.00 C ATOM 143 OG SER T 9 -4.041 3.708 -17.411 1.00 0.00 O ATOM 0 H SER T 9 -5.164 3.957 -13.664 1.00 0.00 H new ATOM 0 HA SER T 9 -6.139 3.058 -16.284 1.00 0.00 H new ATOM 0 HB2 SER T 9 -4.090 4.716 -15.618 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.230 3.190 -15.593 1.00 0.00 H new ATOM 0 HG SER T 9 -3.223 4.166 -17.695 1.00 0.00 H new ATOM 149 N GLY T 10 -4.873 1.172 -13.983 1.00 0.00 N ATOM 150 CA GLY T 10 -4.589 -0.205 -13.623 1.00 0.00 C ATOM 151 C GLY T 10 -3.602 -0.313 -12.477 1.00 0.00 C ATOM 152 O GLY T 10 -2.951 0.667 -12.114 1.00 0.00 O ATOM 0 H GLY T 10 -4.894 1.824 -13.199 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.518 -0.704 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.191 -0.730 -14.492 1.00 0.00 H new ATOM 156 N LYS T 11 -3.491 -1.509 -11.910 1.00 0.00 N ATOM 157 CA LYS T 11 -2.578 -1.750 -10.798 1.00 0.00 C ATOM 158 C LYS T 11 -1.128 -1.573 -11.237 1.00 0.00 C ATOM 159 O LYS T 11 -0.825 -1.580 -12.430 1.00 0.00 O ATOM 160 CB LYS T 11 -2.785 -3.161 -10.241 1.00 0.00 C ATOM 161 CG LYS T 11 -1.997 -3.431 -8.970 1.00 0.00 C ATOM 162 CD LYS T 11 -2.290 -4.816 -8.419 1.00 0.00 C ATOM 163 CE LYS T 11 -1.213 -5.814 -8.814 1.00 0.00 C ATOM 164 NZ LYS T 11 -0.936 -5.783 -10.277 1.00 0.00 N ATOM 0 H LYS T 11 -4.023 -2.329 -12.203 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.794 -1.021 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.846 -3.312 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.497 -3.889 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.930 -3.338 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.245 -2.680 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.362 -4.768 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.257 -5.158 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.296 -5.595 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.525 -6.818 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.285 -6.556 -10.524 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.826 -5.900 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -0.503 -4.872 -10.529 1.00 0.00 H new ATOM 178 N TYR T 12 -0.235 -1.414 -10.265 1.00 0.00 N ATOM 179 CA TYR T 12 1.184 -1.234 -10.550 1.00 0.00 C ATOM 180 C TYR T 12 1.397 -0.084 -11.528 1.00 0.00 C ATOM 181 O TYR T 12 2.248 -0.158 -12.414 1.00 0.00 O ATOM 182 CB TYR T 12 1.780 -2.524 -11.119 1.00 0.00 C ATOM 183 CG TYR T 12 2.062 -3.576 -10.069 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.620 -3.417 -8.762 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.772 -4.727 -10.386 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.875 -4.375 -7.800 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.032 -5.691 -9.430 1.00 0.00 C ATOM 188 CZ TYR T 12 2.582 -5.510 -8.140 1.00 0.00 C ATOM 189 OH TYR T 12 2.838 -6.467 -7.185 1.00 0.00 O ATOM 0 H TYR T 12 -0.469 -1.406 -9.272 1.00 0.00 H new ATOM 0 HA TYR T 12 1.691 -0.992 -9.616 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.094 -2.936 -11.859 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.707 -2.287 -11.641 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.067 -2.529 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.127 -4.871 -11.396 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.523 -4.236 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.585 -6.581 -9.693 1.00 0.00 H new ATOM 0 HH TYR T 12 3.345 -7.203 -7.587 1.00 0.00 H new ATOM 199 N LYS T 13 0.614 0.975 -11.361 1.00 0.00 N ATOM 200 CA LYS T 13 0.708 2.142 -12.227 1.00 0.00 C ATOM 201 C LYS T 13 0.697 3.429 -11.408 1.00 0.00 C ATOM 202 O LYS T 13 0.671 4.528 -11.962 1.00 0.00 O ATOM 203 CB LYS T 13 -0.454 2.146 -13.220 1.00 0.00 C ATOM 204 CG LYS T 13 -0.096 1.581 -14.583 1.00 0.00 C ATOM 205 CD LYS T 13 -0.774 2.352 -15.704 1.00 0.00 C ATOM 206 CE LYS T 13 -1.618 1.440 -16.580 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.952 1.141 -17.876 1.00 0.00 N ATOM 0 H LYS T 13 -0.095 1.049 -10.631 1.00 0.00 H new ATOM 0 HA LYS T 13 1.650 2.091 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.279 1.568 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.811 3.168 -13.343 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.985 1.615 -14.719 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.390 0.533 -14.632 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.403 3.134 -15.279 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -0.019 2.847 -16.315 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.815 0.508 -16.050 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.583 1.910 -16.768 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.560 0.517 -18.443 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -0.787 2.027 -18.394 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.042 0.670 -17.698 1.00 0.00 H new ATOM 221 N LEU T 14 0.709 3.286 -10.085 1.00 0.00 N ATOM 222 CA LEU T 14 0.692 4.437 -9.191 1.00 0.00 C ATOM 223 C LEU T 14 2.045 4.642 -8.522 1.00 0.00 C ATOM 224 O LEU T 14 2.692 3.686 -8.095 1.00 0.00 O ATOM 225 CB LEU T 14 -0.382 4.254 -8.120 1.00 0.00 C ATOM 226 CG LEU T 14 -1.785 4.719 -8.515 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.836 3.972 -7.708 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.924 6.220 -8.322 1.00 0.00 C ATOM 0 H LEU T 14 0.730 2.384 -9.610 1.00 0.00 H new ATOM 0 HA LEU T 14 0.468 5.319 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.429 3.198 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.076 4.796 -7.225 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.940 4.497 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.829 4.313 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.749 2.902 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.684 4.164 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.928 6.532 -8.608 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.751 6.470 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.193 6.736 -8.944 1.00 0.00 H new ATOM 240 N THR T 15 2.456 5.900 -8.420 1.00 0.00 N ATOM 241 CA THR T 15 3.719 6.246 -7.787 1.00 0.00 C ATOM 242 C THR T 15 3.462 6.948 -6.461 1.00 0.00 C ATOM 243 O THR T 15 2.454 7.632 -6.306 1.00 0.00 O ATOM 244 CB THR T 15 4.572 7.160 -8.686 1.00 0.00 C ATOM 245 OG1 THR T 15 4.160 8.524 -8.530 1.00 0.00 O ATOM 246 CG2 THR T 15 4.448 6.754 -10.146 1.00 0.00 C ATOM 0 H THR T 15 1.929 6.700 -8.770 1.00 0.00 H new ATOM 0 HA THR T 15 4.267 5.319 -7.619 1.00 0.00 H new ATOM 0 HB THR T 15 5.614 7.057 -8.384 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.708 9.099 -9.104 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.060 7.415 -10.761 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.789 5.726 -10.268 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.406 6.830 -10.458 1.00 0.00 H new ATOM 254 N TYR T 16 4.367 6.774 -5.506 1.00 0.00 N ATOM 255 CA TYR T 16 4.213 7.397 -4.196 1.00 0.00 C ATOM 256 C TYR T 16 3.544 8.764 -4.319 1.00 0.00 C ATOM 257 O TYR T 16 2.684 9.120 -3.512 1.00 0.00 O ATOM 258 CB TYR T 16 5.571 7.543 -3.511 1.00 0.00 C ATOM 259 CG TYR T 16 5.515 8.331 -2.222 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.990 7.771 -1.064 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.987 9.636 -2.166 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.937 8.491 0.114 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.939 10.362 -0.991 1.00 0.00 C ATOM 264 CZ TYR T 16 5.413 9.785 0.146 1.00 0.00 C ATOM 265 OH TYR T 16 5.363 10.504 1.318 1.00 0.00 O ATOM 0 H TYR T 16 5.211 6.210 -5.612 1.00 0.00 H new ATOM 0 HA TYR T 16 3.577 6.752 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.973 6.551 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.264 8.031 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.618 6.757 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.398 10.091 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.525 8.043 1.006 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.311 11.375 -0.963 1.00 0.00 H new ATOM 0 HH TYR T 16 5.739 11.397 1.170 1.00 0.00 H new ATOM 275 N ALA T 17 3.943 9.523 -5.335 1.00 0.00 N ATOM 276 CA ALA T 17 3.384 10.848 -5.566 1.00 0.00 C ATOM 277 C ALA T 17 1.937 10.764 -6.047 1.00 0.00 C ATOM 278 O ALA T 17 1.077 11.510 -5.579 1.00 0.00 O ATOM 279 CB ALA T 17 4.235 11.609 -6.571 1.00 0.00 C ATOM 0 H ALA T 17 4.652 9.241 -6.012 1.00 0.00 H new ATOM 0 HA ALA T 17 3.389 11.387 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.807 12.598 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.249 11.712 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.260 11.063 -7.514 1.00 0.00 H new ATOM 285 N GLU T 18 1.671 9.849 -6.975 1.00 0.00 N ATOM 286 CA GLU T 18 0.329 9.668 -7.503 1.00 0.00 C ATOM 287 C GLU T 18 -0.575 9.050 -6.444 1.00 0.00 C ATOM 288 O GLU T 18 -1.693 9.511 -6.214 1.00 0.00 O ATOM 289 CB GLU T 18 0.372 8.778 -8.743 1.00 0.00 C ATOM 290 CG GLU T 18 1.153 9.384 -9.897 1.00 0.00 C ATOM 291 CD GLU T 18 1.207 8.474 -11.109 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.416 7.257 -10.927 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.039 8.979 -12.239 1.00 0.00 O ATOM 0 H GLU T 18 2.370 9.223 -7.375 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.075 10.642 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.817 7.819 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.648 8.576 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.697 10.333 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.168 9.604 -9.567 1.00 0.00 H new ATOM 300 N ALA T 19 -0.069 8.006 -5.798 1.00 0.00 N ATOM 301 CA ALA T 19 -0.806 7.315 -4.751 1.00 0.00 C ATOM 302 C ALA T 19 -1.359 8.303 -3.731 1.00 0.00 C ATOM 303 O ALA T 19 -2.511 8.197 -3.308 1.00 0.00 O ATOM 304 CB ALA T 19 0.098 6.300 -4.070 1.00 0.00 C ATOM 0 H ALA T 19 0.856 7.618 -5.984 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.649 6.795 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.458 5.785 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.448 5.574 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.954 6.812 -3.630 1.00 0.00 H new ATOM 310 N LYS T 20 -0.528 9.263 -3.338 1.00 0.00 N ATOM 311 CA LYS T 20 -0.929 10.274 -2.366 1.00 0.00 C ATOM 312 C LYS T 20 -2.030 11.162 -2.928 1.00 0.00 C ATOM 313 O LYS T 20 -3.087 11.312 -2.321 1.00 0.00 O ATOM 314 CB LYS T 20 0.274 11.128 -1.967 1.00 0.00 C ATOM 315 CG LYS T 20 0.073 11.897 -0.672 1.00 0.00 C ATOM 316 CD LYS T 20 1.259 12.798 -0.369 1.00 0.00 C ATOM 317 CE LYS T 20 1.455 12.977 1.128 1.00 0.00 C ATOM 318 NZ LYS T 20 2.882 12.821 1.525 1.00 0.00 N ATOM 0 H LYS T 20 0.428 9.362 -3.678 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.315 9.763 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.148 10.484 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.490 11.834 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.833 12.498 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS T 20 -0.072 11.196 0.150 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.162 12.372 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.107 13.771 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.102 13.965 1.425 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.848 12.247 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.973 12.950 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 3.213 11.870 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 3.459 13.534 1.034 1.00 0.00 H new ATOM 332 N ALA T 21 -1.774 11.750 -4.089 1.00 0.00 N ATOM 333 CA ALA T 21 -2.751 12.624 -4.726 1.00 0.00 C ATOM 334 C ALA T 21 -4.118 11.955 -4.798 1.00 0.00 C ATOM 335 O ALA T 21 -5.147 12.609 -4.645 1.00 0.00 O ATOM 336 CB ALA T 21 -2.284 13.021 -6.119 1.00 0.00 C ATOM 0 H ALA T 21 -0.902 11.639 -4.607 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.844 13.524 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.026 13.673 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.332 13.548 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.159 12.127 -6.729 1.00 0.00 H new ATOM 342 N VAL T 22 -4.119 10.647 -5.033 1.00 0.00 N ATOM 343 CA VAL T 22 -5.361 9.886 -5.130 1.00 0.00 C ATOM 344 C VAL T 22 -5.984 9.655 -3.758 1.00 0.00 C ATOM 345 O VAL T 22 -7.147 9.985 -3.530 1.00 0.00 O ATOM 346 CB VAL T 22 -5.128 8.523 -5.813 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.254 7.556 -5.478 1.00 0.00 C ATOM 348 CG2 VAL T 22 -4.994 8.696 -7.318 1.00 0.00 C ATOM 0 H VAL T 22 -3.273 10.091 -5.160 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.046 10.480 -5.735 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.196 8.103 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.071 6.600 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.297 7.407 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.202 7.967 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -4.830 7.724 -7.783 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -5.907 9.139 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.149 9.349 -7.535 1.00 0.00 H new ATOM 358 N CYS T 23 -5.205 9.082 -2.851 1.00 0.00 N ATOM 359 CA CYS T 23 -5.680 8.799 -1.503 1.00 0.00 C ATOM 360 C CYS T 23 -6.009 10.086 -0.757 1.00 0.00 C ATOM 361 O CYS T 23 -6.894 10.112 0.097 1.00 0.00 O ATOM 362 CB CYS T 23 -4.631 7.999 -0.732 1.00 0.00 C ATOM 363 SG CYS T 23 -4.515 6.254 -1.238 1.00 0.00 S ATOM 0 H CYS T 23 -4.239 8.803 -3.024 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.593 8.208 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.658 8.471 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.864 8.044 0.332 1.00 0.00 H new ATOM 368 N GLU T 24 -5.296 11.155 -1.092 1.00 0.00 N ATOM 369 CA GLU T 24 -5.518 12.451 -0.462 1.00 0.00 C ATOM 370 C GLU T 24 -6.510 13.266 -1.278 1.00 0.00 C ATOM 371 O GLU T 24 -7.018 14.293 -0.827 1.00 0.00 O ATOM 372 CB GLU T 24 -4.198 13.213 -0.327 1.00 0.00 C ATOM 373 CG GLU T 24 -4.282 14.428 0.584 1.00 0.00 C ATOM 374 CD GLU T 24 -2.922 14.892 1.066 1.00 0.00 C ATOM 375 OE1 GLU T 24 -2.109 14.032 1.468 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.669 16.115 1.042 1.00 0.00 O ATOM 0 H GLU T 24 -4.559 11.150 -1.797 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.929 12.287 0.534 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.435 12.535 0.056 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.871 13.534 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.772 15.243 0.052 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.906 14.189 1.445 1.00 0.00 H new ATOM 383 N PHE T 25 -6.779 12.787 -2.486 1.00 0.00 N ATOM 384 CA PHE T 25 -7.709 13.444 -3.392 1.00 0.00 C ATOM 385 C PHE T 25 -9.064 13.659 -2.725 1.00 0.00 C ATOM 386 O PHE T 25 -9.685 14.710 -2.882 1.00 0.00 O ATOM 387 CB PHE T 25 -7.877 12.598 -4.650 1.00 0.00 C ATOM 388 CG PHE T 25 -7.983 13.406 -5.910 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.855 13.984 -6.468 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.205 13.584 -6.536 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.942 14.727 -7.628 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.299 14.327 -7.698 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.167 14.899 -8.244 1.00 0.00 C ATOM 0 H PHE T 25 -6.360 11.937 -2.863 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.304 14.420 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.030 11.917 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.771 11.983 -4.547 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.896 13.852 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.093 13.138 -6.113 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -6.055 15.173 -8.053 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.257 14.460 -8.178 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.239 15.480 -9.151 1.00 0.00 H new ATOM 403 N GLU T 26 -9.517 12.652 -1.990 1.00 0.00 N ATOM 404 CA GLU T 26 -10.801 12.721 -1.304 1.00 0.00 C ATOM 405 C GLU T 26 -10.615 12.870 0.200 1.00 0.00 C ATOM 406 O GLU T 26 -11.081 12.041 0.983 1.00 0.00 O ATOM 407 CB GLU T 26 -11.625 11.473 -1.613 1.00 0.00 C ATOM 408 CG GLU T 26 -11.636 11.116 -3.087 1.00 0.00 C ATOM 409 CD GLU T 26 -12.480 9.893 -3.387 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.697 9.932 -3.111 1.00 0.00 O ATOM 411 OE2 GLU T 26 -11.924 8.899 -3.897 1.00 0.00 O ATOM 0 H GLU T 26 -9.013 11.776 -1.853 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.333 13.601 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.227 10.632 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.650 11.629 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.015 11.963 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.614 10.938 -3.421 1.00 0.00 H new ATOM 418 N GLY T 27 -9.935 13.938 0.593 1.00 0.00 N ATOM 419 CA GLY T 27 -9.696 14.198 2.000 1.00 0.00 C ATOM 420 C GLY T 27 -9.103 13.000 2.717 1.00 0.00 C ATOM 421 O GLY T 27 -9.179 12.903 3.942 1.00 0.00 O ATOM 0 H GLY T 27 -9.542 14.633 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -9.021 15.048 2.100 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.634 14.477 2.480 1.00 0.00 H new ATOM 425 N GLY T 28 -8.507 12.087 1.957 1.00 0.00 N ATOM 426 CA GLY T 28 -7.907 10.906 2.551 1.00 0.00 C ATOM 427 C GLY T 28 -6.426 11.106 2.809 1.00 0.00 C ATOM 428 O GLY T 28 -5.901 12.203 2.619 1.00 0.00 O ATOM 0 H GLY T 28 -8.429 12.143 0.942 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.412 10.672 3.488 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.050 10.052 1.889 1.00 0.00 H new ATOM 432 N HIS T 29 -5.747 10.047 3.244 1.00 0.00 N ATOM 433 CA HIS T 29 -4.320 10.124 3.524 1.00 0.00 C ATOM 434 C HIS T 29 -3.667 8.753 3.401 1.00 0.00 C ATOM 435 O HIS T 29 -4.206 7.752 3.876 1.00 0.00 O ATOM 436 CB HIS T 29 -4.076 10.692 4.926 1.00 0.00 C ATOM 437 CG HIS T 29 -5.333 11.037 5.662 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.038 12.203 5.444 1.00 0.00 N ATOM 439 CD2 HIS T 29 -6.013 10.363 6.620 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.095 12.230 6.235 1.00 0.00 C ATOM 441 NE2 HIS T 29 -7.104 11.125 6.958 1.00 0.00 N ATOM 0 H HIS T 29 -6.162 9.130 3.409 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.871 10.791 2.788 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.511 9.965 5.510 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.457 11.585 4.844 1.00 0.00 H new ATOM 0 HD1 HIS T 29 -5.783 12.930 4.776 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.747 9.404 7.040 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.828 13.022 6.283 1.00 0.00 H new ATOM 450 N LEU T 30 -2.504 8.714 2.759 1.00 0.00 N ATOM 451 CA LEU T 30 -1.774 7.474 2.570 1.00 0.00 C ATOM 452 C LEU T 30 -1.664 6.688 3.870 1.00 0.00 C ATOM 453 O LEU T 30 -1.387 7.253 4.928 1.00 0.00 O ATOM 454 CB LEU T 30 -0.378 7.774 2.035 1.00 0.00 C ATOM 455 CG LEU T 30 -0.015 7.050 0.745 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.229 7.663 0.123 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.189 5.566 1.015 1.00 0.00 C ATOM 0 H LEU T 30 -2.048 9.534 2.360 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.324 6.867 1.852 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.292 8.848 1.868 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.353 7.511 2.800 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.837 7.161 0.037 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.474 7.134 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.044 8.714 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.062 7.582 0.821 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.448 5.059 0.085 1.00 0.00 H new ATOM 0 HD22 LEU T 30 0.995 5.435 1.737 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.730 5.140 1.417 1.00 0.00 H new ATOM 469 N ALA T 31 -1.868 5.380 3.778 1.00 0.00 N ATOM 470 CA ALA T 31 -1.775 4.513 4.942 1.00 0.00 C ATOM 471 C ALA T 31 -0.313 4.250 5.285 1.00 0.00 C ATOM 472 O ALA T 31 0.579 4.543 4.489 1.00 0.00 O ATOM 473 CB ALA T 31 -2.509 3.203 4.690 1.00 0.00 C ATOM 0 H ALA T 31 -2.099 4.898 2.909 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.247 5.012 5.788 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.429 2.566 5.571 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.560 3.408 4.484 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.064 2.696 3.834 1.00 0.00 H new ATOM 479 N THR T 32 -0.067 3.702 6.468 1.00 0.00 N ATOM 480 CA THR T 32 1.296 3.410 6.897 1.00 0.00 C ATOM 481 C THR T 32 1.498 1.922 7.124 1.00 0.00 C ATOM 482 O THR T 32 0.602 1.115 6.877 1.00 0.00 O ATOM 483 CB THR T 32 1.657 4.155 8.194 1.00 0.00 C ATOM 484 OG1 THR T 32 0.863 3.659 9.280 1.00 0.00 O ATOM 485 CG2 THR T 32 1.441 5.650 8.037 1.00 0.00 C ATOM 0 H THR T 32 -0.788 3.452 7.145 1.00 0.00 H new ATOM 0 HA THR T 32 1.949 3.750 6.093 1.00 0.00 H new ATOM 0 HB THR T 32 2.711 3.980 8.408 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.366 3.740 10.117 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.703 6.155 8.967 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.070 6.026 7.230 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.395 5.844 7.801 1.00 0.00 H new ATOM 493 N TYR T 33 2.679 1.567 7.613 1.00 0.00 N ATOM 494 CA TYR T 33 2.999 0.175 7.893 1.00 0.00 C ATOM 495 C TYR T 33 2.187 -0.315 9.079 1.00 0.00 C ATOM 496 O TYR T 33 1.288 -1.144 8.935 1.00 0.00 O ATOM 497 CB TYR T 33 4.489 0.014 8.193 1.00 0.00 C ATOM 498 CG TYR T 33 4.869 -1.363 8.688 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.726 -2.479 7.873 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.367 -1.549 9.972 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.066 -3.738 8.322 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.710 -2.807 10.428 1.00 0.00 C ATOM 503 CZ TYR T 33 5.558 -3.899 9.599 1.00 0.00 C ATOM 504 OH TYR T 33 5.899 -5.153 10.049 1.00 0.00 O ATOM 0 H TYR T 33 3.430 2.224 7.824 1.00 0.00 H new ATOM 0 HA TYR T 33 2.752 -0.418 7.012 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.057 0.234 7.289 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.781 0.751 8.941 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.342 -2.359 6.871 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.488 -0.696 10.624 1.00 0.00 H new ATOM 0 HE1 TYR T 33 4.947 -4.595 7.675 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.095 -2.935 11.429 1.00 0.00 H new ATOM 0 HH TYR T 33 6.230 -5.091 10.969 1.00 0.00 H new ATOM 514 N LYS T 34 2.513 0.214 10.249 1.00 0.00 N ATOM 515 CA LYS T 34 1.819 -0.151 11.476 1.00 0.00 C ATOM 516 C LYS T 34 0.309 -0.149 11.259 1.00 0.00 C ATOM 517 O LYS T 34 -0.395 -1.044 11.725 1.00 0.00 O ATOM 518 CB LYS T 34 2.189 0.813 12.604 1.00 0.00 C ATOM 519 CG LYS T 34 3.677 0.878 12.904 1.00 0.00 C ATOM 520 CD LYS T 34 3.943 1.455 14.285 1.00 0.00 C ATOM 521 CE LYS T 34 5.255 2.221 14.325 1.00 0.00 C ATOM 522 NZ LYS T 34 5.044 3.670 14.599 1.00 0.00 N ATOM 0 H LYS T 34 3.257 0.900 10.375 1.00 0.00 H new ATOM 0 HA LYS T 34 2.128 -1.157 11.758 1.00 0.00 H new ATOM 0 HB2 LYS T 34 1.838 1.812 12.343 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.660 0.516 13.509 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.106 -0.122 12.837 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.174 1.489 12.151 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.125 2.118 14.567 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.968 0.649 15.019 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.900 1.796 15.094 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.773 2.103 13.373 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 5.963 4.157 14.618 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 4.449 4.082 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 4.572 3.784 15.519 1.00 0.00 H new ATOM 536 N GLN T 35 -0.183 0.860 10.543 1.00 0.00 N ATOM 537 CA GLN T 35 -1.605 0.969 10.262 1.00 0.00 C ATOM 538 C GLN T 35 -2.066 -0.188 9.385 1.00 0.00 C ATOM 539 O GLN T 35 -3.035 -0.875 9.707 1.00 0.00 O ATOM 540 CB GLN T 35 -1.904 2.302 9.580 1.00 0.00 C ATOM 541 CG GLN T 35 -1.642 3.508 10.468 1.00 0.00 C ATOM 542 CD GLN T 35 -1.868 4.822 9.749 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.954 4.867 8.521 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.964 5.904 10.513 1.00 0.00 N ATOM 0 H GLN T 35 0.384 1.611 10.149 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.151 0.925 11.205 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.296 2.385 8.679 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.947 2.313 9.263 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.293 3.460 11.341 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.616 3.470 10.833 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.887 5.821 11.527 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -2.115 6.818 10.086 1.00 0.00 H new ATOM 553 N LEU T 36 -1.357 -0.407 8.282 1.00 0.00 N ATOM 554 CA LEU T 36 -1.690 -1.493 7.372 1.00 0.00 C ATOM 555 C LEU T 36 -1.602 -2.826 8.102 1.00 0.00 C ATOM 556 O LEU T 36 -2.216 -3.813 7.698 1.00 0.00 O ATOM 557 CB LEU T 36 -0.752 -1.490 6.164 1.00 0.00 C ATOM 558 CG LEU T 36 -1.442 -1.596 4.802 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.831 -3.038 4.514 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.663 -0.692 4.750 1.00 0.00 C ATOM 0 H LEU T 36 -0.552 0.152 7.999 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.710 -1.349 7.015 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.163 -0.573 6.184 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.053 -2.320 6.265 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.741 -1.269 4.034 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.320 -3.096 3.542 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.937 -3.662 4.508 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.515 -3.392 5.286 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.140 -0.781 3.774 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.368 -0.988 5.527 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.357 0.342 4.912 1.00 0.00 H new ATOM 572 N GLU T 37 -0.840 -2.835 9.191 1.00 0.00 N ATOM 573 CA GLU T 37 -0.670 -4.032 10.000 1.00 0.00 C ATOM 574 C GLU T 37 -1.928 -4.304 10.810 1.00 0.00 C ATOM 575 O GLU T 37 -2.576 -5.338 10.650 1.00 0.00 O ATOM 576 CB GLU T 37 0.523 -3.871 10.941 1.00 0.00 C ATOM 577 CG GLU T 37 0.847 -5.127 11.729 1.00 0.00 C ATOM 578 CD GLU T 37 1.475 -4.828 13.076 1.00 0.00 C ATOM 579 OE1 GLU T 37 0.721 -4.618 14.049 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.721 -4.805 13.158 1.00 0.00 O ATOM 0 H GLU T 37 -0.329 -2.021 9.533 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.486 -4.875 9.334 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.398 -3.581 10.359 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.319 -3.057 11.637 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.066 -5.703 11.879 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.525 -5.751 11.147 1.00 0.00 H new ATOM 587 N ALA T 38 -2.264 -3.360 11.677 1.00 0.00 N ATOM 588 CA ALA T 38 -3.445 -3.480 12.519 1.00 0.00 C ATOM 589 C ALA T 38 -4.703 -3.618 11.671 1.00 0.00 C ATOM 590 O ALA T 38 -5.765 -3.987 12.171 1.00 0.00 O ATOM 591 CB ALA T 38 -3.556 -2.283 13.450 1.00 0.00 C ATOM 0 H ALA T 38 -1.734 -2.500 11.816 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.344 -4.381 13.124 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.444 -2.388 14.073 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.671 -2.233 14.085 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.632 -1.369 12.860 1.00 0.00 H new ATOM 597 N ALA T 39 -4.568 -3.332 10.382 1.00 0.00 N ATOM 598 CA ALA T 39 -5.683 -3.438 9.453 1.00 0.00 C ATOM 599 C ALA T 39 -5.651 -4.790 8.765 1.00 0.00 C ATOM 600 O ALA T 39 -6.681 -5.340 8.385 1.00 0.00 O ATOM 601 CB ALA T 39 -5.625 -2.320 8.425 1.00 0.00 C ATOM 0 H ALA T 39 -3.694 -3.024 9.956 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.616 -3.345 10.008 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.466 -2.414 7.738 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.676 -1.356 8.932 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.691 -2.387 7.867 1.00 0.00 H new ATOM 607 N ARG T 40 -4.447 -5.321 8.626 1.00 0.00 N ATOM 608 CA ARG T 40 -4.242 -6.614 8.005 1.00 0.00 C ATOM 609 C ARG T 40 -4.712 -7.719 8.936 1.00 0.00 C ATOM 610 O ARG T 40 -5.220 -8.750 8.495 1.00 0.00 O ATOM 611 CB ARG T 40 -2.762 -6.795 7.687 1.00 0.00 C ATOM 612 CG ARG T 40 -2.388 -8.218 7.307 1.00 0.00 C ATOM 613 CD ARG T 40 -0.999 -8.586 7.800 1.00 0.00 C ATOM 614 NE ARG T 40 -0.767 -10.026 7.773 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.784 -10.796 8.858 1.00 0.00 C ATOM 616 NH1 ARG T 40 -1.027 -10.263 10.047 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.562 -12.098 8.752 1.00 0.00 N ATOM 0 H ARG T 40 -3.589 -4.868 8.940 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.819 -6.665 7.081 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.491 -6.127 6.870 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.174 -6.493 8.554 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.118 -8.910 7.727 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.430 -8.328 6.223 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.252 -8.088 7.182 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.867 -8.218 8.817 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.581 -10.467 6.872 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -1.201 -9.262 10.131 1.00 0.00 H new ATOM 0 HH12 ARG T 40 -1.040 -10.854 10.878 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -0.378 -12.511 7.838 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -0.575 -12.687 9.585 1.00 0.00 H new ATOM 631 N LYS T 41 -4.532 -7.493 10.233 1.00 0.00 N ATOM 632 CA LYS T 41 -4.930 -8.466 11.236 1.00 0.00 C ATOM 633 C LYS T 41 -6.448 -8.574 11.331 1.00 0.00 C ATOM 634 O LYS T 41 -6.975 -9.533 11.897 1.00 0.00 O ATOM 635 CB LYS T 41 -4.345 -8.097 12.601 1.00 0.00 C ATOM 636 CG LYS T 41 -2.892 -7.656 12.537 1.00 0.00 C ATOM 637 CD LYS T 41 -2.208 -7.789 13.888 1.00 0.00 C ATOM 638 CE LYS T 41 -1.427 -9.089 13.993 1.00 0.00 C ATOM 639 NZ LYS T 41 -1.036 -9.392 15.398 1.00 0.00 N ATOM 0 H LYS T 41 -4.113 -6.644 10.611 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.538 -9.436 10.931 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.941 -7.296 13.039 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.427 -8.956 13.267 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.361 -8.257 11.799 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.840 -6.620 12.202 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -1.534 -6.946 14.040 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.955 -7.747 14.681 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -2.030 -9.907 13.600 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.533 -9.026 13.373 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -0.506 -10.286 15.426 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -0.439 -8.624 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -1.890 -9.478 15.985 1.00 0.00 H new ATOM 653 N ILE T 42 -7.150 -7.593 10.773 1.00 0.00 N ATOM 654 CA ILE T 42 -8.604 -7.591 10.798 1.00 0.00 C ATOM 655 C ILE T 42 -9.166 -8.307 9.575 1.00 0.00 C ATOM 656 O ILE T 42 -10.324 -8.723 9.563 1.00 0.00 O ATOM 657 CB ILE T 42 -9.159 -6.156 10.841 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.055 -5.513 9.460 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.405 -5.331 11.873 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.315 -4.795 9.028 1.00 0.00 C ATOM 0 H ILE T 42 -6.734 -6.791 10.299 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.913 -8.117 11.701 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.209 -6.191 11.130 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.226 -4.806 9.460 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.817 -6.284 8.727 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.807 -4.318 11.893 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.519 -5.787 12.857 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.348 -5.296 11.609 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.167 -4.364 8.038 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.144 -5.502 8.995 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.543 -4.001 9.739 1.00 0.00 H new ATOM 672 N GLY T 43 -8.333 -8.443 8.548 1.00 0.00 N ATOM 673 CA GLY T 43 -8.756 -9.107 7.331 1.00 0.00 C ATOM 674 C GLY T 43 -8.290 -8.372 6.088 1.00 0.00 C ATOM 675 O GLY T 43 -8.738 -8.669 4.981 1.00 0.00 O ATOM 0 H GLY T 43 -7.371 -8.104 8.538 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.364 -10.124 7.318 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.843 -9.184 7.320 1.00 0.00 H new ATOM 679 N PHE T 44 -7.390 -7.409 6.270 1.00 0.00 N ATOM 680 CA PHE T 44 -6.871 -6.634 5.148 1.00 0.00 C ATOM 681 C PHE T 44 -5.774 -7.402 4.415 1.00 0.00 C ATOM 682 O PHE T 44 -4.716 -7.682 4.978 1.00 0.00 O ATOM 683 CB PHE T 44 -6.331 -5.287 5.633 1.00 0.00 C ATOM 684 CG PHE T 44 -6.220 -4.250 4.551 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.564 -4.552 3.242 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.772 -2.970 4.842 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.464 -3.600 2.247 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.669 -2.014 3.849 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.016 -2.329 2.551 1.00 0.00 C ATOM 0 H PHE T 44 -7.007 -7.148 7.179 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.692 -6.457 4.453 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -6.982 -4.908 6.421 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.348 -5.440 6.078 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -6.914 -5.544 2.998 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.500 -2.717 5.856 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -6.736 -3.849 1.232 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.317 -1.021 4.089 1.00 0.00 H new ATOM 0 HZ PHE T 44 -5.937 -1.583 1.774 1.00 0.00 H new ATOM 699 N HIS T 45 -6.039 -7.741 3.156 1.00 0.00 N ATOM 700 CA HIS T 45 -5.080 -8.480 2.342 1.00 0.00 C ATOM 701 C HIS T 45 -4.980 -7.879 0.943 1.00 0.00 C ATOM 702 O HIS T 45 -5.990 -7.691 0.265 1.00 0.00 O ATOM 703 CB HIS T 45 -5.494 -9.952 2.252 1.00 0.00 C ATOM 704 CG HIS T 45 -4.568 -10.804 1.439 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.759 -10.497 0.395 1.00 0.00 N flip ATOM 706 CD2 HIS T 45 -4.402 -12.155 1.661 1.00 0.00 C flip ATOM 707 CE1 HIS T 45 -3.129 -11.654 0.013 1.00 0.00 C flip ATOM 708 NE2 HIS T 45 -3.532 -12.639 0.792 1.00 0.00 N flip ATOM 0 H HIS T 45 -6.911 -7.515 2.678 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.101 -8.411 2.816 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.556 -10.362 3.260 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.494 -10.010 1.822 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.905 -12.728 2.426 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.418 -11.744 -0.795 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -3.224 -13.610 0.734 1.00 0.00 H new ATOM 717 N VAL T 46 -3.756 -7.585 0.513 1.00 0.00 N ATOM 718 CA VAL T 46 -3.530 -7.013 -0.810 1.00 0.00 C ATOM 719 C VAL T 46 -2.232 -7.531 -1.422 1.00 0.00 C ATOM 720 O VAL T 46 -1.144 -7.080 -1.066 1.00 0.00 O ATOM 721 CB VAL T 46 -3.476 -5.471 -0.769 1.00 0.00 C ATOM 722 CG1 VAL T 46 -3.962 -4.890 -2.087 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.298 -4.925 0.388 1.00 0.00 C ATOM 0 H VAL T 46 -2.908 -7.733 1.060 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.375 -7.322 -1.425 1.00 0.00 H new ATOM 0 HB VAL T 46 -2.439 -5.172 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -3.918 -3.802 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -3.327 -5.246 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -4.990 -5.205 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.242 -3.836 0.392 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.337 -5.234 0.274 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.905 -5.312 1.328 1.00 0.00 H new ATOM 733 N CYS T 47 -2.355 -8.477 -2.349 1.00 0.00 N ATOM 734 CA CYS T 47 -1.190 -9.050 -3.015 1.00 0.00 C ATOM 735 C CYS T 47 -0.658 -8.101 -4.084 1.00 0.00 C ATOM 736 O CYS T 47 -0.669 -8.418 -5.273 1.00 0.00 O ATOM 737 CB CYS T 47 -1.546 -10.399 -3.643 1.00 0.00 C ATOM 738 SG CYS T 47 -0.148 -11.221 -4.474 1.00 0.00 S ATOM 0 H CYS T 47 -3.248 -8.862 -2.655 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.411 -9.202 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.933 -11.059 -2.867 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -2.349 -10.252 -4.365 1.00 0.00 H new ATOM 0 HG CYS T 47 0.403 -10.396 -5.314 1.00 0.00 H new ATOM 743 N ALA T 48 -0.193 -6.933 -3.649 1.00 0.00 N ATOM 744 CA ALA T 48 0.342 -5.933 -4.564 1.00 0.00 C ATOM 745 C ALA T 48 1.009 -4.797 -3.798 1.00 0.00 C ATOM 746 O ALA T 48 0.396 -4.183 -2.924 1.00 0.00 O ATOM 747 CB ALA T 48 -0.764 -5.391 -5.456 1.00 0.00 C ATOM 0 H ALA T 48 -0.177 -6.657 -2.667 1.00 0.00 H new ATOM 0 HA ALA T 48 1.097 -6.411 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.351 -4.645 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.198 -6.207 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.537 -4.932 -4.839 1.00 0.00 H new ATOM 753 N ALA T 49 2.266 -4.523 -4.129 1.00 0.00 N ATOM 754 CA ALA T 49 3.014 -3.459 -3.471 1.00 0.00 C ATOM 755 C ALA T 49 2.151 -2.217 -3.286 1.00 0.00 C ATOM 756 O ALA T 49 1.726 -1.595 -4.258 1.00 0.00 O ATOM 757 CB ALA T 49 4.265 -3.121 -4.269 1.00 0.00 C ATOM 0 H ALA T 49 2.788 -5.023 -4.849 1.00 0.00 H new ATOM 0 HA ALA T 49 3.311 -3.814 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.814 -2.325 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.898 -4.005 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.981 -2.790 -5.268 1.00 0.00 H new ATOM 763 N GLY T 50 1.894 -1.862 -2.032 1.00 0.00 N ATOM 764 CA GLY T 50 1.081 -0.695 -1.745 1.00 0.00 C ATOM 765 C GLY T 50 1.855 0.393 -1.029 1.00 0.00 C ATOM 766 O GLY T 50 2.369 0.179 0.068 1.00 0.00 O ATOM 0 H GLY T 50 2.234 -2.361 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.681 -0.297 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.229 -0.992 -1.134 1.00 0.00 H new ATOM 770 N TRP T 51 1.945 1.560 -1.656 1.00 0.00 N ATOM 771 CA TRP T 51 2.669 2.685 -1.075 1.00 0.00 C ATOM 772 C TRP T 51 2.181 2.994 0.334 1.00 0.00 C ATOM 773 O TRP T 51 1.009 2.799 0.658 1.00 0.00 O ATOM 774 CB TRP T 51 2.525 3.921 -1.960 1.00 0.00 C ATOM 775 CG TRP T 51 3.426 3.896 -3.151 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.069 3.643 -4.443 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.840 4.122 -3.159 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.176 3.697 -5.256 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.275 3.992 -4.490 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.777 4.424 -2.168 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.610 4.152 -4.856 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.102 4.583 -2.531 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.506 4.448 -3.865 1.00 0.00 C ATOM 0 H TRP T 51 1.526 1.752 -2.566 1.00 0.00 H new ATOM 0 HA TRP T 51 3.721 2.407 -1.014 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.491 4.002 -2.295 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.739 4.811 -1.368 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.064 3.431 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.180 3.543 -6.264 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.472 4.531 -1.137 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.926 4.046 -5.883 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.836 4.815 -1.774 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.548 4.580 -4.117 1.00 0.00 H new ATOM 794 N MET T 52 3.095 3.481 1.165 1.00 0.00 N ATOM 795 CA MET T 52 2.780 3.831 2.544 1.00 0.00 C ATOM 796 C MET T 52 3.916 4.639 3.158 1.00 0.00 C ATOM 797 O MET T 52 4.959 4.832 2.534 1.00 0.00 O ATOM 798 CB MET T 52 2.524 2.571 3.377 1.00 0.00 C ATOM 799 CG MET T 52 3.052 1.294 2.742 1.00 0.00 C ATOM 800 SD MET T 52 3.675 0.118 3.958 1.00 0.00 S ATOM 801 CE MET T 52 2.318 -1.048 4.029 1.00 0.00 C ATOM 0 H MET T 52 4.068 3.643 0.904 1.00 0.00 H new ATOM 0 HA MET T 52 1.874 4.437 2.543 1.00 0.00 H new ATOM 0 HB2 MET T 52 2.985 2.695 4.357 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.451 2.467 3.540 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.256 0.825 2.164 1.00 0.00 H new ATOM 0 HG3 MET T 52 3.850 1.544 2.042 1.00 0.00 H new ATOM 0 HE1 MET T 52 2.191 -1.396 5.054 1.00 0.00 H new ATOM 0 HE2 MET T 52 1.402 -0.561 3.695 1.00 0.00 H new ATOM 0 HE3 MET T 52 2.534 -1.898 3.381 1.00 0.00 H new ATOM 811 N ALA T 53 3.712 5.104 4.384 1.00 0.00 N ATOM 812 CA ALA T 53 4.726 5.887 5.079 1.00 0.00 C ATOM 813 C ALA T 53 5.217 7.047 4.221 1.00 0.00 C ATOM 814 O ALA T 53 4.599 7.398 3.215 1.00 0.00 O ATOM 815 CB ALA T 53 5.887 4.993 5.480 1.00 0.00 C ATOM 0 H ALA T 53 2.855 4.953 4.917 1.00 0.00 H new ATOM 0 HA ALA T 53 4.274 6.309 5.977 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.640 5.586 5.999 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.527 4.204 6.141 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.327 4.547 4.588 1.00 0.00 H new ATOM 821 N LYS T 54 6.329 7.643 4.631 1.00 0.00 N ATOM 822 CA LYS T 54 6.912 8.771 3.911 1.00 0.00 C ATOM 823 C LYS T 54 7.423 8.351 2.536 1.00 0.00 C ATOM 824 O LYS T 54 7.914 9.181 1.770 1.00 0.00 O ATOM 825 CB LYS T 54 8.053 9.384 4.725 1.00 0.00 C ATOM 826 CG LYS T 54 7.832 10.843 5.088 1.00 0.00 C ATOM 827 CD LYS T 54 8.727 11.768 4.279 1.00 0.00 C ATOM 828 CE LYS T 54 7.911 12.673 3.369 1.00 0.00 C ATOM 829 NZ LYS T 54 8.432 12.680 1.975 1.00 0.00 N ATOM 0 H LYS T 54 6.849 7.363 5.463 1.00 0.00 H new ATOM 0 HA LYS T 54 6.129 9.515 3.768 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.184 8.807 5.641 1.00 0.00 H new ATOM 0 HB3 LYS T 54 8.980 9.297 4.158 1.00 0.00 H new ATOM 0 HG2 LYS T 54 6.788 11.106 4.917 1.00 0.00 H new ATOM 0 HG3 LYS T 54 8.027 10.987 6.151 1.00 0.00 H new ATOM 0 HD2 LYS T 54 9.330 12.376 4.954 1.00 0.00 H new ATOM 0 HD3 LYS T 54 9.419 11.176 3.680 1.00 0.00 H new ATOM 0 HE2 LYS T 54 6.872 12.342 3.366 1.00 0.00 H new ATOM 0 HE3 LYS T 54 7.921 13.689 3.765 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 7.847 13.309 1.389 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 9.415 13.020 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 8.399 11.716 1.587 1.00 0.00 H new ATOM 843 N GLY T 55 7.309 7.064 2.227 1.00 0.00 N ATOM 844 CA GLY T 55 7.768 6.570 0.942 1.00 0.00 C ATOM 845 C GLY T 55 8.075 5.086 0.985 1.00 0.00 C ATOM 846 O GLY T 55 8.721 4.553 0.082 1.00 0.00 O ATOM 0 H GLY T 55 6.908 6.356 2.842 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.006 6.762 0.186 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.661 7.117 0.640 1.00 0.00 H new ATOM 850 N ARG T 56 7.611 4.418 2.034 1.00 0.00 N ATOM 851 CA ARG T 56 7.840 2.986 2.190 1.00 0.00 C ATOM 852 C ARG T 56 6.738 2.182 1.508 1.00 0.00 C ATOM 853 O ARG T 56 5.554 2.385 1.776 1.00 0.00 O ATOM 854 CB ARG T 56 7.913 2.618 3.673 1.00 0.00 C ATOM 855 CG ARG T 56 9.330 2.397 4.175 1.00 0.00 C ATOM 856 CD ARG T 56 9.370 2.279 5.691 1.00 0.00 C ATOM 857 NE ARG T 56 10.344 1.287 6.138 1.00 0.00 N ATOM 858 CZ ARG T 56 10.745 1.167 7.400 1.00 0.00 C ATOM 859 NH1 ARG T 56 10.261 1.976 8.332 1.00 0.00 N ATOM 860 NH2 ARG T 56 11.633 0.239 7.729 1.00 0.00 N ATOM 0 H ARG T 56 7.074 4.844 2.789 1.00 0.00 H new ATOM 0 HA ARG T 56 8.790 2.741 1.716 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.448 3.411 4.259 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.331 1.713 3.843 1.00 0.00 H new ATOM 0 HG2 ARG T 56 9.739 1.491 3.727 1.00 0.00 H new ATOM 0 HG3 ARG T 56 9.964 3.225 3.856 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.616 3.249 6.124 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.381 2.007 6.060 1.00 0.00 H new ATOM 0 HE ARG T 56 10.738 0.652 5.444 1.00 0.00 H new ATOM 0 HH11 ARG T 56 9.579 2.692 8.082 1.00 0.00 H new ATOM 0 HH12 ARG T 56 10.570 1.882 9.299 1.00 0.00 H new ATOM 0 HH21 ARG T 56 12.009 -0.383 7.014 1.00 0.00 H new ATOM 0 HH22 ARG T 56 11.940 0.148 8.697 1.00 0.00 H new ATOM 874 N VAL T 57 7.134 1.270 0.626 1.00 0.00 N ATOM 875 CA VAL T 57 6.178 0.437 -0.093 1.00 0.00 C ATOM 876 C VAL T 57 6.445 -1.044 0.161 1.00 0.00 C ATOM 877 O VAL T 57 7.509 -1.561 -0.176 1.00 0.00 O ATOM 878 CB VAL T 57 6.219 0.709 -1.612 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.590 1.225 -2.025 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.854 -0.542 -2.395 1.00 0.00 C ATOM 0 H VAL T 57 8.110 1.089 0.392 1.00 0.00 H new ATOM 0 HA VAL T 57 5.187 0.694 0.282 1.00 0.00 H new ATOM 0 HB VAL T 57 5.481 1.477 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.600 1.411 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.805 2.152 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.348 0.482 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.890 -0.326 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.562 -1.337 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.848 -0.861 -2.123 1.00 0.00 H new ATOM 890 N GLY T 58 5.469 -1.720 0.762 1.00 0.00 N ATOM 891 CA GLY T 58 5.615 -3.134 1.054 1.00 0.00 C ATOM 892 C GLY T 58 4.489 -3.961 0.466 1.00 0.00 C ATOM 893 O GLY T 58 3.694 -3.460 -0.328 1.00 0.00 O ATOM 0 H GLY T 58 4.580 -1.313 1.052 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.567 -3.488 0.659 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.644 -3.279 2.134 1.00 0.00 H new ATOM 897 N TYR T 59 4.419 -5.232 0.855 1.00 0.00 N ATOM 898 CA TYR T 59 3.375 -6.122 0.353 1.00 0.00 C ATOM 899 C TYR T 59 2.870 -7.055 1.450 1.00 0.00 C ATOM 900 O TYR T 59 3.449 -8.113 1.694 1.00 0.00 O ATOM 901 CB TYR T 59 3.887 -6.949 -0.831 1.00 0.00 C ATOM 902 CG TYR T 59 5.267 -6.546 -1.300 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.455 -5.403 -2.068 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.380 -7.310 -0.980 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.713 -5.035 -2.503 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.642 -6.949 -1.411 1.00 0.00 C ATOM 907 CZ TYR T 59 7.804 -5.811 -2.172 1.00 0.00 C ATOM 908 OH TYR T 59 9.059 -5.449 -2.603 1.00 0.00 O ATOM 0 H TYR T 59 5.068 -5.666 1.511 1.00 0.00 H new ATOM 0 HA TYR T 59 2.547 -5.497 0.019 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.901 -8.002 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.187 -6.851 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.603 -4.792 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.258 -8.202 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.842 -4.144 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.498 -7.555 -1.153 1.00 0.00 H new ATOM 0 HH TYR T 59 9.725 -5.720 -1.937 1.00 0.00 H new ATOM 918 N PRO T 60 1.773 -6.672 2.122 1.00 0.00 N ATOM 919 CA PRO T 60 1.181 -7.474 3.191 1.00 0.00 C ATOM 920 C PRO T 60 0.292 -8.589 2.648 1.00 0.00 C ATOM 921 O PRO T 60 -0.560 -8.354 1.791 1.00 0.00 O ATOM 922 CB PRO T 60 0.349 -6.453 3.957 1.00 0.00 C ATOM 923 CG PRO T 60 -0.054 -5.437 2.943 1.00 0.00 C ATOM 924 CD PRO T 60 1.022 -5.423 1.886 1.00 0.00 C ATOM 0 HA PRO T 60 1.932 -7.980 3.797 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.523 -6.920 4.415 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.927 -5.998 4.762 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -1.021 -5.689 2.507 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.158 -4.454 3.402 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.596 -5.397 0.883 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.664 -4.547 1.982 1.00 0.00 H new ATOM 932 N ILE T 61 0.497 -9.802 3.149 1.00 0.00 N ATOM 933 CA ILE T 61 -0.286 -10.950 2.708 1.00 0.00 C ATOM 934 C ILE T 61 -0.750 -11.789 3.894 1.00 0.00 C ATOM 935 O ILE T 61 0.046 -12.490 4.521 1.00 0.00 O ATOM 936 CB ILE T 61 0.523 -11.844 1.748 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.109 -11.006 0.609 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.351 -12.959 1.196 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.077 -10.540 -0.393 1.00 0.00 C ATOM 0 H ILE T 61 1.197 -10.015 3.859 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.156 -10.556 2.183 1.00 0.00 H new ATOM 0 HB ILE T 61 1.345 -12.296 2.303 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.612 -10.136 1.031 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.867 -11.593 0.091 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.236 -13.581 0.520 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.724 -13.569 2.018 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.192 -12.527 0.654 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.565 -9.952 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.410 -11.405 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.669 -9.926 0.112 1.00 0.00 H new ATOM 951 N VAL T 62 -2.042 -11.713 4.199 1.00 0.00 N ATOM 952 CA VAL T 62 -2.610 -12.467 5.310 1.00 0.00 C ATOM 953 C VAL T 62 -2.528 -13.968 5.054 1.00 0.00 C ATOM 954 O VAL T 62 -2.139 -14.737 5.933 1.00 0.00 O ATOM 955 CB VAL T 62 -4.080 -12.081 5.558 1.00 0.00 C ATOM 956 CG1 VAL T 62 -4.560 -12.633 6.891 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.252 -10.571 5.503 1.00 0.00 C ATOM 0 H VAL T 62 -2.714 -11.137 3.692 1.00 0.00 H new ATOM 0 HA VAL T 62 -2.022 -12.218 6.194 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.690 -12.521 4.769 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -5.601 -12.350 7.049 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -4.476 -13.720 6.886 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.947 -12.226 7.695 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.297 -10.317 5.680 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.631 -10.106 6.268 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -3.952 -10.206 4.521 1.00 0.00 H new ATOM 1104 N THR T 73 5.232 -13.927 5.102 1.00 0.00 N ATOM 1105 CA THR T 73 4.264 -13.620 6.145 1.00 0.00 C ATOM 1106 C THR T 73 4.457 -12.205 6.678 1.00 0.00 C ATOM 1107 O THR T 73 5.566 -11.814 7.043 1.00 0.00 O ATOM 1108 CB THR T 73 4.371 -14.614 7.312 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.660 -15.239 7.309 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.287 -15.677 7.219 1.00 0.00 C ATOM 0 HA THR T 73 3.275 -13.701 5.694 1.00 0.00 H new ATOM 0 HB THR T 73 4.238 -14.062 8.242 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.058 -15.164 6.417 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.383 -16.369 8.056 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.307 -15.201 7.253 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.393 -16.224 6.282 1.00 0.00 H new ATOM 1118 N GLY T 74 3.370 -11.441 6.719 1.00 0.00 N ATOM 1119 CA GLY T 74 3.441 -10.077 7.208 1.00 0.00 C ATOM 1120 C GLY T 74 3.654 -9.084 6.084 1.00 0.00 C ATOM 1121 O GLY T 74 3.650 -9.455 4.911 1.00 0.00 O ATOM 0 H GLY T 74 2.442 -11.742 6.422 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.520 -9.833 7.738 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.255 -9.991 7.927 1.00 0.00 H new ATOM 1125 N ILE T 75 3.840 -7.817 6.440 1.00 0.00 N ATOM 1126 CA ILE T 75 4.056 -6.772 5.449 1.00 0.00 C ATOM 1127 C ILE T 75 5.497 -6.768 4.960 1.00 0.00 C ATOM 1128 O ILE T 75 6.374 -6.172 5.584 1.00 0.00 O ATOM 1129 CB ILE T 75 3.724 -5.381 6.014 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.463 -5.441 6.881 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.569 -4.377 4.880 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.388 -4.452 6.483 1.00 0.00 C ATOM 0 H ILE T 75 3.845 -7.491 7.406 1.00 0.00 H new ATOM 0 HA ILE T 75 3.388 -6.990 4.616 1.00 0.00 H new ATOM 0 HB ILE T 75 4.547 -5.051 6.648 1.00 0.00 H new ATOM 0 HG12 ILE T 75 2.050 -6.449 6.832 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.741 -5.260 7.919 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.334 -3.396 5.292 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.499 -4.320 4.315 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.762 -4.696 4.220 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.530 -4.560 7.147 1.00 0.00 H new ATOM 0 HD12 ILE T 75 1.780 -3.438 6.560 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.079 -4.645 5.456 1.00 0.00 H new ATOM 1144 N ILE T 76 5.735 -7.433 3.837 1.00 0.00 N ATOM 1145 CA ILE T 76 7.070 -7.500 3.262 1.00 0.00 C ATOM 1146 C ILE T 76 7.508 -6.133 2.744 1.00 0.00 C ATOM 1147 O ILE T 76 7.378 -5.837 1.557 1.00 0.00 O ATOM 1148 CB ILE T 76 7.139 -8.524 2.114 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.460 -9.833 2.524 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.585 -8.775 1.713 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.883 -10.336 3.887 1.00 0.00 C ATOM 0 H ILE T 76 5.021 -7.933 3.307 1.00 0.00 H new ATOM 0 HA ILE T 76 7.745 -7.819 4.057 1.00 0.00 H new ATOM 0 HB ILE T 76 6.609 -8.116 1.253 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.380 -9.689 2.519 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.683 -10.597 1.779 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.617 -9.501 0.901 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.038 -7.841 1.382 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.138 -9.164 2.568 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.361 -11.267 4.109 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.959 -10.513 3.892 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.635 -9.591 4.643 1.00 0.00 H new ATOM 1163 N ASP T 77 8.022 -5.304 3.648 1.00 0.00 N ATOM 1164 CA ASP T 77 8.477 -3.965 3.287 1.00 0.00 C ATOM 1165 C ASP T 77 9.997 -3.866 3.373 1.00 0.00 C ATOM 1166 O ASP T 77 10.586 -4.114 4.425 1.00 0.00 O ATOM 1167 CB ASP T 77 7.833 -2.922 4.204 1.00 0.00 C ATOM 1168 CG ASP T 77 7.519 -1.627 3.482 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.447 -1.037 2.891 1.00 0.00 O ATOM 1170 OD2 ASP T 77 6.345 -1.203 3.508 1.00 0.00 O ATOM 0 H ASP T 77 8.134 -5.536 4.635 1.00 0.00 H new ATOM 0 HA ASP T 77 8.176 -3.770 2.258 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.915 -3.331 4.625 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.502 -2.715 5.039 1.00 0.00 H new ATOM 1175 N TYR T 78 10.623 -3.508 2.258 1.00 0.00 N ATOM 1176 CA TYR T 78 12.071 -3.381 2.199 1.00 0.00 C ATOM 1177 C TYR T 78 12.516 -1.982 2.612 1.00 0.00 C ATOM 1178 O TYR T 78 13.711 -1.710 2.730 1.00 0.00 O ATOM 1179 CB TYR T 78 12.556 -3.689 0.784 1.00 0.00 C ATOM 1180 CG TYR T 78 12.226 -5.089 0.320 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.915 -5.547 0.312 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.225 -5.954 -0.108 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.607 -6.827 -0.107 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.926 -7.236 -0.530 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.616 -7.667 -0.528 1.00 0.00 C ATOM 1186 OH TYR T 78 11.315 -8.942 -0.948 1.00 0.00 O ATOM 0 H TYR T 78 10.147 -3.300 1.380 1.00 0.00 H new ATOM 0 HA TYR T 78 12.509 -4.094 2.897 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.112 -2.973 0.093 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.636 -3.546 0.740 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.122 -4.891 0.639 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.252 -5.620 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.582 -7.168 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.714 -7.897 -0.860 1.00 0.00 H new ATOM 0 HH TYR T 78 12.139 -9.402 -1.212 1.00 0.00 H new ATOM 1196 N GLY T 79 11.548 -1.098 2.829 1.00 0.00 N ATOM 1197 CA GLY T 79 11.862 0.262 3.226 1.00 0.00 C ATOM 1198 C GLY T 79 11.998 1.165 2.016 1.00 0.00 C ATOM 1199 O GLY T 79 12.046 0.691 0.881 1.00 0.00 O ATOM 0 H GLY T 79 10.552 -1.299 2.737 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.079 0.643 3.882 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.790 0.272 3.798 1.00 0.00 H new ATOM 1203 N ILE T 80 12.062 2.471 2.259 1.00 0.00 N ATOM 1204 CA ILE T 80 12.194 3.442 1.180 1.00 0.00 C ATOM 1205 C ILE T 80 13.462 3.193 0.371 1.00 0.00 C ATOM 1206 O ILE T 80 14.566 3.192 0.915 1.00 0.00 O ATOM 1207 CB ILE T 80 12.219 4.884 1.722 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.068 5.104 2.704 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.143 5.882 0.576 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.393 6.079 3.814 1.00 0.00 C ATOM 0 H ILE T 80 12.025 2.880 3.193 1.00 0.00 H new ATOM 0 HA ILE T 80 11.324 3.320 0.535 1.00 0.00 H new ATOM 0 HB ILE T 80 13.158 5.040 2.253 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.199 5.468 2.156 1.00 0.00 H new ATOM 0 HG13 ILE T 80 10.789 4.146 3.144 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.162 6.896 0.975 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.995 5.738 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.218 5.728 0.020 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.529 6.184 4.471 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.242 5.707 4.388 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.642 7.049 3.385 1.00 0.00 H new ATOM 1222 N ARG T 81 13.296 2.981 -0.931 1.00 0.00 N ATOM 1223 CA ARG T 81 14.429 2.729 -1.814 1.00 0.00 C ATOM 1224 C ARG T 81 14.781 3.976 -2.619 1.00 0.00 C ATOM 1225 O ARG T 81 15.531 3.906 -3.591 1.00 0.00 O ATOM 1226 CB ARG T 81 14.116 1.569 -2.760 1.00 0.00 C ATOM 1227 CG ARG T 81 14.361 0.201 -2.147 1.00 0.00 C ATOM 1228 CD ARG T 81 15.841 -0.146 -2.129 1.00 0.00 C ATOM 1229 NE ARG T 81 16.380 -0.303 -3.477 1.00 0.00 N ATOM 1230 CZ ARG T 81 17.206 -1.283 -3.830 1.00 0.00 C ATOM 1231 NH1 ARG T 81 17.584 -2.188 -2.938 1.00 0.00 N ATOM 1232 NH2 ARG T 81 17.656 -1.357 -5.075 1.00 0.00 N ATOM 0 H ARG T 81 12.389 2.979 -1.397 1.00 0.00 H new ATOM 0 HA ARG T 81 15.287 2.464 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.074 1.637 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.725 1.670 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.970 0.182 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG T 81 13.816 -0.555 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG T 81 16.391 0.637 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG T 81 15.991 -1.069 -1.568 1.00 0.00 H new ATOM 0 HE ARG T 81 16.108 0.377 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG T 81 17.241 -2.133 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG T 81 18.218 -2.939 -3.211 1.00 0.00 H new ATOM 0 HH21 ARG T 81 17.368 -0.661 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG T 81 18.290 -2.109 -5.344 1.00 0.00 H new ATOM 1246 N LEU T 82 14.234 5.115 -2.205 1.00 0.00 N ATOM 1247 CA LEU T 82 14.492 6.377 -2.889 1.00 0.00 C ATOM 1248 C LEU T 82 14.164 6.266 -4.375 1.00 0.00 C ATOM 1249 O LEU T 82 14.964 6.649 -5.228 1.00 0.00 O ATOM 1250 CB LEU T 82 15.954 6.791 -2.707 1.00 0.00 C ATOM 1251 CG LEU T 82 16.199 8.289 -2.503 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.871 9.061 -3.771 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.377 8.810 -1.334 1.00 0.00 C ATOM 0 H LEU T 82 13.611 5.190 -1.401 1.00 0.00 H new ATOM 0 HA LEU T 82 13.849 7.139 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.360 6.255 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.516 6.465 -3.582 1.00 0.00 H new ATOM 0 HG LEU T 82 17.254 8.436 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.051 10.123 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.503 8.707 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.824 8.906 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.564 9.876 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.318 8.649 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU T 82 15.660 8.279 -0.425 1.00 0.00 H new ATOM 1265 N ASN T 83 12.982 5.739 -4.676 1.00 0.00 N ATOM 1266 CA ASN T 83 12.549 5.578 -6.059 1.00 0.00 C ATOM 1267 C ASN T 83 11.031 5.693 -6.172 1.00 0.00 C ATOM 1268 O ASN T 83 10.363 4.773 -6.642 1.00 0.00 O ATOM 1269 CB ASN T 83 13.012 4.226 -6.605 1.00 0.00 C ATOM 1270 CG ASN T 83 13.376 4.294 -8.076 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.491 3.948 -8.467 1.00 0.00 O ATOM 1272 ND2 ASN T 83 12.436 4.744 -8.898 1.00 0.00 N ATOM 0 H ASN T 83 12.308 5.417 -3.982 1.00 0.00 H new ATOM 0 HA ASN T 83 13.000 6.375 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.875 3.883 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN T 83 12.222 3.489 -6.462 1.00 0.00 H new ATOM 0 HD21 ASN T 83 12.624 4.814 -9.898 1.00 0.00 H new ATOM 0 HD22 ASN T 83 11.526 5.020 -8.530 1.00 0.00 H new ATOM 1279 N ARG T 84 10.495 6.830 -5.739 1.00 0.00 N ATOM 1280 CA ARG T 84 9.061 7.067 -5.792 1.00 0.00 C ATOM 1281 C ARG T 84 8.551 7.008 -7.228 1.00 0.00 C ATOM 1282 O ARG T 84 7.344 7.003 -7.469 1.00 0.00 O ATOM 1283 CB ARG T 84 8.733 8.427 -5.176 1.00 0.00 C ATOM 1284 CG ARG T 84 9.387 8.656 -3.823 1.00 0.00 C ATOM 1285 CD ARG T 84 9.952 10.062 -3.704 1.00 0.00 C ATOM 1286 NE ARG T 84 11.340 10.135 -4.150 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.698 10.369 -5.408 1.00 0.00 C ATOM 1288 NH1 ARG T 84 10.773 10.549 -6.341 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.982 10.420 -5.736 1.00 0.00 N ATOM 0 H ARG T 84 11.035 7.601 -5.347 1.00 0.00 H new ATOM 0 HA ARG T 84 8.564 6.284 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.050 9.213 -5.861 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.652 8.516 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.656 8.489 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.186 7.929 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.345 10.748 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.887 10.392 -2.667 1.00 0.00 H new ATOM 0 HE ARG T 84 12.076 9.999 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG T 84 9.784 10.508 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG T 84 11.050 10.729 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG T 84 13.697 10.279 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.255 10.600 -6.702 1.00 0.00 H new ATOM 1303 N SER T 85 9.478 6.960 -8.179 1.00 0.00 N ATOM 1304 CA SER T 85 9.124 6.898 -9.591 1.00 0.00 C ATOM 1305 C SER T 85 8.737 5.477 -9.992 1.00 0.00 C ATOM 1306 O SER T 85 8.628 5.165 -11.177 1.00 0.00 O ATOM 1307 CB SER T 85 10.291 7.383 -10.455 1.00 0.00 C ATOM 1308 OG SER T 85 10.488 8.778 -10.308 1.00 0.00 O ATOM 0 H SER T 85 10.481 6.963 -7.996 1.00 0.00 H new ATOM 0 HA SER T 85 8.266 7.550 -9.753 1.00 0.00 H new ATOM 0 HB2 SER T 85 11.201 6.852 -10.174 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.095 7.148 -11.501 1.00 0.00 H new ATOM 0 HG SER T 85 11.240 9.063 -10.868 1.00 0.00 H new ATOM 1314 N GLU T 86 8.531 4.623 -8.995 1.00 0.00 N ATOM 1315 CA GLU T 86 8.156 3.236 -9.242 1.00 0.00 C ATOM 1316 C GLU T 86 6.670 3.129 -9.563 1.00 0.00 C ATOM 1317 O GLU T 86 5.963 4.135 -9.613 1.00 0.00 O ATOM 1318 CB GLU T 86 8.493 2.375 -8.026 1.00 0.00 C ATOM 1319 CG GLU T 86 9.945 1.928 -7.981 1.00 0.00 C ATOM 1320 CD GLU T 86 10.121 0.476 -8.379 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.610 0.088 -9.451 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.769 -0.273 -7.619 1.00 0.00 O ATOM 0 H GLU T 86 8.617 4.867 -8.008 1.00 0.00 H new ATOM 0 HA GLU T 86 8.722 2.875 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.266 2.936 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.850 1.495 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.536 2.557 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.335 2.075 -6.974 1.00 0.00 H new ATOM 1329 N ARG T 87 6.198 1.905 -9.782 1.00 0.00 N ATOM 1330 CA ARG T 87 4.795 1.679 -10.098 1.00 0.00 C ATOM 1331 C ARG T 87 4.228 0.512 -9.298 1.00 0.00 C ATOM 1332 O ARG T 87 4.654 -0.631 -9.457 1.00 0.00 O ATOM 1333 CB ARG T 87 4.618 1.417 -11.593 1.00 0.00 C ATOM 1334 CG ARG T 87 5.557 2.222 -12.477 1.00 0.00 C ATOM 1335 CD ARG T 87 5.051 2.303 -13.908 1.00 0.00 C ATOM 1336 NE ARG T 87 4.473 3.610 -14.208 1.00 0.00 N ATOM 1337 CZ ARG T 87 3.535 3.806 -15.128 1.00 0.00 C ATOM 1338 NH1 ARG T 87 3.074 2.784 -15.837 1.00 0.00 N ATOM 1339 NH2 ARG T 87 3.058 5.025 -15.342 1.00 0.00 N ATOM 0 H ARG T 87 6.766 1.058 -9.746 1.00 0.00 H new ATOM 0 HA ARG T 87 4.246 2.580 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG T 87 4.774 0.356 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.589 1.644 -11.872 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.665 3.228 -12.072 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.547 1.766 -12.466 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.873 2.103 -14.596 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.302 1.528 -14.073 1.00 0.00 H new ATOM 0 HE ARG T 87 4.808 4.417 -13.682 1.00 0.00 H new ATOM 0 HH11 ARG T 87 3.440 1.846 -15.676 1.00 0.00 H new ATOM 0 HH12 ARG T 87 2.354 2.937 -16.543 1.00 0.00 H new ATOM 0 HH21 ARG T 87 3.411 5.813 -14.800 1.00 0.00 H new ATOM 0 HH22 ARG T 87 2.338 5.174 -16.049 1.00 0.00 H new ATOM 1353 N TRP T 88 3.257 0.815 -8.446 1.00 0.00 N ATOM 1354 CA TRP T 88 2.609 -0.194 -7.616 1.00 0.00 C ATOM 1355 C TRP T 88 1.165 0.204 -7.328 1.00 0.00 C ATOM 1356 O TRP T 88 0.434 0.624 -8.226 1.00 0.00 O ATOM 1357 CB TRP T 88 3.364 -0.378 -6.296 1.00 0.00 C ATOM 1358 CG TRP T 88 4.855 -0.392 -6.443 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.718 0.615 -6.121 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.658 -1.467 -6.945 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.009 0.234 -6.394 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.998 -1.040 -6.901 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.374 -2.747 -7.427 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.052 -1.849 -7.322 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.420 -3.549 -7.844 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.744 -3.098 -7.789 1.00 0.00 C ATOM 0 H TRP T 88 2.898 1.760 -8.311 1.00 0.00 H new ATOM 0 HA TRP T 88 2.620 -1.138 -8.162 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.084 0.425 -5.614 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.046 -1.313 -5.835 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.428 1.571 -5.711 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.840 0.806 -6.244 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.356 -3.104 -7.473 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.074 -1.503 -7.281 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.212 -4.540 -8.219 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.539 -3.749 -8.122 1.00 0.00 H new ATOM 1377 N ASP T 89 0.764 0.080 -6.068 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.586 0.435 -5.653 1.00 0.00 C ATOM 1379 C ASP T 89 -0.550 1.602 -4.675 1.00 0.00 C ATOM 1380 O ASP T 89 0.476 2.263 -4.520 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.283 -0.765 -5.008 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.076 -2.041 -5.797 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.089 -2.361 -6.118 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.079 -2.723 -6.095 1.00 0.00 O ATOM 0 H ASP T 89 1.358 -0.265 -5.314 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.149 0.732 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -0.904 -0.901 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.350 -0.561 -4.925 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.673 1.851 -4.014 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.760 2.940 -3.053 1.00 0.00 C ATOM 1391 C ALA T 90 -2.724 2.605 -1.919 1.00 0.00 C ATOM 1392 O ALA T 90 -3.912 2.377 -2.150 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.194 4.219 -3.751 1.00 0.00 C ATOM 0 H ALA T 90 -2.533 1.315 -4.126 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.771 3.086 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.256 5.028 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.467 4.478 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.171 4.069 -4.211 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.209 2.583 -0.694 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.027 2.284 0.473 1.00 0.00 C ATOM 1401 C TYR T 91 -3.669 3.556 1.015 1.00 0.00 C ATOM 1402 O TYR T 91 -3.007 4.367 1.661 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.179 1.626 1.563 1.00 0.00 C ATOM 1404 CG TYR T 91 -1.980 0.138 1.375 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.041 -0.750 1.507 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.728 -0.377 1.067 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.859 -2.109 1.337 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.539 -1.735 0.895 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.607 -2.596 1.030 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.422 -3.948 0.858 1.00 0.00 O ATOM 0 H TYR T 91 -1.228 2.769 -0.485 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.814 1.593 0.171 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.204 2.112 1.592 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.651 1.800 2.530 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.024 -0.372 1.746 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.111 0.294 0.960 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.694 -2.786 1.444 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.441 -2.120 0.656 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.877 -4.105 0.059 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.957 3.729 0.746 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.679 4.905 1.204 1.00 0.00 C ATOM 1422 C CYS T 92 -6.129 4.737 2.653 1.00 0.00 C ATOM 1423 O CYS T 92 -6.343 3.620 3.119 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.885 5.157 0.303 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.452 5.668 -1.392 1.00 0.00 S ATOM 0 H CYS T 92 -5.522 3.068 0.212 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.009 5.763 1.154 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.486 4.249 0.255 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.509 5.928 0.756 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.260 5.852 3.362 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.674 5.827 4.759 1.00 0.00 C ATOM 1432 C TYR T 93 -7.460 7.086 5.113 1.00 0.00 C ATOM 1433 O TYR T 93 -6.987 8.203 4.907 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.443 5.698 5.658 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.754 5.740 7.139 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.343 6.858 7.720 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.451 4.661 7.960 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.621 6.896 9.074 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.727 4.692 9.313 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.312 5.812 9.866 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.587 5.846 11.213 1.00 0.00 O ATOM 0 H TYR T 93 -6.085 6.786 2.991 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.325 4.967 4.917 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.936 4.760 5.430 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.747 6.502 5.421 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.587 7.710 7.104 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.991 3.782 7.533 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.079 7.772 9.509 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.486 3.843 9.935 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.308 5.002 11.625 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.660 6.896 5.650 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.513 8.015 6.035 1.00 0.00 C ATOM 1453 C ASN T 94 -10.162 7.756 7.391 1.00 0.00 C ATOM 1454 O ASN T 94 -10.223 6.615 7.851 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.596 8.247 4.978 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.027 8.692 3.645 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.075 8.103 3.134 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.612 9.738 3.072 1.00 0.00 N ATOM 0 H ASN T 94 -9.065 5.977 5.829 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.891 8.907 6.109 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.163 7.327 4.837 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.295 9.001 5.340 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.274 10.082 2.173 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.399 10.197 3.531 1.00 0.00 H new