USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 LYS NZ :NH3+ -175:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 95 ASN : amide:sc= -0.0839 K(o=0.97,f=-4.4!) USER MOD Set 2.1: A 27 HIS : no HD1:sc= 0 X(o=-0.014,f=-0.014) USER MOD Set 2.2: A 29 ASN : amide:sc= -0.0142 K(o=-0.014,f=-5.5!) USER MOD Set 3.1: A 16 TYR OH : rot 48:sc= 0.248 USER MOD Set 3.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 11 GLN : amide:sc= 0.139 X(o=0.14,f=-0.054) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0546) USER MOD Single : A 33 SER OG : rot 67:sc= 0.516 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.09) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.66) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.13) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 1.32 (180deg=1.27) USER MOD Single : A 55 HIS : no HD1:sc= -3.65! K(o=-3.7!,f=0.056) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0961 USER MOD Single : A 73 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.34) USER MOD Single : A 75 THR OG1 : rot 69:sc= 0.603 USER MOD Single : A 82 MET CE :methyl -159:sc= -0.18 (180deg=-1.12) USER MOD Single : A 84 ASN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 85 TYR OH : rot 150:sc= -0.0338 USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00247) USER MOD Single : A 90 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.14) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.304 -11.453 9.474 1.00 45.43 N ATOM 92 CA TYR A 7 2.572 -10.257 9.090 1.00 32.23 C ATOM 93 C TYR A 7 2.522 -10.124 7.569 1.00 31.13 C ATOM 94 O TYR A 7 3.374 -9.479 6.958 1.00 74.51 O ATOM 95 CB TYR A 7 3.210 -9.011 9.710 1.00 64.54 C ATOM 96 CG TYR A 7 2.238 -8.151 10.491 1.00 5.01 C ATOM 97 CD1 TYR A 7 0.922 -7.987 10.073 1.00 1.11 C ATOM 98 CD2 TYR A 7 2.642 -7.497 11.647 1.00 65.12 C ATOM 99 CE1 TYR A 7 0.040 -7.195 10.785 1.00 52.33 C ATOM 100 CE2 TYR A 7 1.766 -6.705 12.364 1.00 31.45 C ATOM 101 CZ TYR A 7 0.469 -6.556 11.929 1.00 34.45 C ATOM 102 OH TYR A 7 -0.401 -5.762 12.639 1.00 65.43 O ATOM 0 HA TYR A 7 1.553 -10.347 9.465 1.00 32.23 H new ATOM 0 HB2 TYR A 7 4.020 -9.320 10.371 1.00 64.54 H new ATOM 0 HB3 TYR A 7 3.657 -8.410 8.918 1.00 64.54 H new ATOM 0 HD1 TYR A 7 0.583 -8.486 9.177 1.00 1.11 H new ATOM 0 HD2 TYR A 7 3.659 -7.609 11.992 1.00 65.12 H new ATOM 0 HE1 TYR A 7 -0.979 -7.078 10.447 1.00 52.33 H new ATOM 0 HE2 TYR A 7 2.098 -6.205 13.262 1.00 31.45 H new ATOM 0 HH TYR A 7 0.060 -5.387 13.418 1.00 65.43 H new ATOM 112 N THR A 8 1.544 -10.786 6.967 1.00 43.24 N ATOM 113 CA THR A 8 1.325 -10.713 5.531 1.00 75.54 C ATOM 114 C THR A 8 0.810 -9.323 5.156 1.00 40.41 C ATOM 115 O THR A 8 0.153 -8.675 5.967 1.00 75.52 O ATOM 116 CB THR A 8 0.308 -11.786 5.091 1.00 35.43 C ATOM 117 OG1 THR A 8 0.508 -12.984 5.854 1.00 11.13 O ATOM 118 CG2 THR A 8 0.457 -12.111 3.618 1.00 63.11 C ATOM 0 H THR A 8 0.883 -11.387 7.459 1.00 43.24 H new ATOM 0 HA THR A 8 2.270 -10.896 5.020 1.00 75.54 H new ATOM 0 HB THR A 8 -0.693 -11.391 5.264 1.00 35.43 H new ATOM 0 HG1 THR A 8 -0.141 -13.663 5.573 1.00 11.13 H new ATOM 0 HG21 THR A 8 -0.273 -12.870 3.337 1.00 63.11 H new ATOM 0 HG22 THR A 8 0.289 -11.210 3.028 1.00 63.11 H new ATOM 0 HG23 THR A 8 1.462 -12.487 3.428 1.00 63.11 H new ATOM 126 N VAL A 9 1.097 -8.868 3.937 1.00 51.32 N ATOM 127 CA VAL A 9 0.736 -7.511 3.515 1.00 54.13 C ATOM 128 C VAL A 9 -0.772 -7.259 3.636 1.00 24.30 C ATOM 129 O VAL A 9 -1.194 -6.197 4.099 1.00 12.44 O ATOM 130 CB VAL A 9 1.223 -7.213 2.072 1.00 12.13 C ATOM 131 CG1 VAL A 9 0.675 -8.228 1.081 1.00 3.41 C ATOM 132 CG2 VAL A 9 0.851 -5.798 1.654 1.00 34.35 C ATOM 0 H VAL A 9 1.578 -9.416 3.224 1.00 51.32 H new ATOM 0 HA VAL A 9 1.245 -6.826 4.193 1.00 54.13 H new ATOM 0 HB VAL A 9 2.310 -7.296 2.068 1.00 12.13 H new ATOM 0 HG11 VAL A 9 1.035 -7.990 0.080 1.00 3.41 H new ATOM 0 HG12 VAL A 9 1.011 -9.227 1.360 1.00 3.41 H new ATOM 0 HG13 VAL A 9 -0.414 -8.195 1.092 1.00 3.41 H new ATOM 0 HG21 VAL A 9 1.203 -5.614 0.639 1.00 34.35 H new ATOM 0 HG22 VAL A 9 -0.232 -5.681 1.689 1.00 34.35 H new ATOM 0 HG23 VAL A 9 1.315 -5.084 2.334 1.00 34.35 H new ATOM 142 N ALA A 10 -1.577 -8.250 3.255 1.00 1.42 N ATOM 143 CA ALA A 10 -3.028 -8.136 3.357 1.00 25.00 C ATOM 144 C ALA A 10 -3.463 -7.976 4.808 1.00 44.45 C ATOM 145 O ALA A 10 -4.399 -7.239 5.111 1.00 4.40 O ATOM 146 CB ALA A 10 -3.706 -9.350 2.743 1.00 25.42 C ATOM 0 H ALA A 10 -1.249 -9.137 2.874 1.00 1.42 H new ATOM 0 HA ALA A 10 -3.331 -7.246 2.805 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.788 -9.245 2.829 1.00 25.42 H new ATOM 0 HB2 ALA A 10 -3.432 -9.427 1.691 1.00 25.42 H new ATOM 0 HB3 ALA A 10 -3.386 -10.250 3.268 1.00 25.42 H new ATOM 152 N GLN A 11 -2.759 -8.655 5.702 1.00 34.43 N ATOM 153 CA GLN A 11 -3.092 -8.637 7.117 1.00 1.32 C ATOM 154 C GLN A 11 -2.564 -7.367 7.775 1.00 71.44 C ATOM 155 O GLN A 11 -3.235 -6.770 8.620 1.00 2.22 O ATOM 156 CB GLN A 11 -2.504 -9.871 7.805 1.00 51.21 C ATOM 157 CG GLN A 11 -2.836 -9.980 9.285 1.00 51.43 C ATOM 158 CD GLN A 11 -4.324 -10.117 9.544 1.00 50.33 C ATOM 159 OE1 GLN A 11 -4.856 -11.223 9.570 1.00 70.43 O ATOM 160 NE2 GLN A 11 -5.001 -8.996 9.743 1.00 45.35 N ATOM 0 H GLN A 11 -1.948 -9.229 5.469 1.00 34.43 H new ATOM 0 HA GLN A 11 -4.177 -8.653 7.221 1.00 1.32 H new ATOM 0 HB2 GLN A 11 -2.867 -10.764 7.296 1.00 51.21 H new ATOM 0 HB3 GLN A 11 -1.420 -9.856 7.688 1.00 51.21 H new ATOM 0 HG2 GLN A 11 -2.317 -10.841 9.707 1.00 51.43 H new ATOM 0 HG3 GLN A 11 -2.461 -9.097 9.803 1.00 51.43 H new ATOM 0 HE21 GLN A 11 -4.520 -8.097 9.713 1.00 45.35 H new ATOM 0 HE22 GLN A 11 -6.004 -9.032 9.926 1.00 45.35 H new ATOM 169 N LEU A 12 -1.368 -6.959 7.370 1.00 63.31 N ATOM 170 CA LEU A 12 -0.709 -5.794 7.940 1.00 21.11 C ATOM 171 C LEU A 12 -1.528 -4.542 7.667 1.00 30.23 C ATOM 172 O LEU A 12 -1.880 -3.810 8.589 1.00 13.14 O ATOM 173 CB LEU A 12 0.702 -5.649 7.351 1.00 15.15 C ATOM 174 CG LEU A 12 1.748 -4.997 8.268 1.00 31.31 C ATOM 175 CD1 LEU A 12 3.128 -5.109 7.644 1.00 60.44 C ATOM 176 CD2 LEU A 12 1.419 -3.536 8.547 1.00 21.32 C ATOM 0 H LEU A 12 -0.830 -7.425 6.640 1.00 63.31 H new ATOM 0 HA LEU A 12 -0.627 -5.926 9.019 1.00 21.11 H new ATOM 0 HB2 LEU A 12 1.061 -6.639 7.069 1.00 15.15 H new ATOM 0 HB3 LEU A 12 0.634 -5.062 6.435 1.00 15.15 H new ATOM 0 HG LEU A 12 1.734 -5.529 9.219 1.00 31.31 H new ATOM 0 HD11 LEU A 12 3.863 -4.644 8.301 1.00 60.44 H new ATOM 0 HD12 LEU A 12 3.380 -6.160 7.504 1.00 60.44 H new ATOM 0 HD13 LEU A 12 3.133 -4.603 6.679 1.00 60.44 H new ATOM 0 HD21 LEU A 12 2.181 -3.109 9.199 1.00 21.32 H new ATOM 0 HD22 LEU A 12 1.394 -2.983 7.608 1.00 21.32 H new ATOM 0 HD23 LEU A 12 0.446 -3.469 9.034 1.00 21.32 H new ATOM 188 N ALA A 13 -1.849 -4.318 6.401 1.00 5.43 N ATOM 189 CA ALA A 13 -2.602 -3.139 6.000 1.00 23.02 C ATOM 190 C ALA A 13 -3.996 -3.135 6.619 1.00 74.04 C ATOM 191 O ALA A 13 -4.503 -2.089 7.026 1.00 25.14 O ATOM 192 CB ALA A 13 -2.691 -3.069 4.485 1.00 34.00 C ATOM 0 H ALA A 13 -1.599 -4.939 5.632 1.00 5.43 H new ATOM 0 HA ALA A 13 -2.075 -2.258 6.366 1.00 23.02 H new ATOM 0 HB1 ALA A 13 -3.256 -2.184 4.194 1.00 34.00 H new ATOM 0 HB2 ALA A 13 -1.687 -3.013 4.064 1.00 34.00 H new ATOM 0 HB3 ALA A 13 -3.193 -3.960 4.108 1.00 34.00 H new ATOM 198 N ASP A 14 -4.599 -4.312 6.708 1.00 41.15 N ATOM 199 CA ASP A 14 -5.960 -4.431 7.210 1.00 33.02 C ATOM 200 C ASP A 14 -6.020 -4.095 8.695 1.00 2.33 C ATOM 201 O ASP A 14 -6.903 -3.363 9.141 1.00 42.01 O ATOM 202 CB ASP A 14 -6.493 -5.842 6.979 1.00 31.23 C ATOM 203 CG ASP A 14 -7.955 -5.840 6.589 1.00 33.55 C ATOM 204 OD1 ASP A 14 -8.826 -5.754 7.480 1.00 21.42 O ATOM 205 OD2 ASP A 14 -8.243 -5.918 5.378 1.00 60.44 O ATOM 0 H ASP A 14 -4.168 -5.197 6.440 1.00 41.15 H new ATOM 0 HA ASP A 14 -6.583 -3.722 6.665 1.00 33.02 H new ATOM 0 HB2 ASP A 14 -5.910 -6.326 6.196 1.00 31.23 H new ATOM 0 HB3 ASP A 14 -6.361 -6.432 7.886 1.00 31.23 H new ATOM 210 N GLU A 15 -5.060 -4.622 9.451 1.00 34.03 N ATOM 211 CA GLU A 15 -4.990 -4.380 10.887 1.00 55.45 C ATOM 212 C GLU A 15 -4.513 -2.951 11.155 1.00 33.34 C ATOM 213 O GLU A 15 -4.875 -2.338 12.161 1.00 73.25 O ATOM 214 CB GLU A 15 -4.050 -5.395 11.551 1.00 63.31 C ATOM 215 CG GLU A 15 -4.312 -5.590 13.037 1.00 73.43 C ATOM 216 CD GLU A 15 -3.315 -6.521 13.702 1.00 23.34 C ATOM 217 OE1 GLU A 15 -3.300 -7.729 13.386 1.00 3.34 O ATOM 218 OE2 GLU A 15 -2.534 -6.042 14.551 1.00 5.13 O ATOM 0 H GLU A 15 -4.318 -5.221 9.090 1.00 34.03 H new ATOM 0 HA GLU A 15 -5.985 -4.501 11.315 1.00 55.45 H new ATOM 0 HB2 GLU A 15 -4.150 -6.355 11.044 1.00 63.31 H new ATOM 0 HB3 GLU A 15 -3.020 -5.067 11.413 1.00 63.31 H new ATOM 0 HG2 GLU A 15 -4.283 -4.621 13.535 1.00 73.43 H new ATOM 0 HG3 GLU A 15 -5.318 -5.988 13.173 1.00 73.43 H new ATOM 225 N TYR A 16 -3.699 -2.435 10.236 1.00 54.22 N ATOM 226 CA TYR A 16 -3.170 -1.074 10.310 1.00 1.21 C ATOM 227 C TYR A 16 -4.308 -0.054 10.359 1.00 70.43 C ATOM 228 O TYR A 16 -4.208 0.974 11.033 1.00 54.34 O ATOM 229 CB TYR A 16 -2.283 -0.816 9.089 1.00 2.40 C ATOM 230 CG TYR A 16 -1.343 0.362 9.219 1.00 10.02 C ATOM 231 CD1 TYR A 16 -0.129 0.228 9.879 1.00 2.15 C ATOM 232 CD2 TYR A 16 -1.658 1.597 8.666 1.00 53.15 C ATOM 233 CE1 TYR A 16 0.747 1.290 9.984 1.00 34.54 C ATOM 234 CE2 TYR A 16 -0.788 2.667 8.769 1.00 54.23 C ATOM 235 CZ TYR A 16 0.413 2.508 9.429 1.00 31.41 C ATOM 236 OH TYR A 16 1.287 3.565 9.529 1.00 31.11 O ATOM 0 H TYR A 16 -3.386 -2.952 9.414 1.00 54.22 H new ATOM 0 HA TYR A 16 -2.582 -0.968 11.221 1.00 1.21 H new ATOM 0 HB2 TYR A 16 -1.694 -1.711 8.891 1.00 2.40 H new ATOM 0 HB3 TYR A 16 -2.923 -0.657 8.221 1.00 2.40 H new ATOM 0 HD1 TYR A 16 0.135 -0.723 10.318 1.00 2.15 H new ATOM 0 HD2 TYR A 16 -2.597 1.723 8.148 1.00 53.15 H new ATOM 0 HE1 TYR A 16 1.689 1.168 10.498 1.00 34.54 H new ATOM 0 HE2 TYR A 16 -1.047 3.622 8.335 1.00 54.23 H new ATOM 0 HH TYR A 16 2.188 3.269 9.281 1.00 31.11 H new ATOM 246 N PHE A 17 -5.391 -0.365 9.647 1.00 31.33 N ATOM 247 CA PHE A 17 -6.582 0.484 9.611 1.00 52.50 C ATOM 248 C PHE A 17 -7.092 0.772 11.020 1.00 23.52 C ATOM 249 O PHE A 17 -7.387 1.914 11.365 1.00 70.50 O ATOM 250 CB PHE A 17 -7.678 -0.207 8.787 1.00 10.23 C ATOM 251 CG PHE A 17 -8.993 0.530 8.750 1.00 43.21 C ATOM 252 CD1 PHE A 17 -9.963 0.299 9.716 1.00 14.34 C ATOM 253 CD2 PHE A 17 -9.261 1.444 7.747 1.00 53.42 C ATOM 254 CE1 PHE A 17 -11.169 0.970 9.681 1.00 45.25 C ATOM 255 CE2 PHE A 17 -10.469 2.118 7.709 1.00 61.52 C ATOM 256 CZ PHE A 17 -11.423 1.881 8.677 1.00 60.25 C ATOM 0 H PHE A 17 -5.468 -1.210 9.081 1.00 31.33 H new ATOM 0 HA PHE A 17 -6.318 1.434 9.147 1.00 52.50 H new ATOM 0 HB2 PHE A 17 -7.320 -0.336 7.766 1.00 10.23 H new ATOM 0 HB3 PHE A 17 -7.846 -1.204 9.194 1.00 10.23 H new ATOM 0 HD1 PHE A 17 -9.772 -0.414 10.504 1.00 14.34 H new ATOM 0 HD2 PHE A 17 -8.519 1.634 6.985 1.00 53.42 H new ATOM 0 HE1 PHE A 17 -11.914 0.782 10.440 1.00 45.25 H new ATOM 0 HE2 PHE A 17 -10.665 2.830 6.921 1.00 61.52 H new ATOM 0 HZ PHE A 17 -12.366 2.407 8.649 1.00 60.25 H new ATOM 266 N GLU A 18 -7.167 -0.274 11.829 1.00 5.23 N ATOM 267 CA GLU A 18 -7.699 -0.179 13.184 1.00 1.15 C ATOM 268 C GLU A 18 -6.814 0.677 14.081 1.00 74.23 C ATOM 269 O GLU A 18 -7.264 1.183 15.107 1.00 20.11 O ATOM 270 CB GLU A 18 -7.836 -1.579 13.786 1.00 72.54 C ATOM 271 CG GLU A 18 -8.915 -2.423 13.131 1.00 71.31 C ATOM 272 CD GLU A 18 -10.301 -1.858 13.355 1.00 42.21 C ATOM 273 OE1 GLU A 18 -10.734 -1.794 14.528 1.00 63.23 O ATOM 274 OE2 GLU A 18 -10.972 -1.493 12.366 1.00 64.42 O ATOM 0 H GLU A 18 -6.862 -1.212 11.567 1.00 5.23 H new ATOM 0 HA GLU A 18 -8.677 0.299 13.123 1.00 1.15 H new ATOM 0 HB2 GLU A 18 -6.881 -2.097 13.700 1.00 72.54 H new ATOM 0 HB3 GLU A 18 -8.055 -1.487 14.850 1.00 72.54 H new ATOM 0 HG2 GLU A 18 -8.721 -2.490 12.060 1.00 71.31 H new ATOM 0 HG3 GLU A 18 -8.870 -3.437 13.527 1.00 71.31 H new ATOM 281 N ARG A 19 -5.556 0.826 13.703 1.00 2.44 N ATOM 282 CA ARG A 19 -4.590 1.507 14.549 1.00 1.32 C ATOM 283 C ARG A 19 -4.584 3.011 14.282 1.00 2.53 C ATOM 284 O ARG A 19 -4.870 3.810 15.172 1.00 1.42 O ATOM 285 CB ARG A 19 -3.189 0.938 14.319 1.00 40.53 C ATOM 286 CG ARG A 19 -3.126 -0.581 14.315 1.00 15.43 C ATOM 287 CD ARG A 19 -3.593 -1.180 15.633 1.00 4.52 C ATOM 288 NE ARG A 19 -3.488 -2.641 15.632 1.00 44.42 N ATOM 289 CZ ARG A 19 -3.773 -3.414 16.680 1.00 2.31 C ATOM 290 NH1 ARG A 19 -4.236 -2.880 17.803 1.00 63.35 N ATOM 291 NH2 ARG A 19 -3.613 -4.728 16.601 1.00 64.25 N ATOM 0 H ARG A 19 -5.180 0.486 12.818 1.00 2.44 H new ATOM 0 HA ARG A 19 -4.882 1.342 15.586 1.00 1.32 H new ATOM 0 HB2 ARG A 19 -2.810 1.309 13.366 1.00 40.53 H new ATOM 0 HB3 ARG A 19 -2.524 1.316 15.095 1.00 40.53 H new ATOM 0 HG2 ARG A 19 -3.744 -0.966 13.504 1.00 15.43 H new ATOM 0 HG3 ARG A 19 -2.103 -0.900 14.115 1.00 15.43 H new ATOM 0 HD2 ARG A 19 -2.996 -0.773 16.449 1.00 4.52 H new ATOM 0 HD3 ARG A 19 -4.627 -0.890 15.818 1.00 4.52 H new ATOM 0 HE ARG A 19 -3.177 -3.096 14.774 1.00 44.42 H new ATOM 0 HH11 ARG A 19 -4.376 -1.872 17.868 1.00 63.35 H new ATOM 0 HH12 ARG A 19 -4.452 -3.478 18.601 1.00 63.35 H new ATOM 0 HH21 ARG A 19 -3.271 -5.149 15.737 1.00 64.25 H new ATOM 0 HH22 ARG A 19 -3.832 -5.318 17.404 1.00 64.25 H new ATOM 305 N MET A 20 -4.279 3.388 13.045 1.00 50.41 N ATOM 306 CA MET A 20 -4.054 4.794 12.702 1.00 4.41 C ATOM 307 C MET A 20 -5.344 5.533 12.355 1.00 2.25 C ATOM 308 O MET A 20 -5.370 6.765 12.324 1.00 0.13 O ATOM 309 CB MET A 20 -3.074 4.907 11.532 1.00 52.22 C ATOM 310 CG MET A 20 -1.611 4.744 11.923 1.00 51.54 C ATOM 311 SD MET A 20 -1.231 3.135 12.645 1.00 10.40 S ATOM 312 CE MET A 20 0.497 3.361 13.068 1.00 43.14 C ATOM 0 H MET A 20 -4.181 2.743 12.261 1.00 50.41 H new ATOM 0 HA MET A 20 -3.634 5.265 13.590 1.00 4.41 H new ATOM 0 HB2 MET A 20 -3.326 4.151 10.788 1.00 52.22 H new ATOM 0 HB3 MET A 20 -3.205 5.879 11.056 1.00 52.22 H new ATOM 0 HG2 MET A 20 -0.989 4.893 11.040 1.00 51.54 H new ATOM 0 HG3 MET A 20 -1.345 5.525 12.636 1.00 51.54 H new ATOM 0 HE1 MET A 20 0.881 2.450 13.527 1.00 43.14 H new ATOM 0 HE2 MET A 20 1.067 3.581 12.165 1.00 43.14 H new ATOM 0 HE3 MET A 20 0.594 4.189 13.770 1.00 43.14 H new ATOM 322 N ILE A 21 -6.407 4.791 12.091 1.00 2.24 N ATOM 323 CA ILE A 21 -7.672 5.390 11.666 1.00 32.35 C ATOM 324 C ILE A 21 -8.726 5.254 12.772 1.00 25.24 C ATOM 325 O ILE A 21 -9.932 5.261 12.528 1.00 44.03 O ATOM 326 CB ILE A 21 -8.155 4.751 10.341 1.00 35.15 C ATOM 327 CG1 ILE A 21 -6.978 4.683 9.360 1.00 72.34 C ATOM 328 CG2 ILE A 21 -9.301 5.555 9.730 1.00 13.43 C ATOM 329 CD1 ILE A 21 -7.326 4.101 8.012 1.00 2.42 C ATOM 0 H ILE A 21 -6.424 3.774 12.162 1.00 2.24 H new ATOM 0 HA ILE A 21 -7.515 6.453 11.484 1.00 32.35 H new ATOM 0 HB ILE A 21 -8.524 3.747 10.547 1.00 35.15 H new ATOM 0 HG12 ILE A 21 -6.581 5.688 9.217 1.00 72.34 H new ATOM 0 HG13 ILE A 21 -6.182 4.086 9.806 1.00 72.34 H new ATOM 0 HG21 ILE A 21 -9.621 5.084 8.800 1.00 13.43 H new ATOM 0 HG22 ILE A 21 -10.137 5.585 10.428 1.00 13.43 H new ATOM 0 HG23 ILE A 21 -8.964 6.571 9.525 1.00 13.43 H new ATOM 0 HD11 ILE A 21 -6.438 4.090 7.380 1.00 2.42 H new ATOM 0 HD12 ILE A 21 -7.694 3.083 8.139 1.00 2.42 H new ATOM 0 HD13 ILE A 21 -8.098 4.710 7.541 1.00 2.42 H new ATOM 341 N ALA A 22 -8.248 5.150 14.007 1.00 3.21 N ATOM 342 CA ALA A 22 -9.125 5.142 15.169 1.00 74.24 C ATOM 343 C ALA A 22 -8.882 6.386 16.017 1.00 24.21 C ATOM 344 O ALA A 22 -7.742 6.695 16.369 1.00 24.12 O ATOM 345 CB ALA A 22 -8.909 3.881 15.992 1.00 13.14 C ATOM 0 H ALA A 22 -7.255 5.070 14.228 1.00 3.21 H new ATOM 0 HA ALA A 22 -10.160 5.151 14.827 1.00 74.24 H new ATOM 0 HB1 ALA A 22 -9.573 3.892 16.856 1.00 13.14 H new ATOM 0 HB2 ALA A 22 -9.125 3.005 15.380 1.00 13.14 H new ATOM 0 HB3 ALA A 22 -7.874 3.840 16.330 1.00 13.14 H new ATOM 351 N GLY A 23 -9.952 7.093 16.344 1.00 32.40 N ATOM 352 CA GLY A 23 -9.832 8.313 17.114 1.00 70.22 C ATOM 353 C GLY A 23 -10.755 9.398 16.599 1.00 63.41 C ATOM 354 O GLY A 23 -11.864 9.570 17.104 1.00 14.50 O ATOM 0 H GLY A 23 -10.907 6.842 16.088 1.00 32.40 H new ATOM 0 HA2 GLY A 23 -10.062 8.107 18.159 1.00 70.22 H new ATOM 0 HA3 GLY A 23 -8.801 8.666 17.078 1.00 70.22 H new ATOM 358 N ARG A 24 -10.303 10.116 15.582 1.00 20.43 N ATOM 359 CA ARG A 24 -11.090 11.172 14.966 1.00 43.55 C ATOM 360 C ARG A 24 -10.714 11.264 13.494 1.00 13.24 C ATOM 361 O ARG A 24 -9.648 11.773 13.147 1.00 30.22 O ATOM 362 CB ARG A 24 -10.839 12.509 15.681 1.00 55.24 C ATOM 363 CG ARG A 24 -11.876 13.592 15.394 1.00 11.12 C ATOM 364 CD ARG A 24 -11.740 14.167 13.991 1.00 72.21 C ATOM 365 NE ARG A 24 -12.760 15.174 13.706 1.00 52.43 N ATOM 366 CZ ARG A 24 -13.085 15.577 12.479 1.00 50.51 C ATOM 367 NH1 ARG A 24 -12.497 15.032 11.419 1.00 31.03 N ATOM 368 NH2 ARG A 24 -13.999 16.522 12.313 1.00 1.43 N ATOM 0 H ARG A 24 -9.383 9.983 15.162 1.00 20.43 H new ATOM 0 HA ARG A 24 -12.152 10.944 15.053 1.00 43.55 H new ATOM 0 HB2 ARG A 24 -10.809 12.330 16.756 1.00 55.24 H new ATOM 0 HB3 ARG A 24 -9.856 12.881 15.392 1.00 55.24 H new ATOM 0 HG2 ARG A 24 -12.876 13.176 15.518 1.00 11.12 H new ATOM 0 HG3 ARG A 24 -11.772 14.394 16.124 1.00 11.12 H new ATOM 0 HD2 ARG A 24 -10.751 14.611 13.877 1.00 72.21 H new ATOM 0 HD3 ARG A 24 -11.814 13.361 13.261 1.00 72.21 H new ATOM 0 HE ARG A 24 -13.253 15.594 14.494 1.00 52.43 H new ATOM 0 HH11 ARG A 24 -11.795 14.303 11.544 1.00 31.03 H new ATOM 0 HH12 ARG A 24 -12.748 15.343 10.481 1.00 31.03 H new ATOM 0 HH21 ARG A 24 -14.453 16.940 13.125 1.00 1.43 H new ATOM 0 HH22 ARG A 24 -14.248 16.831 11.373 1.00 1.43 H new ATOM 382 N TRP A 25 -11.584 10.763 12.635 1.00 33.44 N ATOM 383 CA TRP A 25 -11.281 10.670 11.213 1.00 2.31 C ATOM 384 C TRP A 25 -12.486 11.076 10.356 1.00 65.02 C ATOM 385 O TRP A 25 -12.338 11.858 9.415 1.00 52.31 O ATOM 386 CB TRP A 25 -10.819 9.238 10.869 1.00 50.51 C ATOM 387 CG TRP A 25 -11.879 8.188 11.041 1.00 20.43 C ATOM 388 CD1 TRP A 25 -12.544 7.546 10.047 1.00 24.43 C ATOM 389 CD2 TRP A 25 -12.414 7.680 12.275 1.00 22.24 C ATOM 390 NE1 TRP A 25 -13.460 6.673 10.578 1.00 54.11 N ATOM 391 CE2 TRP A 25 -13.399 6.735 11.940 1.00 24.31 C ATOM 392 CE3 TRP A 25 -12.158 7.929 13.626 1.00 2.52 C ATOM 393 CZ2 TRP A 25 -14.125 6.040 12.902 1.00 1.14 C ATOM 394 CZ3 TRP A 25 -12.878 7.240 14.580 1.00 64.13 C ATOM 395 CH2 TRP A 25 -13.854 6.306 14.215 1.00 22.23 C ATOM 0 H TRP A 25 -12.506 10.414 12.895 1.00 33.44 H new ATOM 0 HA TRP A 25 -10.474 11.367 10.987 1.00 2.31 H new ATOM 0 HB2 TRP A 25 -10.470 9.220 9.836 1.00 50.51 H new ATOM 0 HB3 TRP A 25 -9.966 8.983 11.498 1.00 50.51 H new ATOM 0 HD1 TRP A 25 -12.376 7.700 8.991 1.00 24.43 H new ATOM 0 HE1 TRP A 25 -14.086 6.074 10.041 1.00 54.11 H new ATOM 0 HE3 TRP A 25 -11.408 8.649 13.919 1.00 2.52 H new ATOM 0 HZ2 TRP A 25 -14.876 5.316 12.621 1.00 1.14 H new ATOM 0 HZ3 TRP A 25 -12.685 7.425 15.626 1.00 64.13 H new ATOM 0 HH2 TRP A 25 -14.404 5.785 14.985 1.00 22.23 H new ATOM 406 N LYS A 26 -13.670 10.569 10.720 1.00 31.05 N ATOM 407 CA LYS A 26 -14.899 10.765 9.941 1.00 64.12 C ATOM 408 C LYS A 26 -14.802 10.142 8.548 1.00 50.53 C ATOM 409 O LYS A 26 -13.939 10.498 7.745 1.00 74.44 O ATOM 410 CB LYS A 26 -15.279 12.246 9.848 1.00 52.30 C ATOM 411 CG LYS A 26 -16.090 12.731 11.039 1.00 50.23 C ATOM 412 CD LYS A 26 -17.369 11.917 11.192 1.00 41.34 C ATOM 413 CE LYS A 26 -18.202 12.378 12.373 1.00 12.03 C ATOM 414 NZ LYS A 26 -18.745 13.748 12.178 1.00 22.40 N ATOM 0 H LYS A 26 -13.803 10.011 11.563 1.00 31.05 H new ATOM 0 HA LYS A 26 -15.693 10.247 10.478 1.00 64.12 H new ATOM 0 HB2 LYS A 26 -14.371 12.843 9.767 1.00 52.30 H new ATOM 0 HB3 LYS A 26 -15.851 12.411 8.935 1.00 52.30 H new ATOM 0 HG2 LYS A 26 -15.493 12.652 11.947 1.00 50.23 H new ATOM 0 HG3 LYS A 26 -16.338 13.785 10.911 1.00 50.23 H new ATOM 0 HD2 LYS A 26 -17.960 11.996 10.279 1.00 41.34 H new ATOM 0 HD3 LYS A 26 -17.115 10.864 11.317 1.00 41.34 H new ATOM 0 HE2 LYS A 26 -19.026 11.681 12.528 1.00 12.03 H new ATOM 0 HE3 LYS A 26 -17.592 12.356 13.276 1.00 12.03 H new ATOM 0 HZ1 LYS A 26 -19.401 13.975 12.952 1.00 22.40 H new ATOM 0 HZ2 LYS A 26 -17.963 14.434 12.175 1.00 22.40 H new ATOM 0 HZ3 LYS A 26 -19.251 13.795 11.270 1.00 22.40 H new ATOM 428 N HIS A 27 -15.716 9.211 8.279 1.00 34.43 N ATOM 429 CA HIS A 27 -15.756 8.469 7.014 1.00 64.42 C ATOM 430 C HIS A 27 -14.572 7.518 6.885 1.00 12.51 C ATOM 431 O HIS A 27 -13.568 7.833 6.246 1.00 71.01 O ATOM 432 CB HIS A 27 -15.822 9.407 5.798 1.00 33.31 C ATOM 433 CG HIS A 27 -17.189 9.957 5.541 1.00 62.31 C ATOM 434 ND1 HIS A 27 -17.547 11.263 5.797 1.00 0.10 N ATOM 435 CD2 HIS A 27 -18.289 9.362 5.033 1.00 15.30 C ATOM 436 CE1 HIS A 27 -18.810 11.443 5.461 1.00 34.34 C ATOM 437 NE2 HIS A 27 -19.283 10.306 4.994 1.00 0.30 N ATOM 0 H HIS A 27 -16.453 8.947 8.933 1.00 34.43 H new ATOM 0 HA HIS A 27 -16.671 7.877 7.030 1.00 64.42 H new ATOM 0 HB2 HIS A 27 -15.129 10.234 5.950 1.00 33.31 H new ATOM 0 HB3 HIS A 27 -15.485 8.866 4.914 1.00 33.31 H new ATOM 0 HD2 HIS A 27 -18.371 8.333 4.716 1.00 15.30 H new ATOM 0 HE1 HIS A 27 -19.363 12.366 5.553 1.00 34.34 H new ATOM 0 HE2 HIS A 27 -20.234 10.153 4.658 1.00 0.30 H new ATOM 446 N PRO A 28 -14.677 6.329 7.499 1.00 54.52 N ATOM 447 CA PRO A 28 -13.606 5.333 7.469 1.00 3.53 C ATOM 448 C PRO A 28 -13.531 4.616 6.126 1.00 1.33 C ATOM 449 O PRO A 28 -12.488 4.096 5.745 1.00 63.23 O ATOM 450 CB PRO A 28 -14.014 4.348 8.565 1.00 52.54 C ATOM 451 CG PRO A 28 -15.501 4.443 8.629 1.00 21.53 C ATOM 452 CD PRO A 28 -15.849 5.864 8.272 1.00 24.45 C ATOM 0 HA PRO A 28 -12.624 5.782 7.618 1.00 3.53 H new ATOM 0 HB2 PRO A 28 -13.692 3.334 8.326 1.00 52.54 H new ATOM 0 HB3 PRO A 28 -13.560 4.609 9.521 1.00 52.54 H new ATOM 0 HG2 PRO A 28 -15.966 3.743 7.935 1.00 21.53 H new ATOM 0 HG3 PRO A 28 -15.864 4.192 9.626 1.00 21.53 H new ATOM 0 HD2 PRO A 28 -16.764 5.916 7.682 1.00 24.45 H new ATOM 0 HD3 PRO A 28 -16.009 6.473 9.162 1.00 24.45 H new ATOM 460 N ASN A 29 -14.649 4.613 5.411 1.00 63.33 N ATOM 461 CA ASN A 29 -14.775 3.868 4.162 1.00 3.31 C ATOM 462 C ASN A 29 -13.916 4.470 3.053 1.00 42.44 C ATOM 463 O ASN A 29 -13.343 3.744 2.245 1.00 21.01 O ATOM 464 CB ASN A 29 -16.242 3.808 3.712 1.00 52.02 C ATOM 465 CG ASN A 29 -16.875 5.179 3.523 1.00 71.55 C ATOM 466 OD1 ASN A 29 -16.562 6.134 4.238 1.00 24.42 O ATOM 467 ND2 ASN A 29 -17.764 5.287 2.551 1.00 12.43 N ATOM 0 H ASN A 29 -15.491 5.124 5.678 1.00 63.33 H new ATOM 0 HA ASN A 29 -14.417 2.856 4.354 1.00 3.31 H new ATOM 0 HB2 ASN A 29 -16.304 3.256 2.774 1.00 52.02 H new ATOM 0 HB3 ASN A 29 -16.818 3.249 4.450 1.00 52.02 H new ATOM 0 HD21 ASN A 29 -18.217 6.183 2.371 1.00 12.43 H new ATOM 0 HD22 ASN A 29 -17.997 4.474 1.980 1.00 12.43 H new ATOM 474 N ILE A 30 -13.823 5.793 3.027 1.00 62.20 N ATOM 475 CA ILE A 30 -13.058 6.485 1.996 1.00 4.15 C ATOM 476 C ILE A 30 -11.586 6.077 2.044 1.00 23.43 C ATOM 477 O ILE A 30 -10.990 5.732 1.024 1.00 75.04 O ATOM 478 CB ILE A 30 -13.186 8.019 2.137 1.00 75.22 C ATOM 479 CG1 ILE A 30 -14.657 8.439 2.032 1.00 61.14 C ATOM 480 CG2 ILE A 30 -12.348 8.725 1.080 1.00 64.34 C ATOM 481 CD1 ILE A 30 -14.886 9.922 2.241 1.00 12.31 C ATOM 0 H ILE A 30 -14.267 6.409 3.708 1.00 62.20 H new ATOM 0 HA ILE A 30 -13.472 6.193 1.031 1.00 4.15 H new ATOM 0 HB ILE A 30 -12.811 8.312 3.118 1.00 75.22 H new ATOM 0 HG12 ILE A 30 -15.036 8.157 1.050 1.00 61.14 H new ATOM 0 HG13 ILE A 30 -15.237 7.884 2.769 1.00 61.14 H new ATOM 0 HG21 ILE A 30 -12.451 9.804 1.195 1.00 64.34 H new ATOM 0 HG22 ILE A 30 -11.301 8.445 1.199 1.00 64.34 H new ATOM 0 HG23 ILE A 30 -12.691 8.432 0.088 1.00 64.34 H new ATOM 0 HD11 ILE A 30 -15.950 10.142 2.152 1.00 12.31 H new ATOM 0 HD12 ILE A 30 -14.538 10.207 3.234 1.00 12.31 H new ATOM 0 HD13 ILE A 30 -14.335 10.485 1.488 1.00 12.31 H new ATOM 493 N VAL A 31 -11.011 6.091 3.238 1.00 31.02 N ATOM 494 CA VAL A 31 -9.619 5.701 3.406 1.00 2.12 C ATOM 495 C VAL A 31 -9.478 4.175 3.390 1.00 13.10 C ATOM 496 O VAL A 31 -8.437 3.637 3.012 1.00 54.45 O ATOM 497 CB VAL A 31 -9.021 6.289 4.707 1.00 63.43 C ATOM 498 CG1 VAL A 31 -9.779 5.806 5.931 1.00 12.41 C ATOM 499 CG2 VAL A 31 -7.542 5.957 4.820 1.00 64.11 C ATOM 0 H VAL A 31 -11.483 6.366 4.099 1.00 31.02 H new ATOM 0 HA VAL A 31 -9.057 6.110 2.566 1.00 2.12 H new ATOM 0 HB VAL A 31 -9.125 7.373 4.660 1.00 63.43 H new ATOM 0 HG11 VAL A 31 -9.334 6.237 6.828 1.00 12.41 H new ATOM 0 HG12 VAL A 31 -10.822 6.115 5.859 1.00 12.41 H new ATOM 0 HG13 VAL A 31 -9.726 4.719 5.986 1.00 12.41 H new ATOM 0 HG21 VAL A 31 -7.143 6.380 5.742 1.00 64.11 H new ATOM 0 HG22 VAL A 31 -7.412 4.875 4.832 1.00 64.11 H new ATOM 0 HG23 VAL A 31 -7.009 6.377 3.967 1.00 64.11 H new ATOM 509 N ARG A 32 -10.546 3.482 3.776 1.00 44.13 N ATOM 510 CA ARG A 32 -10.564 2.022 3.764 1.00 61.23 C ATOM 511 C ARG A 32 -10.362 1.497 2.347 1.00 22.12 C ATOM 512 O ARG A 32 -9.660 0.507 2.145 1.00 51.04 O ATOM 513 CB ARG A 32 -11.887 1.500 4.337 1.00 42.24 C ATOM 514 CG ARG A 32 -11.999 -0.018 4.388 1.00 61.04 C ATOM 515 CD ARG A 32 -10.982 -0.635 5.337 1.00 23.30 C ATOM 516 NE ARG A 32 -11.188 -2.075 5.482 1.00 42.15 N ATOM 517 CZ ARG A 32 -10.433 -2.878 6.238 1.00 4.13 C ATOM 518 NH1 ARG A 32 -9.429 -2.388 6.953 1.00 2.33 N ATOM 519 NH2 ARG A 32 -10.697 -4.175 6.287 1.00 63.14 N ATOM 0 H ARG A 32 -11.413 3.910 4.102 1.00 44.13 H new ATOM 0 HA ARG A 32 -9.746 1.663 4.388 1.00 61.23 H new ATOM 0 HB2 ARG A 32 -12.012 1.895 5.345 1.00 42.24 H new ATOM 0 HB3 ARG A 32 -12.708 1.892 3.737 1.00 42.24 H new ATOM 0 HG2 ARG A 32 -13.004 -0.297 4.704 1.00 61.04 H new ATOM 0 HG3 ARG A 32 -11.855 -0.426 3.387 1.00 61.04 H new ATOM 0 HD2 ARG A 32 -9.975 -0.446 4.965 1.00 23.30 H new ATOM 0 HD3 ARG A 32 -11.056 -0.156 6.313 1.00 23.30 H new ATOM 0 HE ARG A 32 -11.963 -2.497 4.970 1.00 42.15 H new ATOM 0 HH11 ARG A 32 -9.226 -1.389 6.930 1.00 2.33 H new ATOM 0 HH12 ARG A 32 -8.860 -3.011 7.526 1.00 2.33 H new ATOM 0 HH21 ARG A 32 -11.474 -4.558 5.749 1.00 63.14 H new ATOM 0 HH22 ARG A 32 -10.123 -4.791 6.863 1.00 63.14 H new ATOM 533 N SER A 33 -10.967 2.177 1.375 1.00 25.44 N ATOM 534 CA SER A 33 -10.840 1.798 -0.028 1.00 2.10 C ATOM 535 C SER A 33 -9.377 1.808 -0.468 1.00 20.50 C ATOM 536 O SER A 33 -8.946 0.953 -1.241 1.00 52.01 O ATOM 537 CB SER A 33 -11.664 2.740 -0.905 1.00 75.12 C ATOM 538 OG SER A 33 -13.033 2.715 -0.535 1.00 52.24 O ATOM 0 H SER A 33 -11.552 2.997 1.536 1.00 25.44 H new ATOM 0 HA SER A 33 -11.221 0.783 -0.143 1.00 2.10 H new ATOM 0 HB2 SER A 33 -11.278 3.756 -0.816 1.00 75.12 H new ATOM 0 HB3 SER A 33 -11.561 2.451 -1.951 1.00 75.12 H new ATOM 0 HG SER A 33 -13.137 3.097 0.362 1.00 52.24 H new ATOM 544 N ARG A 34 -8.612 2.769 0.039 1.00 72.55 N ATOM 545 CA ARG A 34 -7.182 2.826 -0.247 1.00 35.10 C ATOM 546 C ARG A 34 -6.498 1.564 0.260 1.00 41.33 C ATOM 547 O ARG A 34 -5.674 0.971 -0.425 1.00 22.54 O ATOM 548 CB ARG A 34 -6.537 4.056 0.404 1.00 71.44 C ATOM 549 CG ARG A 34 -6.485 5.296 -0.478 1.00 25.50 C ATOM 550 CD ARG A 34 -7.866 5.810 -0.844 1.00 31.20 C ATOM 551 NE ARG A 34 -7.804 7.153 -1.419 1.00 11.32 N ATOM 552 CZ ARG A 34 -8.686 7.641 -2.288 1.00 64.31 C ATOM 553 NH1 ARG A 34 -9.644 6.860 -2.780 1.00 2.31 N ATOM 554 NH2 ARG A 34 -8.586 8.902 -2.690 1.00 55.10 N ATOM 0 H ARG A 34 -8.954 3.514 0.646 1.00 72.55 H new ATOM 0 HA ARG A 34 -7.057 2.901 -1.327 1.00 35.10 H new ATOM 0 HB2 ARG A 34 -7.087 4.298 1.313 1.00 71.44 H new ATOM 0 HB3 ARG A 34 -5.521 3.799 0.705 1.00 71.44 H new ATOM 0 HG2 ARG A 34 -5.934 6.082 0.038 1.00 25.50 H new ATOM 0 HG3 ARG A 34 -5.933 5.066 -1.390 1.00 25.50 H new ATOM 0 HD2 ARG A 34 -8.331 5.129 -1.557 1.00 31.20 H new ATOM 0 HD3 ARG A 34 -8.498 5.822 0.044 1.00 31.20 H new ATOM 0 HE ARG A 34 -7.033 7.757 -1.135 1.00 11.32 H new ATOM 0 HH11 ARG A 34 -9.704 5.884 -2.491 1.00 2.31 H new ATOM 0 HH12 ARG A 34 -10.318 7.238 -3.446 1.00 2.31 H new ATOM 0 HH21 ARG A 34 -7.835 9.493 -2.333 1.00 55.10 H new ATOM 0 HH22 ARG A 34 -9.260 9.280 -3.356 1.00 55.10 H new ATOM 568 N ILE A 35 -6.875 1.147 1.456 1.00 73.14 N ATOM 569 CA ILE A 35 -6.237 0.019 2.111 1.00 31.13 C ATOM 570 C ILE A 35 -6.637 -1.319 1.489 1.00 72.21 C ATOM 571 O ILE A 35 -5.775 -2.121 1.130 1.00 32.15 O ATOM 572 CB ILE A 35 -6.553 0.012 3.621 1.00 33.21 C ATOM 573 CG1 ILE A 35 -5.981 1.276 4.272 1.00 14.45 C ATOM 574 CG2 ILE A 35 -5.993 -1.239 4.283 1.00 25.24 C ATOM 575 CD1 ILE A 35 -6.227 1.367 5.761 1.00 24.25 C ATOM 0 H ILE A 35 -7.626 1.577 1.997 1.00 73.14 H new ATOM 0 HA ILE A 35 -5.163 0.141 1.968 1.00 31.13 H new ATOM 0 HB ILE A 35 -7.634 0.004 3.757 1.00 33.21 H new ATOM 0 HG12 ILE A 35 -4.907 1.312 4.089 1.00 14.45 H new ATOM 0 HG13 ILE A 35 -6.417 2.150 3.788 1.00 14.45 H new ATOM 0 HG21 ILE A 35 -6.227 -1.223 5.347 1.00 25.24 H new ATOM 0 HG22 ILE A 35 -6.439 -2.123 3.826 1.00 25.24 H new ATOM 0 HG23 ILE A 35 -4.912 -1.268 4.150 1.00 25.24 H new ATOM 0 HD11 ILE A 35 -5.792 2.289 6.146 1.00 24.25 H new ATOM 0 HD12 ILE A 35 -7.300 1.364 5.953 1.00 24.25 H new ATOM 0 HD13 ILE A 35 -5.767 0.513 6.259 1.00 24.25 H new ATOM 587 N GLU A 36 -7.934 -1.564 1.346 1.00 70.24 N ATOM 588 CA GLU A 36 -8.394 -2.881 0.921 1.00 63.20 C ATOM 589 C GLU A 36 -8.359 -3.054 -0.596 1.00 23.12 C ATOM 590 O GLU A 36 -8.364 -4.181 -1.088 1.00 73.24 O ATOM 591 CB GLU A 36 -9.792 -3.194 1.485 1.00 10.11 C ATOM 592 CG GLU A 36 -10.875 -2.165 1.175 1.00 74.42 C ATOM 593 CD GLU A 36 -11.369 -2.211 -0.259 1.00 12.51 C ATOM 594 OE1 GLU A 36 -11.534 -3.324 -0.808 1.00 31.41 O ATOM 595 OE2 GLU A 36 -11.600 -1.134 -0.840 1.00 5.11 O ATOM 0 H GLU A 36 -8.674 -0.882 1.514 1.00 70.24 H new ATOM 0 HA GLU A 36 -7.691 -3.604 1.335 1.00 63.20 H new ATOM 0 HB2 GLU A 36 -10.113 -4.160 1.096 1.00 10.11 H new ATOM 0 HB3 GLU A 36 -9.713 -3.296 2.567 1.00 10.11 H new ATOM 0 HG2 GLU A 36 -11.719 -2.326 1.846 1.00 74.42 H new ATOM 0 HG3 GLU A 36 -10.487 -1.168 1.384 1.00 74.42 H new ATOM 602 N LYS A 37 -8.321 -1.955 -1.336 1.00 72.21 N ATOM 603 CA LYS A 37 -8.317 -2.034 -2.790 1.00 51.32 C ATOM 604 C LYS A 37 -6.964 -1.640 -3.380 1.00 13.54 C ATOM 605 O LYS A 37 -6.383 -2.398 -4.154 1.00 60.24 O ATOM 606 CB LYS A 37 -9.445 -1.173 -3.380 1.00 42.04 C ATOM 607 CG LYS A 37 -9.415 -1.068 -4.898 1.00 30.14 C ATOM 608 CD LYS A 37 -8.723 0.205 -5.349 1.00 53.43 C ATOM 609 CE LYS A 37 -8.318 0.143 -6.811 1.00 13.41 C ATOM 610 NZ LYS A 37 -7.695 1.414 -7.256 1.00 14.44 N ATOM 0 H LYS A 37 -8.293 -1.008 -0.959 1.00 72.21 H new ATOM 0 HA LYS A 37 -8.495 -3.074 -3.062 1.00 51.32 H new ATOM 0 HB2 LYS A 37 -10.404 -1.590 -3.074 1.00 42.04 H new ATOM 0 HB3 LYS A 37 -9.383 -0.171 -2.956 1.00 42.04 H new ATOM 0 HG2 LYS A 37 -8.898 -1.933 -5.314 1.00 30.14 H new ATOM 0 HG3 LYS A 37 -10.433 -1.088 -5.286 1.00 30.14 H new ATOM 0 HD2 LYS A 37 -9.388 1.054 -5.192 1.00 53.43 H new ATOM 0 HD3 LYS A 37 -7.839 0.375 -4.734 1.00 53.43 H new ATOM 0 HE2 LYS A 37 -7.618 -0.679 -6.961 1.00 13.41 H new ATOM 0 HE3 LYS A 37 -9.194 -0.068 -7.424 1.00 13.41 H new ATOM 0 HZ1 LYS A 37 -7.369 1.315 -8.239 1.00 14.44 H new ATOM 0 HZ2 LYS A 37 -8.394 2.182 -7.199 1.00 14.44 H new ATOM 0 HZ3 LYS A 37 -6.885 1.637 -6.643 1.00 14.44 H new ATOM 624 N ASP A 38 -6.466 -0.459 -3.024 1.00 35.42 N ATOM 625 CA ASP A 38 -5.226 0.048 -3.615 1.00 10.23 C ATOM 626 C ASP A 38 -4.002 -0.635 -3.016 1.00 41.23 C ATOM 627 O ASP A 38 -3.106 -1.059 -3.743 1.00 60.32 O ATOM 628 CB ASP A 38 -5.108 1.566 -3.440 1.00 43.23 C ATOM 629 CG ASP A 38 -6.249 2.322 -4.088 1.00 33.21 C ATOM 630 OD1 ASP A 38 -6.260 2.443 -5.331 1.00 15.23 O ATOM 631 OD2 ASP A 38 -7.142 2.799 -3.361 1.00 53.32 O ATOM 0 H ASP A 38 -6.895 0.161 -2.337 1.00 35.42 H new ATOM 0 HA ASP A 38 -5.265 -0.181 -4.680 1.00 10.23 H new ATOM 0 HB2 ASP A 38 -5.079 1.803 -2.377 1.00 43.23 H new ATOM 0 HB3 ASP A 38 -4.164 1.904 -3.868 1.00 43.23 H new ATOM 636 N ILE A 39 -3.965 -0.736 -1.691 1.00 51.21 N ATOM 637 CA ILE A 39 -2.851 -1.384 -1.006 1.00 72.12 C ATOM 638 C ILE A 39 -2.885 -2.894 -1.231 1.00 61.43 C ATOM 639 O ILE A 39 -1.841 -3.541 -1.332 1.00 22.31 O ATOM 640 CB ILE A 39 -2.860 -1.091 0.513 1.00 61.14 C ATOM 641 CG1 ILE A 39 -2.866 0.422 0.774 1.00 42.12 C ATOM 642 CG2 ILE A 39 -1.660 -1.741 1.192 1.00 43.13 C ATOM 643 CD1 ILE A 39 -1.680 1.158 0.185 1.00 35.10 C ATOM 0 H ILE A 39 -4.692 -0.378 -1.071 1.00 51.21 H new ATOM 0 HA ILE A 39 -1.935 -0.972 -1.429 1.00 72.12 H new ATOM 0 HB ILE A 39 -3.770 -1.517 0.936 1.00 61.14 H new ATOM 0 HG12 ILE A 39 -3.783 0.846 0.365 1.00 42.12 H new ATOM 0 HG13 ILE A 39 -2.888 0.594 1.850 1.00 42.12 H new ATOM 0 HG21 ILE A 39 -1.684 -1.523 2.260 1.00 43.13 H new ATOM 0 HG22 ILE A 39 -1.696 -2.820 1.041 1.00 43.13 H new ATOM 0 HG23 ILE A 39 -0.740 -1.345 0.762 1.00 43.13 H new ATOM 0 HD11 ILE A 39 -1.761 2.221 0.414 1.00 35.10 H new ATOM 0 HD12 ILE A 39 -0.758 0.764 0.612 1.00 35.10 H new ATOM 0 HD13 ILE A 39 -1.667 1.020 -0.896 1.00 35.10 H new ATOM 655 N LYS A 40 -4.087 -3.453 -1.322 1.00 70.21 N ATOM 656 CA LYS A 40 -4.243 -4.879 -1.582 1.00 54.13 C ATOM 657 C LYS A 40 -4.930 -5.109 -2.928 1.00 42.33 C ATOM 658 O LYS A 40 -6.125 -5.398 -2.971 1.00 23.23 O ATOM 659 CB LYS A 40 -5.061 -5.560 -0.476 1.00 24.31 C ATOM 660 CG LYS A 40 -4.561 -5.289 0.934 1.00 44.11 C ATOM 661 CD LYS A 40 -5.335 -6.099 1.970 1.00 53.13 C ATOM 662 CE LYS A 40 -6.833 -5.852 1.887 1.00 74.02 C ATOM 663 NZ LYS A 40 -7.591 -6.660 2.882 1.00 63.34 N ATOM 0 H LYS A 40 -4.964 -2.943 -1.220 1.00 70.21 H new ATOM 0 HA LYS A 40 -3.245 -5.317 -1.603 1.00 54.13 H new ATOM 0 HB2 LYS A 40 -6.097 -5.229 -0.551 1.00 24.31 H new ATOM 0 HB3 LYS A 40 -5.057 -6.636 -0.649 1.00 24.31 H new ATOM 0 HG2 LYS A 40 -3.501 -5.534 0.998 1.00 44.11 H new ATOM 0 HG3 LYS A 40 -4.657 -4.226 1.157 1.00 44.11 H new ATOM 0 HD2 LYS A 40 -5.134 -7.160 1.823 1.00 53.13 H new ATOM 0 HD3 LYS A 40 -4.981 -5.843 2.968 1.00 53.13 H new ATOM 0 HE2 LYS A 40 -7.035 -4.794 2.051 1.00 74.02 H new ATOM 0 HE3 LYS A 40 -7.184 -6.092 0.883 1.00 74.02 H new ATOM 0 HZ1 LYS A 40 -8.589 -6.718 2.595 1.00 63.34 H new ATOM 0 HZ2 LYS A 40 -7.189 -7.618 2.930 1.00 63.34 H new ATOM 0 HZ3 LYS A 40 -7.526 -6.210 3.817 1.00 63.34 H new ATOM 677 N PRO A 41 -4.200 -4.968 -4.046 1.00 21.22 N ATOM 678 CA PRO A 41 -4.765 -5.167 -5.383 1.00 12.45 C ATOM 679 C PRO A 41 -5.074 -6.639 -5.649 1.00 75.42 C ATOM 680 O PRO A 41 -6.199 -7.005 -5.999 1.00 40.22 O ATOM 681 CB PRO A 41 -3.659 -4.677 -6.332 1.00 23.31 C ATOM 682 CG PRO A 41 -2.670 -3.968 -5.467 1.00 3.21 C ATOM 683 CD PRO A 41 -2.782 -4.596 -4.111 1.00 15.53 C ATOM 0 HA PRO A 41 -5.708 -4.635 -5.510 1.00 12.45 H new ATOM 0 HB2 PRO A 41 -3.194 -5.512 -6.855 1.00 23.31 H new ATOM 0 HB3 PRO A 41 -4.063 -4.009 -7.093 1.00 23.31 H new ATOM 0 HG2 PRO A 41 -1.660 -4.072 -5.863 1.00 3.21 H new ATOM 0 HG3 PRO A 41 -2.886 -2.901 -5.422 1.00 3.21 H new ATOM 0 HD2 PRO A 41 -2.130 -5.464 -4.011 1.00 15.53 H new ATOM 0 HD3 PRO A 41 -2.509 -3.900 -3.318 1.00 15.53 H new ATOM 691 N ALA A 42 -4.060 -7.474 -5.473 1.00 63.42 N ATOM 692 CA ALA A 42 -4.186 -8.911 -5.665 1.00 42.35 C ATOM 693 C ALA A 42 -3.123 -9.617 -4.843 1.00 10.11 C ATOM 694 O ALA A 42 -3.377 -10.644 -4.215 1.00 2.23 O ATOM 695 CB ALA A 42 -4.057 -9.274 -7.137 1.00 1.41 C ATOM 0 H ALA A 42 -3.126 -7.174 -5.193 1.00 63.42 H new ATOM 0 HA ALA A 42 -5.173 -9.232 -5.332 1.00 42.35 H new ATOM 0 HB1 ALA A 42 -4.154 -10.353 -7.256 1.00 1.41 H new ATOM 0 HB2 ALA A 42 -4.842 -8.774 -7.705 1.00 1.41 H new ATOM 0 HB3 ALA A 42 -3.082 -8.955 -7.506 1.00 1.41 H new ATOM 701 N ILE A 43 -1.931 -9.036 -4.864 1.00 10.52 N ATOM 702 CA ILE A 43 -0.825 -9.458 -4.016 1.00 44.24 C ATOM 703 C ILE A 43 -1.162 -9.240 -2.542 1.00 43.51 C ATOM 704 O ILE A 43 -0.803 -8.226 -1.949 1.00 64.05 O ATOM 705 CB ILE A 43 0.458 -8.679 -4.377 1.00 34.25 C ATOM 706 CG1 ILE A 43 0.117 -7.206 -4.642 1.00 71.25 C ATOM 707 CG2 ILE A 43 1.134 -9.303 -5.590 1.00 33.42 C ATOM 708 CD1 ILE A 43 1.319 -6.330 -4.910 1.00 22.45 C ATOM 0 H ILE A 43 -1.703 -8.252 -5.475 1.00 10.52 H new ATOM 0 HA ILE A 43 -0.656 -10.521 -4.185 1.00 44.24 H new ATOM 0 HB ILE A 43 1.152 -8.730 -3.538 1.00 34.25 H new ATOM 0 HG12 ILE A 43 -0.558 -7.149 -5.496 1.00 71.25 H new ATOM 0 HG13 ILE A 43 -0.423 -6.809 -3.782 1.00 71.25 H new ATOM 0 HG21 ILE A 43 2.037 -8.742 -5.832 1.00 33.42 H new ATOM 0 HG22 ILE A 43 1.398 -10.337 -5.368 1.00 33.42 H new ATOM 0 HG23 ILE A 43 0.452 -9.277 -6.440 1.00 33.42 H new ATOM 0 HD11 ILE A 43 0.991 -5.306 -5.087 1.00 22.45 H new ATOM 0 HD12 ILE A 43 1.986 -6.353 -4.048 1.00 22.45 H new ATOM 0 HD13 ILE A 43 1.849 -6.698 -5.789 1.00 22.45 H new ATOM 720 N GLY A 44 -1.894 -10.180 -1.971 1.00 43.31 N ATOM 721 CA GLY A 44 -2.310 -10.059 -0.590 1.00 73.24 C ATOM 722 C GLY A 44 -1.657 -11.095 0.296 1.00 24.13 C ATOM 723 O GLY A 44 -1.165 -10.780 1.379 1.00 12.43 O ATOM 0 H GLY A 44 -2.210 -11.029 -2.440 1.00 43.31 H new ATOM 0 HA2 GLY A 44 -2.063 -9.063 -0.224 1.00 73.24 H new ATOM 0 HA3 GLY A 44 -3.393 -10.162 -0.528 1.00 73.24 H new ATOM 727 N SER A 45 -1.637 -12.332 -0.172 1.00 23.24 N ATOM 728 CA SER A 45 -1.050 -13.426 0.584 1.00 4.34 C ATOM 729 C SER A 45 0.384 -13.676 0.127 1.00 73.20 C ATOM 730 O SER A 45 0.976 -14.713 0.425 1.00 41.24 O ATOM 731 CB SER A 45 -1.899 -14.684 0.412 1.00 22.21 C ATOM 732 OG SER A 45 -3.254 -14.423 0.742 1.00 31.31 O ATOM 0 H SER A 45 -2.022 -12.604 -1.076 1.00 23.24 H new ATOM 0 HA SER A 45 -1.028 -13.160 1.641 1.00 4.34 H new ATOM 0 HB2 SER A 45 -1.831 -15.036 -0.617 1.00 22.21 H new ATOM 0 HB3 SER A 45 -1.511 -15.480 1.048 1.00 22.21 H new ATOM 0 HG SER A 45 -3.783 -15.240 0.624 1.00 31.31 H new ATOM 738 N LEU A 46 0.940 -12.701 -0.581 1.00 63.32 N ATOM 739 CA LEU A 46 2.301 -12.791 -1.094 1.00 12.43 C ATOM 740 C LEU A 46 3.267 -12.072 -0.147 1.00 3.33 C ATOM 741 O LEU A 46 4.307 -11.577 -0.556 1.00 73.35 O ATOM 742 CB LEU A 46 2.359 -12.180 -2.502 1.00 51.03 C ATOM 743 CG LEU A 46 3.644 -12.456 -3.289 1.00 33.23 C ATOM 744 CD1 LEU A 46 3.839 -13.952 -3.493 1.00 54.21 C ATOM 745 CD2 LEU A 46 3.616 -11.740 -4.630 1.00 13.25 C ATOM 0 H LEU A 46 0.463 -11.830 -0.815 1.00 63.32 H new ATOM 0 HA LEU A 46 2.600 -13.837 -1.154 1.00 12.43 H new ATOM 0 HB2 LEU A 46 1.513 -12.557 -3.077 1.00 51.03 H new ATOM 0 HB3 LEU A 46 2.231 -11.101 -2.416 1.00 51.03 H new ATOM 0 HG LEU A 46 4.485 -12.074 -2.710 1.00 33.23 H new ATOM 0 HD11 LEU A 46 4.757 -14.126 -4.054 1.00 54.21 H new ATOM 0 HD12 LEU A 46 3.907 -14.446 -2.524 1.00 54.21 H new ATOM 0 HD13 LEU A 46 2.993 -14.357 -4.048 1.00 54.21 H new ATOM 0 HD21 LEU A 46 4.538 -11.949 -5.173 1.00 13.25 H new ATOM 0 HD22 LEU A 46 2.764 -12.091 -5.212 1.00 13.25 H new ATOM 0 HD23 LEU A 46 3.526 -10.666 -4.467 1.00 13.25 H new ATOM 757 N LYS A 47 2.895 -12.040 1.129 1.00 73.31 N ATOM 758 CA LYS A 47 3.675 -11.395 2.199 1.00 14.44 C ATOM 759 C LYS A 47 4.094 -9.961 1.863 1.00 50.24 C ATOM 760 O LYS A 47 3.780 -9.425 0.805 1.00 34.02 O ATOM 761 CB LYS A 47 4.926 -12.210 2.548 1.00 61.12 C ATOM 762 CG LYS A 47 4.640 -13.606 3.075 1.00 63.31 C ATOM 763 CD LYS A 47 5.818 -14.151 3.874 1.00 65.34 C ATOM 764 CE LYS A 47 7.123 -14.064 3.096 1.00 20.20 C ATOM 765 NZ LYS A 47 8.272 -14.648 3.844 1.00 54.44 N ATOM 0 H LYS A 47 2.030 -12.466 1.462 1.00 73.31 H new ATOM 0 HA LYS A 47 3.005 -11.356 3.058 1.00 14.44 H new ATOM 0 HB2 LYS A 47 5.551 -12.292 1.659 1.00 61.12 H new ATOM 0 HB3 LYS A 47 5.503 -11.664 3.294 1.00 61.12 H new ATOM 0 HG2 LYS A 47 3.751 -13.584 3.705 1.00 63.31 H new ATOM 0 HG3 LYS A 47 4.424 -14.274 2.241 1.00 63.31 H new ATOM 0 HD2 LYS A 47 5.913 -13.593 4.806 1.00 65.34 H new ATOM 0 HD3 LYS A 47 5.625 -15.190 4.143 1.00 65.34 H new ATOM 0 HE2 LYS A 47 7.011 -14.584 2.145 1.00 20.20 H new ATOM 0 HE3 LYS A 47 7.336 -13.020 2.866 1.00 20.20 H new ATOM 0 HZ1 LYS A 47 9.164 -14.332 3.412 1.00 54.44 H new ATOM 0 HZ2 LYS A 47 8.237 -14.334 4.835 1.00 54.44 H new ATOM 0 HZ3 LYS A 47 8.219 -15.686 3.807 1.00 54.44 H new ATOM 779 N VAL A 48 4.753 -9.325 2.817 1.00 40.44 N ATOM 780 CA VAL A 48 5.390 -8.037 2.581 1.00 30.40 C ATOM 781 C VAL A 48 6.783 -8.265 1.998 1.00 3.42 C ATOM 782 O VAL A 48 7.357 -7.411 1.322 1.00 51.51 O ATOM 783 CB VAL A 48 5.497 -7.205 3.876 1.00 44.44 C ATOM 784 CG1 VAL A 48 5.961 -5.791 3.572 1.00 74.41 C ATOM 785 CG2 VAL A 48 4.169 -7.182 4.615 1.00 33.54 C ATOM 0 H VAL A 48 4.862 -9.680 3.767 1.00 40.44 H new ATOM 0 HA VAL A 48 4.773 -7.476 1.879 1.00 30.40 H new ATOM 0 HB VAL A 48 6.239 -7.678 4.520 1.00 44.44 H new ATOM 0 HG11 VAL A 48 6.029 -5.223 4.500 1.00 74.41 H new ATOM 0 HG12 VAL A 48 6.940 -5.824 3.094 1.00 74.41 H new ATOM 0 HG13 VAL A 48 5.247 -5.310 2.904 1.00 74.41 H new ATOM 0 HG21 VAL A 48 4.269 -6.590 5.525 1.00 33.54 H new ATOM 0 HG22 VAL A 48 3.405 -6.740 3.976 1.00 33.54 H new ATOM 0 HG23 VAL A 48 3.880 -8.200 4.875 1.00 33.54 H new ATOM 795 N GLU A 49 7.315 -9.444 2.279 1.00 73.45 N ATOM 796 CA GLU A 49 8.665 -9.809 1.877 1.00 14.33 C ATOM 797 C GLU A 49 8.705 -10.280 0.424 1.00 11.34 C ATOM 798 O GLU A 49 9.717 -10.133 -0.262 1.00 62.52 O ATOM 799 CB GLU A 49 9.169 -10.913 2.805 1.00 24.43 C ATOM 800 CG GLU A 49 10.581 -11.389 2.518 1.00 62.11 C ATOM 801 CD GLU A 49 10.970 -12.548 3.405 1.00 71.23 C ATOM 802 OE1 GLU A 49 10.715 -13.707 3.013 1.00 2.23 O ATOM 803 OE2 GLU A 49 11.502 -12.310 4.507 1.00 54.43 O ATOM 0 H GLU A 49 6.823 -10.175 2.792 1.00 73.45 H new ATOM 0 HA GLU A 49 9.308 -8.932 1.953 1.00 14.33 H new ATOM 0 HB2 GLU A 49 9.124 -10.553 3.833 1.00 24.43 H new ATOM 0 HB3 GLU A 49 8.492 -11.764 2.735 1.00 24.43 H new ATOM 0 HG2 GLU A 49 10.659 -11.688 1.473 1.00 62.11 H new ATOM 0 HG3 GLU A 49 11.280 -10.566 2.667 1.00 62.11 H new ATOM 810 N ASP A 50 7.598 -10.840 -0.043 1.00 25.20 N ATOM 811 CA ASP A 50 7.539 -11.401 -1.388 1.00 4.20 C ATOM 812 C ASP A 50 6.977 -10.400 -2.388 1.00 54.11 C ATOM 813 O ASP A 50 7.102 -10.585 -3.602 1.00 44.44 O ATOM 814 CB ASP A 50 6.711 -12.687 -1.403 1.00 50.14 C ATOM 815 CG ASP A 50 7.525 -13.909 -1.057 1.00 34.04 C ATOM 816 OD1 ASP A 50 8.174 -14.472 -1.963 1.00 50.15 O ATOM 817 OD2 ASP A 50 7.516 -14.321 0.118 1.00 41.03 O ATOM 0 H ASP A 50 6.730 -10.919 0.487 1.00 25.20 H new ATOM 0 HA ASP A 50 8.560 -11.637 -1.688 1.00 4.20 H new ATOM 0 HB2 ASP A 50 5.887 -12.592 -0.695 1.00 50.14 H new ATOM 0 HB3 ASP A 50 6.269 -12.818 -2.391 1.00 50.14 H new ATOM 822 N VAL A 51 6.362 -9.334 -1.891 1.00 75.35 N ATOM 823 CA VAL A 51 5.895 -8.272 -2.766 1.00 3.50 C ATOM 824 C VAL A 51 7.072 -7.383 -3.183 1.00 22.23 C ATOM 825 O VAL A 51 7.367 -6.359 -2.575 1.00 23.43 O ATOM 826 CB VAL A 51 4.746 -7.434 -2.135 1.00 15.24 C ATOM 827 CG1 VAL A 51 5.134 -6.858 -0.781 1.00 1.10 C ATOM 828 CG2 VAL A 51 4.309 -6.326 -3.080 1.00 2.10 C ATOM 0 H VAL A 51 6.178 -9.185 -0.899 1.00 75.35 H new ATOM 0 HA VAL A 51 5.471 -8.740 -3.654 1.00 3.50 H new ATOM 0 HB VAL A 51 3.907 -8.110 -1.972 1.00 15.24 H new ATOM 0 HG11 VAL A 51 4.301 -6.281 -0.379 1.00 1.10 H new ATOM 0 HG12 VAL A 51 5.377 -7.670 -0.096 1.00 1.10 H new ATOM 0 HG13 VAL A 51 6.002 -6.209 -0.897 1.00 1.10 H new ATOM 0 HG21 VAL A 51 3.505 -5.752 -2.620 1.00 2.10 H new ATOM 0 HG22 VAL A 51 5.154 -5.668 -3.285 1.00 2.10 H new ATOM 0 HG23 VAL A 51 3.955 -6.763 -4.014 1.00 2.10 H new ATOM 838 N LYS A 52 7.778 -7.835 -4.203 1.00 52.21 N ATOM 839 CA LYS A 52 8.938 -7.129 -4.729 1.00 23.45 C ATOM 840 C LYS A 52 8.509 -5.845 -5.439 1.00 61.02 C ATOM 841 O LYS A 52 7.362 -5.730 -5.879 1.00 43.54 O ATOM 842 CB LYS A 52 9.680 -8.027 -5.722 1.00 24.14 C ATOM 843 CG LYS A 52 9.760 -9.490 -5.305 1.00 31.41 C ATOM 844 CD LYS A 52 10.419 -9.653 -3.951 1.00 74.51 C ATOM 845 CE LYS A 52 10.511 -11.115 -3.544 1.00 71.54 C ATOM 846 NZ LYS A 52 11.230 -11.290 -2.255 1.00 34.14 N ATOM 0 H LYS A 52 7.565 -8.704 -4.693 1.00 52.21 H new ATOM 0 HA LYS A 52 9.594 -6.873 -3.897 1.00 23.45 H new ATOM 0 HB2 LYS A 52 9.185 -7.964 -6.691 1.00 24.14 H new ATOM 0 HB3 LYS A 52 10.692 -7.643 -5.855 1.00 24.14 H new ATOM 0 HG2 LYS A 52 8.757 -9.915 -5.275 1.00 31.41 H new ATOM 0 HG3 LYS A 52 10.321 -10.051 -6.052 1.00 31.41 H new ATOM 0 HD2 LYS A 52 11.418 -9.219 -3.978 1.00 74.51 H new ATOM 0 HD3 LYS A 52 9.852 -9.101 -3.201 1.00 74.51 H new ATOM 0 HE2 LYS A 52 9.507 -11.531 -3.459 1.00 71.54 H new ATOM 0 HE3 LYS A 52 11.024 -11.677 -4.324 1.00 71.54 H new ATOM 0 HZ1 LYS A 52 11.226 -12.295 -1.989 1.00 34.14 H new ATOM 0 HZ2 LYS A 52 12.212 -10.963 -2.358 1.00 34.14 H new ATOM 0 HZ3 LYS A 52 10.756 -10.734 -1.515 1.00 34.14 H new ATOM 860 N PRO A 53 9.432 -4.876 -5.579 1.00 34.12 N ATOM 861 CA PRO A 53 9.175 -3.615 -6.291 1.00 13.04 C ATOM 862 C PRO A 53 8.632 -3.836 -7.702 1.00 54.33 C ATOM 863 O PRO A 53 7.885 -3.010 -8.222 1.00 64.15 O ATOM 864 CB PRO A 53 10.551 -2.948 -6.348 1.00 75.32 C ATOM 865 CG PRO A 53 11.286 -3.509 -5.182 1.00 53.42 C ATOM 866 CD PRO A 53 10.800 -4.924 -5.029 1.00 31.24 C ATOM 0 HA PRO A 53 8.416 -3.017 -5.787 1.00 13.04 H new ATOM 0 HB2 PRO A 53 11.062 -3.172 -7.284 1.00 75.32 H new ATOM 0 HB3 PRO A 53 10.469 -1.863 -6.281 1.00 75.32 H new ATOM 0 HG2 PRO A 53 12.363 -3.482 -5.349 1.00 53.42 H new ATOM 0 HG3 PRO A 53 11.089 -2.929 -4.280 1.00 53.42 H new ATOM 0 HD2 PRO A 53 11.429 -5.626 -5.576 1.00 31.24 H new ATOM 0 HD3 PRO A 53 10.803 -5.239 -3.986 1.00 31.24 H new ATOM 874 N ARG A 54 9.001 -4.966 -8.310 1.00 10.40 N ATOM 875 CA ARG A 54 8.507 -5.324 -9.639 1.00 30.32 C ATOM 876 C ARG A 54 6.978 -5.407 -9.658 1.00 25.32 C ATOM 877 O ARG A 54 6.342 -5.103 -10.667 1.00 11.30 O ATOM 878 CB ARG A 54 9.096 -6.661 -10.103 1.00 30.21 C ATOM 879 CG ARG A 54 8.785 -7.824 -9.174 1.00 61.24 C ATOM 880 CD ARG A 54 8.904 -9.165 -9.885 1.00 75.54 C ATOM 881 NE ARG A 54 10.212 -9.356 -10.509 1.00 3.45 N ATOM 882 CZ ARG A 54 10.605 -10.499 -11.071 1.00 13.01 C ATOM 883 NH1 ARG A 54 9.812 -11.562 -11.051 1.00 52.14 N ATOM 884 NH2 ARG A 54 11.795 -10.573 -11.653 1.00 72.44 N ATOM 0 H ARG A 54 9.640 -5.648 -7.902 1.00 10.40 H new ATOM 0 HA ARG A 54 8.826 -4.538 -10.324 1.00 30.32 H new ATOM 0 HB2 ARG A 54 8.713 -6.890 -11.098 1.00 30.21 H new ATOM 0 HB3 ARG A 54 10.177 -6.559 -10.193 1.00 30.21 H new ATOM 0 HG2 ARG A 54 9.467 -7.802 -8.324 1.00 61.24 H new ATOM 0 HG3 ARG A 54 7.776 -7.712 -8.777 1.00 61.24 H new ATOM 0 HD2 ARG A 54 8.726 -9.968 -9.170 1.00 75.54 H new ATOM 0 HD3 ARG A 54 8.128 -9.238 -10.647 1.00 75.54 H new ATOM 0 HE ARG A 54 10.861 -8.569 -10.515 1.00 3.45 H new ATOM 0 HH11 ARG A 54 8.897 -11.507 -10.604 1.00 52.14 H new ATOM 0 HH12 ARG A 54 10.117 -12.434 -11.483 1.00 52.14 H new ATOM 0 HH21 ARG A 54 12.406 -9.757 -11.669 1.00 72.44 H new ATOM 0 HH22 ARG A 54 12.099 -11.446 -12.084 1.00 72.44 H new ATOM 898 N HIS A 55 6.393 -5.816 -8.537 1.00 61.04 N ATOM 899 CA HIS A 55 4.939 -5.918 -8.434 1.00 13.15 C ATOM 900 C HIS A 55 4.355 -4.530 -8.250 1.00 14.45 C ATOM 901 O HIS A 55 3.289 -4.210 -8.779 1.00 14.21 O ATOM 902 CB HIS A 55 4.519 -6.813 -7.262 1.00 64.11 C ATOM 903 CG HIS A 55 5.123 -8.186 -7.282 1.00 63.31 C ATOM 904 ND1 HIS A 55 4.865 -9.123 -8.258 1.00 32.44 N ATOM 905 CD2 HIS A 55 5.996 -8.767 -6.434 1.00 24.03 C ATOM 906 CE1 HIS A 55 5.560 -10.218 -8.002 1.00 42.54 C ATOM 907 NE2 HIS A 55 6.254 -10.028 -6.902 1.00 51.21 N ATOM 0 H HIS A 55 6.898 -6.081 -7.691 1.00 61.04 H new ATOM 0 HA HIS A 55 4.561 -6.369 -9.351 1.00 13.15 H new ATOM 0 HB2 HIS A 55 4.795 -6.322 -6.329 1.00 64.11 H new ATOM 0 HB3 HIS A 55 3.433 -6.907 -7.264 1.00 64.11 H new ATOM 0 HD2 HIS A 55 6.416 -8.319 -5.546 1.00 24.03 H new ATOM 0 HE1 HIS A 55 5.558 -11.119 -8.598 1.00 42.54 H new ATOM 0 HE2 HIS A 55 6.880 -10.707 -6.469 1.00 51.21 H new ATOM 916 N ILE A 56 5.086 -3.709 -7.509 1.00 62.42 N ATOM 917 CA ILE A 56 4.680 -2.340 -7.228 1.00 11.23 C ATOM 918 C ILE A 56 4.627 -1.518 -8.515 1.00 73.02 C ATOM 919 O ILE A 56 3.705 -0.735 -8.718 1.00 13.31 O ATOM 920 CB ILE A 56 5.647 -1.671 -6.222 1.00 65.44 C ATOM 921 CG1 ILE A 56 5.749 -2.505 -4.941 1.00 73.00 C ATOM 922 CG2 ILE A 56 5.199 -0.253 -5.897 1.00 61.31 C ATOM 923 CD1 ILE A 56 4.431 -2.682 -4.215 1.00 73.40 C ATOM 0 H ILE A 56 5.976 -3.973 -7.086 1.00 62.42 H new ATOM 0 HA ILE A 56 3.684 -2.374 -6.787 1.00 11.23 H new ATOM 0 HB ILE A 56 6.633 -1.619 -6.684 1.00 65.44 H new ATOM 0 HG12 ILE A 56 6.150 -3.488 -5.190 1.00 73.00 H new ATOM 0 HG13 ILE A 56 6.463 -2.031 -4.267 1.00 73.00 H new ATOM 0 HG21 ILE A 56 5.895 0.195 -5.188 1.00 61.31 H new ATOM 0 HG22 ILE A 56 5.179 0.341 -6.811 1.00 61.31 H new ATOM 0 HG23 ILE A 56 4.201 -0.278 -5.459 1.00 61.31 H new ATOM 0 HD11 ILE A 56 4.587 -3.283 -3.319 1.00 73.40 H new ATOM 0 HD12 ILE A 56 4.037 -1.706 -3.933 1.00 73.40 H new ATOM 0 HD13 ILE A 56 3.719 -3.185 -4.870 1.00 73.40 H new ATOM 935 N ASP A 57 5.604 -1.727 -9.391 1.00 14.21 N ATOM 936 CA ASP A 57 5.661 -1.018 -10.669 1.00 1.31 C ATOM 937 C ASP A 57 4.401 -1.288 -11.482 1.00 55.32 C ATOM 938 O ASP A 57 3.842 -0.392 -12.120 1.00 55.10 O ATOM 939 CB ASP A 57 6.899 -1.456 -11.460 1.00 21.40 C ATOM 940 CG ASP A 57 7.020 -0.758 -12.803 1.00 60.42 C ATOM 941 OD1 ASP A 57 6.413 -1.231 -13.789 1.00 53.34 O ATOM 942 OD2 ASP A 57 7.732 0.265 -12.884 1.00 32.02 O ATOM 0 H ASP A 57 6.370 -2.383 -9.241 1.00 14.21 H new ATOM 0 HA ASP A 57 5.727 0.052 -10.471 1.00 1.31 H new ATOM 0 HB2 ASP A 57 7.792 -1.253 -10.869 1.00 21.40 H new ATOM 0 HB3 ASP A 57 6.860 -2.534 -11.619 1.00 21.40 H new ATOM 947 N ASP A 58 3.945 -2.530 -11.428 1.00 3.21 N ATOM 948 CA ASP A 58 2.766 -2.949 -12.177 1.00 42.02 C ATOM 949 C ASP A 58 1.498 -2.330 -11.597 1.00 22.13 C ATOM 950 O ASP A 58 0.669 -1.786 -12.336 1.00 64.21 O ATOM 951 CB ASP A 58 2.652 -4.475 -12.187 1.00 4.23 C ATOM 952 CG ASP A 58 1.379 -4.956 -12.858 1.00 65.20 C ATOM 953 OD1 ASP A 58 1.272 -4.854 -14.099 1.00 75.41 O ATOM 954 OD2 ASP A 58 0.478 -5.442 -12.145 1.00 4.11 O ATOM 0 H ASP A 58 4.374 -3.269 -10.872 1.00 3.21 H new ATOM 0 HA ASP A 58 2.878 -2.597 -13.203 1.00 42.02 H new ATOM 0 HB2 ASP A 58 3.514 -4.898 -12.704 1.00 4.23 H new ATOM 0 HB3 ASP A 58 2.682 -4.845 -11.162 1.00 4.23 H new ATOM 959 N VAL A 59 1.354 -2.391 -10.278 1.00 45.31 N ATOM 960 CA VAL A 59 0.155 -1.876 -9.624 1.00 73.34 C ATOM 961 C VAL A 59 0.127 -0.346 -9.630 1.00 54.24 C ATOM 962 O VAL A 59 -0.945 0.257 -9.696 1.00 11.03 O ATOM 963 CB VAL A 59 0.003 -2.404 -8.176 1.00 51.02 C ATOM 964 CG1 VAL A 59 -0.116 -3.920 -8.171 1.00 10.24 C ATOM 965 CG2 VAL A 59 1.158 -1.958 -7.292 1.00 13.03 C ATOM 0 H VAL A 59 2.047 -2.789 -9.644 1.00 45.31 H new ATOM 0 HA VAL A 59 -0.692 -2.244 -10.204 1.00 73.34 H new ATOM 0 HB VAL A 59 -0.912 -1.978 -7.764 1.00 51.02 H new ATOM 0 HG11 VAL A 59 -0.222 -4.273 -7.145 1.00 10.24 H new ATOM 0 HG12 VAL A 59 -0.990 -4.218 -8.750 1.00 10.24 H new ATOM 0 HG13 VAL A 59 0.779 -4.357 -8.614 1.00 10.24 H new ATOM 0 HG21 VAL A 59 1.016 -2.348 -6.284 1.00 13.03 H new ATOM 0 HG22 VAL A 59 2.095 -2.337 -7.699 1.00 13.03 H new ATOM 0 HG23 VAL A 59 1.191 -0.869 -7.259 1.00 13.03 H new ATOM 975 N LEU A 60 1.302 0.282 -9.577 1.00 64.41 N ATOM 976 CA LEU A 60 1.385 1.738 -9.647 1.00 33.22 C ATOM 977 C LEU A 60 0.856 2.239 -10.979 1.00 43.43 C ATOM 978 O LEU A 60 0.054 3.169 -11.025 1.00 41.02 O ATOM 979 CB LEU A 60 2.820 2.233 -9.445 1.00 12.24 C ATOM 980 CG LEU A 60 3.344 2.153 -8.009 1.00 62.12 C ATOM 981 CD1 LEU A 60 4.765 2.689 -7.933 1.00 0.14 C ATOM 982 CD2 LEU A 60 2.436 2.920 -7.058 1.00 33.53 C ATOM 0 H LEU A 60 2.201 -0.191 -9.487 1.00 64.41 H new ATOM 0 HA LEU A 60 0.770 2.136 -8.840 1.00 33.22 H new ATOM 0 HB2 LEU A 60 3.481 1.652 -10.088 1.00 12.24 H new ATOM 0 HB3 LEU A 60 2.880 3.269 -9.779 1.00 12.24 H new ATOM 0 HG LEU A 60 3.349 1.106 -7.706 1.00 62.12 H new ATOM 0 HD11 LEU A 60 5.123 2.625 -6.906 1.00 0.14 H new ATOM 0 HD12 LEU A 60 5.412 2.097 -8.580 1.00 0.14 H new ATOM 0 HD13 LEU A 60 4.779 3.729 -8.259 1.00 0.14 H new ATOM 0 HD21 LEU A 60 2.828 2.849 -6.044 1.00 33.53 H new ATOM 0 HD22 LEU A 60 2.395 3.967 -7.359 1.00 33.53 H new ATOM 0 HD23 LEU A 60 1.433 2.494 -7.090 1.00 33.53 H new ATOM 994 N LYS A 61 1.291 1.607 -12.060 1.00 72.44 N ATOM 995 CA LYS A 61 0.833 1.961 -13.379 1.00 61.54 C ATOM 996 C LYS A 61 -0.681 1.808 -13.468 1.00 74.32 C ATOM 997 O LYS A 61 -1.373 2.655 -14.031 1.00 34.32 O ATOM 998 CB LYS A 61 1.509 1.055 -14.392 1.00 72.13 C ATOM 999 CG LYS A 61 1.217 1.426 -15.821 1.00 71.33 C ATOM 1000 CD LYS A 61 1.184 0.195 -16.689 1.00 72.24 C ATOM 1001 CE LYS A 61 -0.077 -0.619 -16.446 1.00 13.11 C ATOM 1002 NZ LYS A 61 -0.158 -1.803 -17.337 1.00 2.55 N ATOM 0 H LYS A 61 1.965 0.842 -12.040 1.00 72.44 H new ATOM 0 HA LYS A 61 1.086 3.000 -13.588 1.00 61.54 H new ATOM 0 HB2 LYS A 61 2.587 1.084 -14.231 1.00 72.13 H new ATOM 0 HB3 LYS A 61 1.188 0.028 -14.219 1.00 72.13 H new ATOM 0 HG2 LYS A 61 0.261 1.946 -15.880 1.00 71.33 H new ATOM 0 HG3 LYS A 61 1.978 2.116 -16.187 1.00 71.33 H new ATOM 0 HD2 LYS A 61 1.235 0.486 -17.738 1.00 72.24 H new ATOM 0 HD3 LYS A 61 2.061 -0.420 -16.486 1.00 72.24 H new ATOM 0 HE2 LYS A 61 -0.102 -0.946 -15.406 1.00 13.11 H new ATOM 0 HE3 LYS A 61 -0.951 0.013 -16.603 1.00 13.11 H new ATOM 0 HZ1 LYS A 61 -1.033 -2.329 -17.137 1.00 2.55 H new ATOM 0 HZ2 LYS A 61 -0.160 -1.491 -18.329 1.00 2.55 H new ATOM 0 HZ3 LYS A 61 0.662 -2.420 -17.170 1.00 2.55 H new ATOM 1016 N ALA A 62 -1.181 0.724 -12.890 1.00 74.22 N ATOM 1017 CA ALA A 62 -2.606 0.423 -12.902 1.00 63.10 C ATOM 1018 C ALA A 62 -3.412 1.457 -12.116 1.00 1.52 C ATOM 1019 O ALA A 62 -4.431 1.951 -12.601 1.00 3.52 O ATOM 1020 CB ALA A 62 -2.849 -0.972 -12.347 1.00 75.44 C ATOM 0 H ALA A 62 -0.613 0.032 -12.402 1.00 74.22 H new ATOM 0 HA ALA A 62 -2.946 0.463 -13.937 1.00 63.10 H new ATOM 0 HB1 ALA A 62 -3.917 -1.188 -12.360 1.00 75.44 H new ATOM 0 HB2 ALA A 62 -2.323 -1.704 -12.960 1.00 75.44 H new ATOM 0 HB3 ALA A 62 -2.481 -1.025 -11.323 1.00 75.44 H new ATOM 1026 N VAL A 63 -2.956 1.795 -10.911 1.00 52.41 N ATOM 1027 CA VAL A 63 -3.688 2.737 -10.064 1.00 32.12 C ATOM 1028 C VAL A 63 -3.643 4.150 -10.651 1.00 53.33 C ATOM 1029 O VAL A 63 -4.562 4.945 -10.450 1.00 70.32 O ATOM 1030 CB VAL A 63 -3.169 2.742 -8.602 1.00 23.15 C ATOM 1031 CG1 VAL A 63 -1.762 3.311 -8.502 1.00 51.24 C ATOM 1032 CG2 VAL A 63 -4.120 3.511 -7.695 1.00 71.20 C ATOM 0 H VAL A 63 -2.093 1.436 -10.502 1.00 52.41 H new ATOM 0 HA VAL A 63 -4.724 2.398 -10.040 1.00 32.12 H new ATOM 0 HB VAL A 63 -3.129 1.705 -8.269 1.00 23.15 H new ATOM 0 HG11 VAL A 63 -1.437 3.296 -7.462 1.00 51.24 H new ATOM 0 HG12 VAL A 63 -1.082 2.708 -9.103 1.00 51.24 H new ATOM 0 HG13 VAL A 63 -1.758 4.337 -8.869 1.00 51.24 H new ATOM 0 HG21 VAL A 63 -3.737 3.502 -6.675 1.00 71.20 H new ATOM 0 HG22 VAL A 63 -4.202 4.541 -8.043 1.00 71.20 H new ATOM 0 HG23 VAL A 63 -5.103 3.042 -7.717 1.00 71.20 H new ATOM 1042 N MET A 64 -2.586 4.454 -11.395 1.00 61.44 N ATOM 1043 CA MET A 64 -2.490 5.736 -12.083 1.00 44.21 C ATOM 1044 C MET A 64 -3.382 5.738 -13.316 1.00 11.41 C ATOM 1045 O MET A 64 -3.943 6.768 -13.690 1.00 43.51 O ATOM 1046 CB MET A 64 -1.045 6.036 -12.491 1.00 72.15 C ATOM 1047 CG MET A 64 -0.098 6.216 -11.316 1.00 74.12 C ATOM 1048 SD MET A 64 1.604 6.503 -11.837 1.00 72.23 S ATOM 1049 CE MET A 64 2.438 6.549 -10.252 1.00 52.12 C ATOM 0 H MET A 64 -1.788 3.835 -11.537 1.00 61.44 H new ATOM 0 HA MET A 64 -2.822 6.513 -11.394 1.00 44.21 H new ATOM 0 HB2 MET A 64 -0.679 5.224 -13.119 1.00 72.15 H new ATOM 0 HB3 MET A 64 -1.030 6.940 -13.099 1.00 72.15 H new ATOM 0 HG2 MET A 64 -0.435 7.056 -10.708 1.00 74.12 H new ATOM 0 HG3 MET A 64 -0.136 5.329 -10.684 1.00 74.12 H new ATOM 0 HE1 MET A 64 3.503 6.720 -10.406 1.00 52.12 H new ATOM 0 HE2 MET A 64 2.025 7.356 -9.647 1.00 52.12 H new ATOM 0 HE3 MET A 64 2.294 5.599 -9.737 1.00 52.12 H new ATOM 1059 N LYS A 65 -3.508 4.573 -13.939 1.00 21.23 N ATOM 1060 CA LYS A 65 -4.305 4.416 -15.130 1.00 62.21 C ATOM 1061 C LYS A 65 -5.793 4.563 -14.814 1.00 44.11 C ATOM 1062 O LYS A 65 -6.388 5.604 -15.080 1.00 24.22 O ATOM 1063 CB LYS A 65 -4.033 3.042 -15.739 1.00 61.00 C ATOM 1064 CG LYS A 65 -4.041 3.013 -17.255 1.00 35.32 C ATOM 1065 CD LYS A 65 -5.294 3.643 -17.830 1.00 41.01 C ATOM 1066 CE LYS A 65 -5.098 5.126 -18.102 1.00 71.14 C ATOM 1067 NZ LYS A 65 -6.304 5.760 -18.695 1.00 60.15 N ATOM 0 H LYS A 65 -3.056 3.714 -13.625 1.00 21.23 H new ATOM 0 HA LYS A 65 -4.033 5.195 -15.842 1.00 62.21 H new ATOM 0 HB2 LYS A 65 -3.064 2.688 -15.387 1.00 61.00 H new ATOM 0 HB3 LYS A 65 -4.782 2.341 -15.371 1.00 61.00 H new ATOM 0 HG2 LYS A 65 -3.165 3.540 -17.632 1.00 35.32 H new ATOM 0 HG3 LYS A 65 -3.964 1.981 -17.598 1.00 35.32 H new ATOM 0 HD2 LYS A 65 -5.566 3.135 -18.755 1.00 41.01 H new ATOM 0 HD3 LYS A 65 -6.123 3.506 -17.136 1.00 41.01 H new ATOM 0 HE2 LYS A 65 -4.846 5.633 -17.170 1.00 71.14 H new ATOM 0 HE3 LYS A 65 -4.252 5.260 -18.777 1.00 71.14 H new ATOM 0 HZ1 LYS A 65 -6.119 6.770 -18.861 1.00 60.15 H new ATOM 0 HZ2 LYS A 65 -6.532 5.296 -19.598 1.00 60.15 H new ATOM 0 HZ3 LYS A 65 -7.107 5.658 -18.042 1.00 60.15 H new ATOM 1081 N ARG A 66 -6.384 3.515 -14.246 1.00 32.32 N ATOM 1082 CA ARG A 66 -7.815 3.513 -13.940 1.00 31.31 C ATOM 1083 C ARG A 66 -8.165 4.603 -12.931 1.00 4.13 C ATOM 1084 O ARG A 66 -9.276 5.135 -12.937 1.00 72.41 O ATOM 1085 CB ARG A 66 -8.267 2.145 -13.415 1.00 42.33 C ATOM 1086 CG ARG A 66 -7.530 1.681 -12.170 1.00 54.44 C ATOM 1087 CD ARG A 66 -8.205 0.478 -11.536 1.00 44.24 C ATOM 1088 NE ARG A 66 -9.532 0.809 -11.022 1.00 24.21 N ATOM 1089 CZ ARG A 66 -10.280 -0.007 -10.280 1.00 51.05 C ATOM 1090 NH1 ARG A 66 -9.847 -1.223 -9.961 1.00 0.32 N ATOM 1091 NH2 ARG A 66 -11.470 0.398 -9.862 1.00 53.34 N ATOM 0 H ARG A 66 -5.897 2.657 -13.988 1.00 32.32 H new ATOM 0 HA ARG A 66 -8.346 3.719 -14.869 1.00 31.31 H new ATOM 0 HB2 ARG A 66 -9.334 2.186 -13.197 1.00 42.33 H new ATOM 0 HB3 ARG A 66 -8.131 1.403 -14.202 1.00 42.33 H new ATOM 0 HG2 ARG A 66 -6.502 1.428 -12.428 1.00 54.44 H new ATOM 0 HG3 ARG A 66 -7.485 2.496 -11.448 1.00 54.44 H new ATOM 0 HD2 ARG A 66 -8.289 -0.321 -12.272 1.00 44.24 H new ATOM 0 HD3 ARG A 66 -7.585 0.099 -10.724 1.00 44.24 H new ATOM 0 HE ARG A 66 -9.912 1.728 -11.247 1.00 24.21 H new ATOM 0 HH11 ARG A 66 -8.933 -1.540 -10.285 1.00 0.32 H new ATOM 0 HH12 ARG A 66 -10.429 -1.839 -9.392 1.00 0.32 H new ATOM 0 HH21 ARG A 66 -11.808 1.328 -10.108 1.00 53.34 H new ATOM 0 HH22 ARG A 66 -12.049 -0.221 -9.294 1.00 53.34 H new ATOM 1105 N GLY A 67 -7.214 4.930 -12.070 1.00 74.21 N ATOM 1106 CA GLY A 67 -7.435 5.968 -11.092 1.00 42.13 C ATOM 1107 C GLY A 67 -6.790 7.270 -11.507 1.00 2.42 C ATOM 1108 O GLY A 67 -7.300 7.967 -12.386 1.00 64.24 O ATOM 0 H GLY A 67 -6.293 4.493 -12.033 1.00 74.21 H new ATOM 0 HA2 GLY A 67 -8.506 6.119 -10.956 1.00 42.13 H new ATOM 0 HA3 GLY A 67 -7.033 5.653 -10.129 1.00 42.13 H new ATOM 1112 N ALA A 68 -5.661 7.584 -10.891 1.00 44.34 N ATOM 1113 CA ALA A 68 -4.941 8.816 -11.174 1.00 24.11 C ATOM 1114 C ALA A 68 -3.610 8.825 -10.441 1.00 61.03 C ATOM 1115 O ALA A 68 -3.504 8.300 -9.333 1.00 53.10 O ATOM 1116 CB ALA A 68 -5.764 10.031 -10.765 1.00 13.21 C ATOM 0 H ALA A 68 -5.220 6.996 -10.184 1.00 44.34 H new ATOM 0 HA ALA A 68 -4.760 8.865 -12.248 1.00 24.11 H new ATOM 0 HB1 ALA A 68 -5.205 10.940 -10.986 1.00 13.21 H new ATOM 0 HB2 ALA A 68 -6.703 10.038 -11.319 1.00 13.21 H new ATOM 0 HB3 ALA A 68 -5.974 9.985 -9.696 1.00 13.21 H new ATOM 1122 N PRO A 69 -2.569 9.411 -11.049 1.00 72.01 N ATOM 1123 CA PRO A 69 -1.270 9.577 -10.393 1.00 75.12 C ATOM 1124 C PRO A 69 -1.394 10.439 -9.141 1.00 75.14 C ATOM 1125 O PRO A 69 -0.655 10.261 -8.176 1.00 55.31 O ATOM 1126 CB PRO A 69 -0.407 10.280 -11.450 1.00 41.04 C ATOM 1127 CG PRO A 69 -1.376 10.858 -12.425 1.00 50.52 C ATOM 1128 CD PRO A 69 -2.563 9.939 -12.424 1.00 22.33 C ATOM 0 HA PRO A 69 -0.847 8.628 -10.064 1.00 75.12 H new ATOM 0 HB2 PRO A 69 0.210 11.058 -11.000 1.00 41.04 H new ATOM 0 HB3 PRO A 69 0.270 9.577 -11.937 1.00 41.04 H new ATOM 0 HG2 PRO A 69 -1.665 11.868 -12.136 1.00 50.52 H new ATOM 0 HG3 PRO A 69 -0.935 10.925 -13.420 1.00 50.52 H new ATOM 0 HD2 PRO A 69 -3.486 10.471 -12.657 1.00 22.33 H new ATOM 0 HD3 PRO A 69 -2.459 9.143 -13.162 1.00 22.33 H new ATOM 1136 N SER A 70 -2.368 11.345 -9.163 1.00 23.42 N ATOM 1137 CA SER A 70 -2.615 12.262 -8.060 1.00 43.23 C ATOM 1138 C SER A 70 -2.839 11.508 -6.750 1.00 13.45 C ATOM 1139 O SER A 70 -2.197 11.801 -5.737 1.00 31.40 O ATOM 1140 CB SER A 70 -3.837 13.112 -8.394 1.00 4.43 C ATOM 1141 OG SER A 70 -3.879 13.387 -9.784 1.00 62.24 O ATOM 0 H SER A 70 -3.008 11.462 -9.949 1.00 23.42 H new ATOM 0 HA SER A 70 -1.740 12.899 -7.926 1.00 43.23 H new ATOM 0 HB2 SER A 70 -4.745 12.590 -8.092 1.00 4.43 H new ATOM 0 HB3 SER A 70 -3.804 14.046 -7.832 1.00 4.43 H new ATOM 0 HG SER A 70 -4.668 13.932 -9.986 1.00 62.24 H new ATOM 1147 N ILE A 71 -3.738 10.530 -6.774 1.00 73.31 N ATOM 1148 CA ILE A 71 -4.026 9.739 -5.585 1.00 31.02 C ATOM 1149 C ILE A 71 -2.908 8.737 -5.314 1.00 24.05 C ATOM 1150 O ILE A 71 -2.623 8.415 -4.162 1.00 40.40 O ATOM 1151 CB ILE A 71 -5.381 8.999 -5.688 1.00 3.35 C ATOM 1152 CG1 ILE A 71 -5.426 8.099 -6.928 1.00 70.21 C ATOM 1153 CG2 ILE A 71 -6.526 10.001 -5.710 1.00 71.15 C ATOM 1154 CD1 ILE A 71 -6.695 7.279 -7.048 1.00 51.34 C ATOM 0 H ILE A 71 -4.277 10.268 -7.599 1.00 73.31 H new ATOM 0 HA ILE A 71 -4.091 10.439 -4.752 1.00 31.02 H new ATOM 0 HB ILE A 71 -5.490 8.362 -4.810 1.00 3.35 H new ATOM 0 HG12 ILE A 71 -5.320 8.719 -7.818 1.00 70.21 H new ATOM 0 HG13 ILE A 71 -4.570 7.424 -6.906 1.00 70.21 H new ATOM 0 HG21 ILE A 71 -7.474 9.468 -5.783 1.00 71.15 H new ATOM 0 HG22 ILE A 71 -6.511 10.591 -4.794 1.00 71.15 H new ATOM 0 HG23 ILE A 71 -6.414 10.662 -6.569 1.00 71.15 H new ATOM 0 HD11 ILE A 71 -6.650 6.669 -7.950 1.00 51.34 H new ATOM 0 HD12 ILE A 71 -6.793 6.631 -6.177 1.00 51.34 H new ATOM 0 HD13 ILE A 71 -7.555 7.946 -7.103 1.00 51.34 H new ATOM 1166 N ALA A 72 -2.258 8.274 -6.383 1.00 10.23 N ATOM 1167 CA ALA A 72 -1.166 7.310 -6.267 1.00 13.02 C ATOM 1168 C ALA A 72 -0.019 7.875 -5.432 1.00 31.30 C ATOM 1169 O ALA A 72 0.647 7.141 -4.700 1.00 54.24 O ATOM 1170 CB ALA A 72 -0.665 6.910 -7.646 1.00 61.14 C ATOM 0 H ALA A 72 -2.471 8.553 -7.341 1.00 10.23 H new ATOM 0 HA ALA A 72 -1.551 6.425 -5.760 1.00 13.02 H new ATOM 0 HB1 ALA A 72 0.148 6.192 -7.543 1.00 61.14 H new ATOM 0 HB2 ALA A 72 -1.479 6.458 -8.212 1.00 61.14 H new ATOM 0 HB3 ALA A 72 -0.304 7.794 -8.172 1.00 61.14 H new ATOM 1176 N ASN A 73 0.203 9.181 -5.548 1.00 12.33 N ATOM 1177 CA ASN A 73 1.229 9.865 -4.758 1.00 11.21 C ATOM 1178 C ASN A 73 0.937 9.708 -3.272 1.00 3.43 C ATOM 1179 O ASN A 73 1.833 9.447 -2.470 1.00 11.15 O ATOM 1180 CB ASN A 73 1.275 11.358 -5.099 1.00 62.43 C ATOM 1181 CG ASN A 73 1.523 11.627 -6.569 1.00 71.44 C ATOM 1182 OD1 ASN A 73 2.250 10.894 -7.241 1.00 13.03 O ATOM 1183 ND2 ASN A 73 0.903 12.677 -7.082 1.00 22.12 N ATOM 0 H ASN A 73 -0.314 9.790 -6.182 1.00 12.33 H new ATOM 0 HA ASN A 73 2.192 9.414 -4.997 1.00 11.21 H new ATOM 0 HB2 ASN A 73 0.332 11.820 -4.806 1.00 62.43 H new ATOM 0 HB3 ASN A 73 2.060 11.834 -4.512 1.00 62.43 H new ATOM 0 HD21 ASN A 73 1.018 12.905 -8.069 1.00 22.12 H new ATOM 0 HD22 ASN A 73 0.310 13.258 -6.490 1.00 22.12 H new ATOM 1190 N ASP A 74 -0.331 9.864 -2.914 1.00 24.21 N ATOM 1191 CA ASP A 74 -0.755 9.735 -1.521 1.00 61.32 C ATOM 1192 C ASP A 74 -0.735 8.271 -1.091 1.00 21.10 C ATOM 1193 O ASP A 74 -0.441 7.961 0.063 1.00 72.41 O ATOM 1194 CB ASP A 74 -2.151 10.326 -1.316 1.00 63.01 C ATOM 1195 CG ASP A 74 -2.559 10.353 0.147 1.00 35.23 C ATOM 1196 OD1 ASP A 74 -1.906 11.072 0.937 1.00 34.03 O ATOM 1197 OD2 ASP A 74 -3.554 9.686 0.507 1.00 62.44 O ATOM 0 H ASP A 74 -1.085 10.080 -3.566 1.00 24.21 H new ATOM 0 HA ASP A 74 -0.053 10.294 -0.902 1.00 61.32 H new ATOM 0 HB2 ASP A 74 -2.176 11.340 -1.716 1.00 63.01 H new ATOM 0 HB3 ASP A 74 -2.877 9.742 -1.882 1.00 63.01 H new ATOM 1202 N THR A 75 -1.039 7.377 -2.027 1.00 32.33 N ATOM 1203 CA THR A 75 -0.955 5.942 -1.783 1.00 50.42 C ATOM 1204 C THR A 75 0.468 5.558 -1.370 1.00 14.41 C ATOM 1205 O THR A 75 0.670 4.678 -0.530 1.00 71.12 O ATOM 1206 CB THR A 75 -1.370 5.140 -3.037 1.00 65.13 C ATOM 1207 OG1 THR A 75 -2.652 5.590 -3.496 1.00 5.21 O ATOM 1208 CG2 THR A 75 -1.432 3.648 -2.743 1.00 3.01 C ATOM 0 H THR A 75 -1.348 7.624 -2.967 1.00 32.33 H new ATOM 0 HA THR A 75 -1.643 5.697 -0.974 1.00 50.42 H new ATOM 0 HB THR A 75 -0.619 5.306 -3.809 1.00 65.13 H new ATOM 0 HG1 THR A 75 -2.570 6.497 -3.859 1.00 5.21 H new ATOM 0 HG21 THR A 75 -1.727 3.111 -3.645 1.00 3.01 H new ATOM 0 HG22 THR A 75 -0.451 3.300 -2.418 1.00 3.01 H new ATOM 0 HG23 THR A 75 -2.162 3.462 -1.955 1.00 3.01 H new ATOM 1216 N LEU A 76 1.447 6.248 -1.947 1.00 41.24 N ATOM 1217 CA LEU A 76 2.846 6.032 -1.603 1.00 32.34 C ATOM 1218 C LEU A 76 3.101 6.381 -0.138 1.00 30.15 C ATOM 1219 O LEU A 76 3.950 5.772 0.513 1.00 44.11 O ATOM 1220 CB LEU A 76 3.755 6.867 -2.509 1.00 14.11 C ATOM 1221 CG LEU A 76 3.712 6.499 -3.993 1.00 12.45 C ATOM 1222 CD1 LEU A 76 4.554 7.470 -4.805 1.00 54.50 C ATOM 1223 CD2 LEU A 76 4.197 5.072 -4.201 1.00 53.42 C ATOM 0 H LEU A 76 1.295 6.964 -2.658 1.00 41.24 H new ATOM 0 HA LEU A 76 3.075 4.977 -1.753 1.00 32.34 H new ATOM 0 HB2 LEU A 76 3.481 7.917 -2.403 1.00 14.11 H new ATOM 0 HB3 LEU A 76 4.782 6.769 -2.156 1.00 14.11 H new ATOM 0 HG LEU A 76 2.680 6.566 -4.336 1.00 12.45 H new ATOM 0 HD11 LEU A 76 4.513 7.194 -5.859 1.00 54.50 H new ATOM 0 HD12 LEU A 76 4.166 8.481 -4.679 1.00 54.50 H new ATOM 0 HD13 LEU A 76 5.587 7.432 -4.460 1.00 54.50 H new ATOM 0 HD21 LEU A 76 4.160 4.826 -5.262 1.00 53.42 H new ATOM 0 HD22 LEU A 76 5.222 4.980 -3.843 1.00 53.42 H new ATOM 0 HD23 LEU A 76 3.557 4.386 -3.647 1.00 53.42 H new ATOM 1235 N ARG A 77 2.359 7.357 0.378 1.00 34.12 N ATOM 1236 CA ARG A 77 2.457 7.726 1.786 1.00 50.00 C ATOM 1237 C ARG A 77 1.972 6.582 2.666 1.00 62.52 C ATOM 1238 O ARG A 77 2.618 6.228 3.654 1.00 22.13 O ATOM 1239 CB ARG A 77 1.624 8.970 2.096 1.00 42.32 C ATOM 1240 CG ARG A 77 2.123 10.248 1.450 1.00 72.42 C ATOM 1241 CD ARG A 77 1.226 11.411 1.829 1.00 35.15 C ATOM 1242 NE ARG A 77 1.703 12.688 1.306 1.00 61.31 N ATOM 1243 CZ ARG A 77 0.912 13.583 0.718 1.00 34.33 C ATOM 1244 NH1 ARG A 77 -0.362 13.289 0.483 1.00 53.33 N ATOM 1245 NH2 ARG A 77 1.397 14.764 0.358 1.00 53.03 N ATOM 0 H ARG A 77 1.685 7.905 -0.157 1.00 34.12 H new ATOM 0 HA ARG A 77 3.505 7.941 1.994 1.00 50.00 H new ATOM 0 HB2 ARG A 77 0.598 8.793 1.773 1.00 42.32 H new ATOM 0 HB3 ARG A 77 1.598 9.112 3.176 1.00 42.32 H new ATOM 0 HG2 ARG A 77 3.146 10.450 1.768 1.00 72.42 H new ATOM 0 HG3 ARG A 77 2.143 10.133 0.366 1.00 72.42 H new ATOM 0 HD2 ARG A 77 0.219 11.224 1.455 1.00 35.15 H new ATOM 0 HD3 ARG A 77 1.157 11.472 2.915 1.00 35.15 H new ATOM 0 HE ARG A 77 2.695 12.906 1.396 1.00 61.31 H new ATOM 0 HH11 ARG A 77 -0.733 12.378 0.753 1.00 53.33 H new ATOM 0 HH12 ARG A 77 -0.969 13.974 0.033 1.00 53.33 H new ATOM 0 HH21 ARG A 77 2.377 14.987 0.532 1.00 53.03 H new ATOM 0 HH22 ARG A 77 0.790 15.449 -0.092 1.00 53.03 H new ATOM 1259 N TRP A 78 0.827 6.013 2.300 1.00 64.13 N ATOM 1260 CA TRP A 78 0.250 4.899 3.044 1.00 35.15 C ATOM 1261 C TRP A 78 1.168 3.688 2.983 1.00 74.40 C ATOM 1262 O TRP A 78 1.371 3.006 3.985 1.00 31.15 O ATOM 1263 CB TRP A 78 -1.142 4.549 2.510 1.00 41.44 C ATOM 1264 CG TRP A 78 -2.137 5.648 2.714 1.00 44.54 C ATOM 1265 CD1 TRP A 78 -2.563 6.551 1.786 1.00 43.43 C ATOM 1266 CD2 TRP A 78 -2.823 5.969 3.931 1.00 42.53 C ATOM 1267 NE1 TRP A 78 -3.464 7.419 2.350 1.00 1.24 N ATOM 1268 CE2 TRP A 78 -3.643 7.081 3.666 1.00 44.31 C ATOM 1269 CE3 TRP A 78 -2.821 5.425 5.218 1.00 54.11 C ATOM 1270 CZ2 TRP A 78 -4.451 7.661 4.639 1.00 74.34 C ATOM 1271 CZ3 TRP A 78 -3.624 6.001 6.184 1.00 10.34 C ATOM 1272 CH2 TRP A 78 -4.429 7.107 5.890 1.00 23.10 C ATOM 0 H TRP A 78 0.280 6.306 1.491 1.00 64.13 H new ATOM 0 HA TRP A 78 0.145 5.202 4.086 1.00 35.15 H new ATOM 0 HB2 TRP A 78 -1.071 4.323 1.446 1.00 41.44 H new ATOM 0 HB3 TRP A 78 -1.499 3.646 3.005 1.00 41.44 H new ATOM 0 HD1 TRP A 78 -2.239 6.579 0.756 1.00 43.43 H new ATOM 0 HE1 TRP A 78 -3.925 8.190 1.868 1.00 1.24 H new ATOM 0 HE3 TRP A 78 -2.204 4.571 5.453 1.00 54.11 H new ATOM 0 HZ2 TRP A 78 -5.072 8.516 4.415 1.00 74.34 H new ATOM 0 HZ3 TRP A 78 -3.630 5.590 7.183 1.00 10.34 H new ATOM 0 HH2 TRP A 78 -5.046 7.533 6.667 1.00 23.10 H new ATOM 1283 N LEU A 79 1.728 3.434 1.807 1.00 0.42 N ATOM 1284 CA LEU A 79 2.724 2.386 1.651 1.00 10.24 C ATOM 1285 C LEU A 79 3.910 2.651 2.571 1.00 73.04 C ATOM 1286 O LEU A 79 4.324 1.781 3.334 1.00 72.22 O ATOM 1287 CB LEU A 79 3.203 2.310 0.199 1.00 60.30 C ATOM 1288 CG LEU A 79 2.163 1.822 -0.810 1.00 71.12 C ATOM 1289 CD1 LEU A 79 2.707 1.910 -2.226 1.00 62.00 C ATOM 1290 CD2 LEU A 79 1.746 0.394 -0.489 1.00 23.51 C ATOM 0 H LEU A 79 1.508 3.940 0.949 1.00 0.42 H new ATOM 0 HA LEU A 79 2.266 1.434 1.919 1.00 10.24 H new ATOM 0 HB2 LEU A 79 3.544 3.300 -0.106 1.00 60.30 H new ATOM 0 HB3 LEU A 79 4.067 1.647 0.154 1.00 60.30 H new ATOM 0 HG LEU A 79 1.286 2.466 -0.740 1.00 71.12 H new ATOM 0 HD11 LEU A 79 1.952 1.558 -2.929 1.00 62.00 H new ATOM 0 HD12 LEU A 79 2.961 2.945 -2.455 1.00 62.00 H new ATOM 0 HD13 LEU A 79 3.599 1.290 -2.312 1.00 62.00 H new ATOM 0 HD21 LEU A 79 1.005 0.059 -1.215 1.00 23.51 H new ATOM 0 HD22 LEU A 79 2.618 -0.258 -0.533 1.00 23.51 H new ATOM 0 HD23 LEU A 79 1.316 0.357 0.512 1.00 23.51 H new ATOM 1302 N LYS A 80 4.439 3.867 2.495 1.00 55.55 N ATOM 1303 CA LYS A 80 5.568 4.284 3.303 1.00 11.23 C ATOM 1304 C LYS A 80 5.346 4.008 4.786 1.00 34.23 C ATOM 1305 O LYS A 80 6.100 3.258 5.401 1.00 14.23 O ATOM 1306 CB LYS A 80 5.800 5.777 3.100 1.00 42.23 C ATOM 1307 CG LYS A 80 6.994 6.317 3.855 1.00 2.23 C ATOM 1308 CD LYS A 80 8.283 6.155 3.071 1.00 15.12 C ATOM 1309 CE LYS A 80 8.604 4.705 2.731 1.00 10.02 C ATOM 1310 NZ LYS A 80 9.879 4.582 1.975 1.00 41.02 N ATOM 0 H LYS A 80 4.092 4.591 1.867 1.00 55.55 H new ATOM 0 HA LYS A 80 6.438 3.709 2.985 1.00 11.23 H new ATOM 0 HB2 LYS A 80 5.935 5.973 2.036 1.00 42.23 H new ATOM 0 HB3 LYS A 80 4.908 6.320 3.413 1.00 42.23 H new ATOM 0 HG2 LYS A 80 6.835 7.372 4.078 1.00 2.23 H new ATOM 0 HG3 LYS A 80 7.083 5.800 4.810 1.00 2.23 H new ATOM 0 HD2 LYS A 80 8.213 6.730 2.148 1.00 15.12 H new ATOM 0 HD3 LYS A 80 9.106 6.576 3.648 1.00 15.12 H new ATOM 0 HE2 LYS A 80 8.669 4.122 3.650 1.00 10.02 H new ATOM 0 HE3 LYS A 80 7.790 4.281 2.142 1.00 10.02 H new ATOM 0 HZ1 LYS A 80 10.019 3.592 1.689 1.00 41.02 H new ATOM 0 HZ2 LYS A 80 9.840 5.184 1.128 1.00 41.02 H new ATOM 0 HZ3 LYS A 80 10.671 4.884 2.578 1.00 41.02 H new ATOM 1324 N ARG A 81 4.306 4.611 5.343 1.00 62.34 N ATOM 1325 CA ARG A 81 4.017 4.490 6.772 1.00 32.20 C ATOM 1326 C ARG A 81 3.676 3.053 7.170 1.00 13.43 C ATOM 1327 O ARG A 81 3.935 2.644 8.303 1.00 3.40 O ATOM 1328 CB ARG A 81 2.882 5.441 7.178 1.00 33.54 C ATOM 1329 CG ARG A 81 1.595 5.237 6.396 1.00 42.13 C ATOM 1330 CD ARG A 81 0.547 6.283 6.744 1.00 23.12 C ATOM 1331 NE ARG A 81 1.012 7.647 6.475 1.00 33.31 N ATOM 1332 CZ ARG A 81 0.349 8.525 5.718 1.00 34.34 C ATOM 1333 NH1 ARG A 81 -0.768 8.167 5.100 1.00 32.24 N ATOM 1334 NH2 ARG A 81 0.810 9.761 5.564 1.00 33.14 N ATOM 0 H ARG A 81 3.644 5.192 4.829 1.00 62.34 H new ATOM 0 HA ARG A 81 4.923 4.771 7.308 1.00 32.20 H new ATOM 0 HB2 ARG A 81 2.674 5.310 8.240 1.00 33.54 H new ATOM 0 HB3 ARG A 81 3.218 6.469 7.043 1.00 33.54 H new ATOM 0 HG2 ARG A 81 1.809 5.279 5.328 1.00 42.13 H new ATOM 0 HG3 ARG A 81 1.198 4.243 6.603 1.00 42.13 H new ATOM 0 HD2 ARG A 81 -0.360 6.091 6.170 1.00 23.12 H new ATOM 0 HD3 ARG A 81 0.283 6.193 7.798 1.00 23.12 H new ATOM 0 HE ARG A 81 1.895 7.943 6.891 1.00 33.31 H new ATOM 0 HH11 ARG A 81 -1.125 7.217 5.202 1.00 32.24 H new ATOM 0 HH12 ARG A 81 -1.270 8.842 4.523 1.00 32.24 H new ATOM 0 HH21 ARG A 81 1.675 10.044 6.025 1.00 33.14 H new ATOM 0 HH22 ARG A 81 0.299 10.427 4.985 1.00 33.14 H new ATOM 1348 N MET A 82 3.095 2.291 6.249 1.00 42.34 N ATOM 1349 CA MET A 82 2.754 0.898 6.524 1.00 21.51 C ATOM 1350 C MET A 82 4.012 0.036 6.542 1.00 60.01 C ATOM 1351 O MET A 82 4.240 -0.723 7.488 1.00 4.54 O ATOM 1352 CB MET A 82 1.735 0.377 5.500 1.00 1.15 C ATOM 1353 CG MET A 82 1.218 -1.025 5.796 1.00 62.52 C ATOM 1354 SD MET A 82 2.198 -2.325 5.019 1.00 74.32 S ATOM 1355 CE MET A 82 1.840 -2.023 3.290 1.00 52.41 C ATOM 0 H MET A 82 2.851 2.611 5.312 1.00 42.34 H new ATOM 0 HA MET A 82 2.292 0.840 7.510 1.00 21.51 H new ATOM 0 HB2 MET A 82 0.890 1.064 5.463 1.00 1.15 H new ATOM 0 HB3 MET A 82 2.194 0.382 4.511 1.00 1.15 H new ATOM 0 HG2 MET A 82 1.209 -1.181 6.875 1.00 62.52 H new ATOM 0 HG3 MET A 82 0.186 -1.104 5.454 1.00 62.52 H new ATOM 0 HE1 MET A 82 2.046 -2.925 2.713 1.00 52.41 H new ATOM 0 HE2 MET A 82 0.790 -1.752 3.178 1.00 52.41 H new ATOM 0 HE3 MET A 82 2.466 -1.208 2.926 1.00 52.41 H new ATOM 1365 N PHE A 83 4.845 0.178 5.511 1.00 12.12 N ATOM 1366 CA PHE A 83 6.108 -0.550 5.445 1.00 40.42 C ATOM 1367 C PHE A 83 7.035 -0.112 6.572 1.00 74.15 C ATOM 1368 O PHE A 83 7.804 -0.913 7.098 1.00 21.23 O ATOM 1369 CB PHE A 83 6.806 -0.339 4.096 1.00 41.21 C ATOM 1370 CG PHE A 83 6.097 -0.959 2.924 1.00 13.40 C ATOM 1371 CD1 PHE A 83 5.634 -2.262 2.986 1.00 23.44 C ATOM 1372 CD2 PHE A 83 5.902 -0.239 1.758 1.00 23.44 C ATOM 1373 CE1 PHE A 83 4.986 -2.834 1.907 1.00 54.25 C ATOM 1374 CE2 PHE A 83 5.255 -0.804 0.676 1.00 42.55 C ATOM 1375 CZ PHE A 83 4.798 -2.104 0.751 1.00 44.52 C ATOM 0 H PHE A 83 4.667 0.789 4.714 1.00 12.12 H new ATOM 0 HA PHE A 83 5.881 -1.610 5.554 1.00 40.42 H new ATOM 0 HB2 PHE A 83 6.909 0.731 3.918 1.00 41.21 H new ATOM 0 HB3 PHE A 83 7.814 -0.750 4.154 1.00 41.21 H new ATOM 0 HD1 PHE A 83 5.781 -2.838 3.888 1.00 23.44 H new ATOM 0 HD2 PHE A 83 6.260 0.778 1.693 1.00 23.44 H new ATOM 0 HE1 PHE A 83 4.627 -3.851 1.969 1.00 54.25 H new ATOM 0 HE2 PHE A 83 5.107 -0.230 -0.227 1.00 42.55 H new ATOM 0 HZ PHE A 83 4.294 -2.550 -0.094 1.00 44.52 H new ATOM 1385 N ASN A 84 6.955 1.166 6.935 1.00 11.40 N ATOM 1386 CA ASN A 84 7.746 1.712 8.036 1.00 55.44 C ATOM 1387 C ASN A 84 7.441 0.972 9.329 1.00 12.22 C ATOM 1388 O ASN A 84 8.347 0.653 10.096 1.00 74.10 O ATOM 1389 CB ASN A 84 7.470 3.213 8.211 1.00 53.52 C ATOM 1390 CG ASN A 84 8.096 3.787 9.470 1.00 62.21 C ATOM 1391 OD1 ASN A 84 9.258 4.193 9.473 1.00 22.22 O ATOM 1392 ND2 ASN A 84 7.317 3.852 10.541 1.00 64.44 N ATOM 0 H ASN A 84 6.347 1.847 6.480 1.00 11.40 H new ATOM 0 HA ASN A 84 8.801 1.578 7.795 1.00 55.44 H new ATOM 0 HB2 ASN A 84 7.852 3.751 7.344 1.00 53.52 H new ATOM 0 HB3 ASN A 84 6.393 3.378 8.239 1.00 53.52 H new ATOM 0 HD21 ASN A 84 7.676 4.250 11.409 1.00 64.44 H new ATOM 0 HD22 ASN A 84 6.359 3.504 10.497 1.00 64.44 H new ATOM 1399 N TYR A 85 6.165 0.683 9.551 1.00 31.42 N ATOM 1400 CA TYR A 85 5.738 -0.033 10.744 1.00 12.32 C ATOM 1401 C TYR A 85 6.305 -1.450 10.745 1.00 12.50 C ATOM 1402 O TYR A 85 6.656 -1.991 11.793 1.00 54.15 O ATOM 1403 CB TYR A 85 4.209 -0.066 10.824 1.00 2.42 C ATOM 1404 CG TYR A 85 3.674 -0.717 12.082 1.00 12.01 C ATOM 1405 CD1 TYR A 85 3.768 -0.073 13.309 1.00 31.13 C ATOM 1406 CD2 TYR A 85 3.082 -1.975 12.043 1.00 53.32 C ATOM 1407 CE1 TYR A 85 3.289 -0.662 14.461 1.00 41.12 C ATOM 1408 CE2 TYR A 85 2.602 -2.571 13.193 1.00 60.54 C ATOM 1409 CZ TYR A 85 2.707 -1.909 14.398 1.00 42.24 C ATOM 1410 OH TYR A 85 2.235 -2.499 15.546 1.00 71.50 O ATOM 0 H TYR A 85 5.406 0.935 8.918 1.00 31.42 H new ATOM 0 HA TYR A 85 6.119 0.491 11.621 1.00 12.32 H new ATOM 0 HB2 TYR A 85 3.830 0.954 10.765 1.00 2.42 H new ATOM 0 HB3 TYR A 85 3.821 -0.601 9.957 1.00 2.42 H new ATOM 0 HD1 TYR A 85 4.223 0.905 13.362 1.00 31.13 H new ATOM 0 HD2 TYR A 85 2.996 -2.494 11.100 1.00 53.32 H new ATOM 0 HE1 TYR A 85 3.370 -0.148 15.407 1.00 41.12 H new ATOM 0 HE2 TYR A 85 2.147 -3.550 13.149 1.00 60.54 H new ATOM 0 HH TYR A 85 1.481 -3.085 15.326 1.00 71.50 H new ATOM 1420 N ALA A 86 6.409 -2.037 9.559 1.00 43.54 N ATOM 1421 CA ALA A 86 6.948 -3.381 9.416 1.00 61.21 C ATOM 1422 C ALA A 86 8.462 -3.390 9.614 1.00 21.11 C ATOM 1423 O ALA A 86 9.007 -4.322 10.197 1.00 54.24 O ATOM 1424 CB ALA A 86 6.590 -3.955 8.055 1.00 42.43 C ATOM 0 H ALA A 86 6.126 -1.601 8.681 1.00 43.54 H new ATOM 0 HA ALA A 86 6.501 -4.006 10.189 1.00 61.21 H new ATOM 0 HB1 ALA A 86 7.001 -4.961 7.965 1.00 42.43 H new ATOM 0 HB2 ALA A 86 5.506 -3.995 7.951 1.00 42.43 H new ATOM 0 HB3 ALA A 86 7.006 -3.321 7.272 1.00 42.43 H new ATOM 1430 N ILE A 87 9.136 -2.355 9.124 1.00 13.23 N ATOM 1431 CA ILE A 87 10.583 -2.231 9.299 1.00 23.13 C ATOM 1432 C ILE A 87 10.915 -1.943 10.760 1.00 33.24 C ATOM 1433 O ILE A 87 11.872 -2.485 11.312 1.00 75.25 O ATOM 1434 CB ILE A 87 11.174 -1.116 8.403 1.00 5.31 C ATOM 1435 CG1 ILE A 87 10.871 -1.403 6.929 1.00 72.21 C ATOM 1436 CG2 ILE A 87 12.678 -0.993 8.621 1.00 52.25 C ATOM 1437 CD1 ILE A 87 11.352 -0.322 5.986 1.00 3.25 C ATOM 0 H ILE A 87 8.707 -1.590 8.603 1.00 13.23 H new ATOM 0 HA ILE A 87 11.031 -3.179 9.001 1.00 23.13 H new ATOM 0 HB ILE A 87 10.709 -0.170 8.678 1.00 5.31 H new ATOM 0 HG12 ILE A 87 11.335 -2.349 6.650 1.00 72.21 H new ATOM 0 HG13 ILE A 87 9.795 -1.527 6.806 1.00 72.21 H new ATOM 0 HG21 ILE A 87 13.075 -0.204 7.982 1.00 52.25 H new ATOM 0 HG22 ILE A 87 12.876 -0.749 9.665 1.00 52.25 H new ATOM 0 HG23 ILE A 87 13.160 -1.938 8.372 1.00 52.25 H new ATOM 0 HD11 ILE A 87 11.102 -0.596 4.961 1.00 3.25 H new ATOM 0 HD12 ILE A 87 10.869 0.622 6.238 1.00 3.25 H new ATOM 0 HD13 ILE A 87 12.433 -0.213 6.079 1.00 3.25 H new ATOM 1449 N LYS A 88 10.099 -1.098 11.377 1.00 33.35 N ATOM 1450 CA LYS A 88 10.227 -0.778 12.794 1.00 42.22 C ATOM 1451 C LYS A 88 9.995 -2.021 13.656 1.00 3.13 C ATOM 1452 O LYS A 88 10.653 -2.220 14.678 1.00 23.30 O ATOM 1453 CB LYS A 88 9.237 0.350 13.137 1.00 2.25 C ATOM 1454 CG LYS A 88 8.890 0.493 14.610 1.00 72.20 C ATOM 1455 CD LYS A 88 7.655 -0.319 14.967 1.00 12.42 C ATOM 1456 CE LYS A 88 7.174 -0.017 16.372 1.00 71.44 C ATOM 1457 NZ LYS A 88 8.149 -0.443 17.408 1.00 13.11 N ATOM 0 H LYS A 88 9.331 -0.616 10.911 1.00 33.35 H new ATOM 0 HA LYS A 88 11.239 -0.435 13.007 1.00 42.22 H new ATOM 0 HB2 LYS A 88 9.654 1.294 12.787 1.00 2.25 H new ATOM 0 HB3 LYS A 88 8.315 0.182 12.580 1.00 2.25 H new ATOM 0 HG2 LYS A 88 9.733 0.164 15.218 1.00 72.20 H new ATOM 0 HG3 LYS A 88 8.718 1.543 14.845 1.00 72.20 H new ATOM 0 HD2 LYS A 88 6.859 -0.103 14.255 1.00 12.42 H new ATOM 0 HD3 LYS A 88 7.880 -1.382 14.880 1.00 12.42 H new ATOM 0 HE2 LYS A 88 6.990 1.053 16.468 1.00 71.44 H new ATOM 0 HE3 LYS A 88 6.223 -0.520 16.543 1.00 71.44 H new ATOM 0 HZ1 LYS A 88 7.767 -0.231 18.352 1.00 13.11 H new ATOM 0 HZ2 LYS A 88 8.319 -1.466 17.325 1.00 13.11 H new ATOM 0 HZ3 LYS A 88 9.044 0.069 17.273 1.00 13.11 H new ATOM 1471 N ARG A 89 9.047 -2.850 13.239 1.00 63.20 N ATOM 1472 CA ARG A 89 8.763 -4.109 13.920 1.00 63.20 C ATOM 1473 C ARG A 89 9.759 -5.192 13.480 1.00 43.42 C ATOM 1474 O ARG A 89 9.704 -6.332 13.943 1.00 3.12 O ATOM 1475 CB ARG A 89 7.323 -4.534 13.620 1.00 65.43 C ATOM 1476 CG ARG A 89 6.731 -5.503 14.629 1.00 4.35 C ATOM 1477 CD ARG A 89 5.248 -5.720 14.370 1.00 33.11 C ATOM 1478 NE ARG A 89 4.619 -6.576 15.376 1.00 52.55 N ATOM 1479 CZ ARG A 89 3.380 -6.395 15.839 1.00 51.32 C ATOM 1480 NH1 ARG A 89 2.657 -5.363 15.417 1.00 64.15 N ATOM 1481 NH2 ARG A 89 2.865 -7.237 16.730 1.00 63.35 N ATOM 0 H ARG A 89 8.457 -2.672 12.426 1.00 63.20 H new ATOM 0 HA ARG A 89 8.873 -3.973 14.996 1.00 63.20 H new ATOM 0 HB2 ARG A 89 6.696 -3.644 13.578 1.00 65.43 H new ATOM 0 HB3 ARG A 89 7.291 -4.993 12.632 1.00 65.43 H new ATOM 0 HG2 ARG A 89 7.257 -6.456 14.575 1.00 4.35 H new ATOM 0 HG3 ARG A 89 6.875 -5.116 15.638 1.00 4.35 H new ATOM 0 HD2 ARG A 89 4.741 -4.755 14.352 1.00 33.11 H new ATOM 0 HD3 ARG A 89 5.117 -6.167 13.385 1.00 33.11 H new ATOM 0 HE ARG A 89 5.160 -7.358 15.746 1.00 52.55 H new ATOM 0 HH11 ARG A 89 3.049 -4.709 14.739 1.00 64.15 H new ATOM 0 HH12 ARG A 89 1.710 -5.225 15.771 1.00 64.15 H new ATOM 0 HH21 ARG A 89 3.417 -8.027 17.064 1.00 63.35 H new ATOM 0 HH22 ARG A 89 1.918 -7.093 17.080 1.00 63.35 H new ATOM 1495 N HIS A 90 10.668 -4.804 12.580 1.00 51.31 N ATOM 1496 CA HIS A 90 11.731 -5.675 12.064 1.00 73.34 C ATOM 1497 C HIS A 90 11.156 -6.930 11.401 1.00 34.21 C ATOM 1498 O HIS A 90 11.693 -8.032 11.533 1.00 32.43 O ATOM 1499 CB HIS A 90 12.719 -6.048 13.178 1.00 72.15 C ATOM 1500 CG HIS A 90 14.019 -6.599 12.664 1.00 72.25 C ATOM 1501 ND1 HIS A 90 14.481 -7.862 12.968 1.00 71.23 N ATOM 1502 CD2 HIS A 90 14.958 -6.045 11.857 1.00 31.43 C ATOM 1503 CE1 HIS A 90 15.641 -8.061 12.373 1.00 42.42 C ATOM 1504 NE2 HIS A 90 15.952 -6.976 11.693 1.00 21.22 N ATOM 0 H HIS A 90 10.687 -3.864 12.184 1.00 51.31 H new ATOM 0 HA HIS A 90 12.272 -5.118 11.299 1.00 73.34 H new ATOM 0 HB2 HIS A 90 12.922 -5.165 13.784 1.00 72.15 H new ATOM 0 HB3 HIS A 90 12.255 -6.785 13.833 1.00 72.15 H new ATOM 0 HD2 HIS A 90 14.929 -5.056 11.424 1.00 31.43 H new ATOM 0 HE1 HIS A 90 16.235 -8.961 12.433 1.00 42.42 H new ATOM 0 HE2 HIS A 90 16.796 -6.849 11.135 1.00 21.22 H new ATOM 1513 N ILE A 91 10.074 -6.746 10.664 1.00 42.02 N ATOM 1514 CA ILE A 91 9.458 -7.835 9.924 1.00 55.44 C ATOM 1515 C ILE A 91 10.118 -7.971 8.560 1.00 73.42 C ATOM 1516 O ILE A 91 10.516 -9.060 8.150 1.00 75.21 O ATOM 1517 CB ILE A 91 7.949 -7.593 9.731 1.00 21.25 C ATOM 1518 CG1 ILE A 91 7.288 -7.329 11.081 1.00 51.14 C ATOM 1519 CG2 ILE A 91 7.301 -8.787 9.041 1.00 43.31 C ATOM 1520 CD1 ILE A 91 5.851 -6.877 10.969 1.00 51.41 C ATOM 0 H ILE A 91 9.602 -5.848 10.562 1.00 42.02 H new ATOM 0 HA ILE A 91 9.595 -8.751 10.499 1.00 55.44 H new ATOM 0 HB ILE A 91 7.811 -6.718 9.096 1.00 21.25 H new ATOM 0 HG12 ILE A 91 7.329 -8.238 11.681 1.00 51.14 H new ATOM 0 HG13 ILE A 91 7.859 -6.569 11.614 1.00 51.14 H new ATOM 0 HG21 ILE A 91 6.235 -8.599 8.913 1.00 43.31 H new ATOM 0 HG22 ILE A 91 7.763 -8.938 8.065 1.00 43.31 H new ATOM 0 HG23 ILE A 91 7.441 -9.680 9.651 1.00 43.31 H new ATOM 0 HD11 ILE A 91 5.444 -6.708 11.966 1.00 51.41 H new ATOM 0 HD12 ILE A 91 5.804 -5.951 10.396 1.00 51.41 H new ATOM 0 HD13 ILE A 91 5.266 -7.646 10.464 1.00 51.41 H new ATOM 1532 N ILE A 92 10.229 -6.846 7.866 1.00 52.21 N ATOM 1533 CA ILE A 92 10.870 -6.800 6.560 1.00 65.11 C ATOM 1534 C ILE A 92 11.757 -5.568 6.463 1.00 34.34 C ATOM 1535 O ILE A 92 11.503 -4.563 7.125 1.00 30.24 O ATOM 1536 CB ILE A 92 9.837 -6.797 5.398 1.00 10.33 C ATOM 1537 CG1 ILE A 92 8.778 -5.702 5.591 1.00 64.33 C ATOM 1538 CG2 ILE A 92 9.173 -8.158 5.266 1.00 52.31 C ATOM 1539 CD1 ILE A 92 9.165 -4.352 5.016 1.00 43.22 C ATOM 0 H ILE A 92 9.879 -5.945 8.191 1.00 52.21 H new ATOM 0 HA ILE A 92 11.473 -7.702 6.460 1.00 65.11 H new ATOM 0 HB ILE A 92 10.378 -6.581 4.477 1.00 10.33 H new ATOM 0 HG12 ILE A 92 7.847 -6.028 5.128 1.00 64.33 H new ATOM 0 HG13 ILE A 92 8.581 -5.587 6.657 1.00 64.33 H new ATOM 0 HG21 ILE A 92 8.454 -8.134 4.447 1.00 52.31 H new ATOM 0 HG22 ILE A 92 9.931 -8.914 5.061 1.00 52.31 H new ATOM 0 HG23 ILE A 92 8.657 -8.403 6.195 1.00 52.31 H new ATOM 0 HD11 ILE A 92 8.362 -3.637 5.195 1.00 43.22 H new ATOM 0 HD12 ILE A 92 10.078 -4.000 5.496 1.00 43.22 H new ATOM 0 HD13 ILE A 92 9.333 -4.448 3.943 1.00 43.22 H new ATOM 1551 N GLU A 93 12.802 -5.654 5.656 1.00 72.41 N ATOM 1552 CA GLU A 93 13.697 -4.524 5.450 1.00 13.43 C ATOM 1553 C GLU A 93 13.796 -4.187 3.966 1.00 20.33 C ATOM 1554 O GLU A 93 14.737 -3.531 3.526 1.00 32.32 O ATOM 1555 CB GLU A 93 15.080 -4.836 6.022 1.00 32.44 C ATOM 1556 CG GLU A 93 15.068 -5.100 7.520 1.00 25.14 C ATOM 1557 CD GLU A 93 16.440 -5.415 8.067 1.00 74.01 C ATOM 1558 OE1 GLU A 93 16.858 -6.585 7.995 1.00 43.40 O ATOM 1559 OE2 GLU A 93 17.112 -4.490 8.570 1.00 51.00 O ATOM 0 H GLU A 93 13.052 -6.493 5.133 1.00 72.41 H new ATOM 0 HA GLU A 93 13.292 -3.657 5.972 1.00 13.43 H new ATOM 0 HB2 GLU A 93 15.489 -5.707 5.510 1.00 32.44 H new ATOM 0 HB3 GLU A 93 15.748 -4.001 5.813 1.00 32.44 H new ATOM 0 HG2 GLU A 93 14.667 -4.227 8.035 1.00 25.14 H new ATOM 0 HG3 GLU A 93 14.397 -5.932 7.733 1.00 25.14 H new ATOM 1566 N TYR A 94 12.807 -4.637 3.204 1.00 32.24 N ATOM 1567 CA TYR A 94 12.772 -4.395 1.767 1.00 4.44 C ATOM 1568 C TYR A 94 12.286 -2.987 1.448 1.00 42.52 C ATOM 1569 O TYR A 94 13.003 -2.207 0.824 1.00 11.53 O ATOM 1570 CB TYR A 94 11.862 -5.414 1.075 1.00 22.03 C ATOM 1571 CG TYR A 94 12.489 -6.772 0.879 1.00 2.12 C ATOM 1572 CD1 TYR A 94 12.475 -7.726 1.887 1.00 40.51 C ATOM 1573 CD2 TYR A 94 13.099 -7.097 -0.323 1.00 52.51 C ATOM 1574 CE1 TYR A 94 13.050 -8.969 1.699 1.00 20.20 C ATOM 1575 CE2 TYR A 94 13.674 -8.335 -0.520 1.00 71.15 C ATOM 1576 CZ TYR A 94 13.651 -9.267 0.493 1.00 51.22 C ATOM 1577 OH TYR A 94 14.230 -10.500 0.295 1.00 31.35 O ATOM 0 H TYR A 94 12.015 -5.174 3.559 1.00 32.24 H new ATOM 0 HA TYR A 94 13.791 -4.501 1.395 1.00 4.44 H new ATOM 0 HB2 TYR A 94 10.951 -5.528 1.663 1.00 22.03 H new ATOM 0 HB3 TYR A 94 11.567 -5.019 0.103 1.00 22.03 H new ATOM 0 HD1 TYR A 94 12.008 -7.494 2.833 1.00 40.51 H new ATOM 0 HD2 TYR A 94 13.124 -6.368 -1.119 1.00 52.51 H new ATOM 0 HE1 TYR A 94 13.029 -9.703 2.491 1.00 20.20 H new ATOM 0 HE2 TYR A 94 14.140 -8.572 -1.465 1.00 71.15 H new ATOM 0 HH TYR A 94 14.606 -10.543 -0.609 1.00 31.35 H new ATOM 1587 N ASN A 95 11.070 -2.672 1.899 1.00 13.22 N ATOM 1588 CA ASN A 95 10.393 -1.423 1.545 1.00 31.12 C ATOM 1589 C ASN A 95 10.255 -1.316 0.025 1.00 24.24 C ATOM 1590 O ASN A 95 10.998 -0.588 -0.629 1.00 53.24 O ATOM 1591 CB ASN A 95 11.137 -0.201 2.101 1.00 12.32 C ATOM 1592 CG ASN A 95 10.229 1.006 2.249 1.00 64.11 C ATOM 1593 OD1 ASN A 95 10.047 1.796 1.322 1.00 3.21 O ATOM 1594 ND2 ASN A 95 9.662 1.161 3.435 1.00 25.13 N ATOM 0 H ASN A 95 10.528 -3.274 2.519 1.00 13.22 H new ATOM 0 HA ASN A 95 9.401 -1.438 1.996 1.00 31.12 H new ATOM 0 HB2 ASN A 95 11.568 -0.450 3.071 1.00 12.32 H new ATOM 0 HB3 ASN A 95 11.966 0.049 1.439 1.00 12.32 H new ATOM 0 HD21 ASN A 95 9.049 1.958 3.607 1.00 25.13 H new ATOM 0 HD22 ASN A 95 9.838 0.484 4.177 1.00 25.13 H new ATOM 1601 N PRO A 96 9.296 -2.059 -0.557 1.00 1.31 N ATOM 1602 CA PRO A 96 9.119 -2.141 -2.016 1.00 44.43 C ATOM 1603 C PRO A 96 8.692 -0.809 -2.629 1.00 63.32 C ATOM 1604 O PRO A 96 8.726 -0.633 -3.848 1.00 13.44 O ATOM 1605 CB PRO A 96 8.014 -3.193 -2.201 1.00 10.11 C ATOM 1606 CG PRO A 96 7.886 -3.874 -0.879 1.00 73.31 C ATOM 1607 CD PRO A 96 8.306 -2.875 0.155 1.00 5.14 C ATOM 0 HA PRO A 96 10.053 -2.400 -2.515 1.00 44.43 H new ATOM 0 HB2 PRO A 96 7.074 -2.727 -2.495 1.00 10.11 H new ATOM 0 HB3 PRO A 96 8.276 -3.904 -2.985 1.00 10.11 H new ATOM 0 HG2 PRO A 96 6.860 -4.201 -0.709 1.00 73.31 H new ATOM 0 HG3 PRO A 96 8.515 -4.763 -0.838 1.00 73.31 H new ATOM 0 HD2 PRO A 96 7.464 -2.276 0.503 1.00 5.14 H new ATOM 0 HD3 PRO A 96 8.737 -3.359 1.032 1.00 5.14 H new ATOM 1615 N ALA A 97 8.305 0.130 -1.773 1.00 11.20 N ATOM 1616 CA ALA A 97 7.883 1.451 -2.216 1.00 11.44 C ATOM 1617 C ALA A 97 9.087 2.325 -2.545 1.00 12.02 C ATOM 1618 O ALA A 97 8.933 3.468 -2.971 1.00 70.33 O ATOM 1619 CB ALA A 97 7.019 2.113 -1.153 1.00 14.54 C ATOM 0 H ALA A 97 8.275 -0.002 -0.762 1.00 11.20 H new ATOM 0 HA ALA A 97 7.292 1.334 -3.124 1.00 11.44 H new ATOM 0 HB1 ALA A 97 6.711 3.100 -1.498 1.00 14.54 H new ATOM 0 HB2 ALA A 97 6.136 1.501 -0.969 1.00 14.54 H new ATOM 0 HB3 ALA A 97 7.590 2.213 -0.230 1.00 14.54 H new ATOM 1625 N ALA A 98 10.284 1.772 -2.359 1.00 11.33 N ATOM 1626 CA ALA A 98 11.521 2.488 -2.648 1.00 71.23 C ATOM 1627 C ALA A 98 11.664 2.771 -4.141 1.00 43.11 C ATOM 1628 O ALA A 98 12.470 3.608 -4.542 1.00 11.14 O ATOM 1629 CB ALA A 98 12.721 1.699 -2.147 1.00 52.22 C ATOM 0 H ALA A 98 10.422 0.825 -2.007 1.00 11.33 H new ATOM 0 HA ALA A 98 11.481 3.444 -2.126 1.00 71.23 H new ATOM 0 HB1 ALA A 98 13.636 2.247 -2.371 1.00 52.22 H new ATOM 0 HB2 ALA A 98 12.638 1.556 -1.070 1.00 52.22 H new ATOM 0 HB3 ALA A 98 12.750 0.728 -2.641 1.00 52.22 H new ATOM 1635 N ALA A 99 10.884 2.063 -4.956 1.00 54.44 N ATOM 1636 CA ALA A 99 10.886 2.279 -6.399 1.00 22.24 C ATOM 1637 C ALA A 99 10.476 3.712 -6.726 1.00 52.41 C ATOM 1638 O ALA A 99 11.034 4.344 -7.622 1.00 21.13 O ATOM 1639 CB ALA A 99 9.954 1.287 -7.081 1.00 44.03 C ATOM 0 H ALA A 99 10.243 1.335 -4.640 1.00 54.44 H new ATOM 0 HA ALA A 99 11.897 2.119 -6.773 1.00 22.24 H new ATOM 0 HB1 ALA A 99 9.965 1.459 -8.157 1.00 44.03 H new ATOM 0 HB2 ALA A 99 10.289 0.271 -6.872 1.00 44.03 H new ATOM 0 HB3 ALA A 99 8.941 1.420 -6.702 1.00 44.03 H new ATOM 1645 N PHE A 100 9.503 4.217 -5.983 1.00 43.23 N ATOM 1646 CA PHE A 100 9.066 5.597 -6.109 1.00 71.11 C ATOM 1647 C PHE A 100 8.788 6.165 -4.730 1.00 40.13 C ATOM 1648 O PHE A 100 7.640 6.266 -4.303 1.00 24.44 O ATOM 1649 CB PHE A 100 7.818 5.715 -6.992 1.00 34.43 C ATOM 1650 CG PHE A 100 8.086 5.515 -8.459 1.00 3.30 C ATOM 1651 CD1 PHE A 100 8.562 6.558 -9.235 1.00 52.22 C ATOM 1652 CD2 PHE A 100 7.860 4.288 -9.062 1.00 42.12 C ATOM 1653 CE1 PHE A 100 8.811 6.382 -10.583 1.00 41.53 C ATOM 1654 CE2 PHE A 100 8.106 4.105 -10.410 1.00 2.41 C ATOM 1655 CZ PHE A 100 8.582 5.155 -11.171 1.00 52.54 C ATOM 0 H PHE A 100 8.996 3.682 -5.278 1.00 43.23 H new ATOM 0 HA PHE A 100 9.862 6.167 -6.589 1.00 71.11 H new ATOM 0 HB2 PHE A 100 7.082 4.981 -6.664 1.00 34.43 H new ATOM 0 HB3 PHE A 100 7.373 6.699 -6.845 1.00 34.43 H new ATOM 0 HD1 PHE A 100 8.741 7.522 -8.781 1.00 52.22 H new ATOM 0 HD2 PHE A 100 7.487 3.464 -8.471 1.00 42.12 H new ATOM 0 HE1 PHE A 100 9.184 7.204 -11.176 1.00 41.53 H new ATOM 0 HE2 PHE A 100 7.926 3.143 -10.867 1.00 2.41 H new ATOM 0 HZ PHE A 100 8.775 5.016 -12.225 1.00 52.54 H new