USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 714 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 46 SER OG : rot 180:sc= -0.0813 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -3.18! C(o=-3.8!,f=-12!) USER MOD Set 1.3: A 65 ASN : amide:sc= -1.79! C(o=-3.8!,f=-11!) USER MOD Set 1.4: A 68 ASN : amide:sc= 0 X(o=-3.8,f=-3.8) USER MOD Set 1.5: A 70 THR OG1 : rot 112:sc= 1.3 USER MOD Set 2.1: A 66 SER OG : rot 180:sc=0.000106 USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 TYR OH : rot -152:sc= 0.0115 USER MOD Set 3.2: A 28 ASN : amide:sc= 0.117 X(o=0.13,f=0) USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 22 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 7 THR OG1 : rot 37:sc= 0.0286 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.132 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 37 GLN : amide:sc= 0.238 K(o=0.24,f=-0.38) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 71 THR OG1 : rot -90:sc= -1.02 USER MOD Single : A 73 ASN : amide:sc= 0.635 K(o=0.64,f=-0.15) USER MOD Single : A 74 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.5) USER MOD Single : A 78 GLN : amide:sc=-0.00919 K(o=-0.0092,f=-0.83) USER MOD Single : A 81 GLN : amide:sc= -0.131 K(o=-0.13,f=-3.3!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 76:sc= 0.0475 USER MOD Single : A 99 MET CE :methyl 160:sc= -0.248 (180deg=-0.906) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.573 -8.693 1.939 1.00 52.13 N ATOM 63 CA THR A 7 -4.297 -7.491 2.653 1.00 64.44 C ATOM 64 C THR A 7 -4.286 -6.313 1.683 1.00 72.25 C ATOM 65 O THR A 7 -3.538 -6.307 0.710 1.00 71.24 O ATOM 66 CB THR A 7 -2.944 -7.591 3.395 1.00 31.23 C ATOM 67 OG1 THR A 7 -3.031 -8.615 4.405 1.00 34.23 O ATOM 68 CG2 THR A 7 -2.554 -6.264 4.034 1.00 12.10 C ATOM 0 HA THR A 7 -5.078 -7.337 3.398 1.00 64.44 H new ATOM 0 HB THR A 7 -2.173 -7.846 2.668 1.00 31.23 H new ATOM 0 HG1 THR A 7 -3.583 -9.354 4.075 1.00 34.23 H new ATOM 0 HG21 THR A 7 -1.598 -6.374 4.546 1.00 12.10 H new ATOM 0 HG22 THR A 7 -2.466 -5.500 3.261 1.00 12.10 H new ATOM 0 HG23 THR A 7 -3.318 -5.968 4.752 1.00 12.10 H new ATOM 76 N SER A 8 -5.138 -5.364 1.927 1.00 13.34 N ATOM 77 CA SER A 8 -5.184 -4.173 1.138 1.00 35.24 C ATOM 78 C SER A 8 -4.755 -2.987 1.976 1.00 23.15 C ATOM 79 O SER A 8 -5.232 -2.799 3.096 1.00 51.45 O ATOM 80 CB SER A 8 -6.580 -3.953 0.548 1.00 4.30 C ATOM 81 OG SER A 8 -6.909 -4.981 -0.378 1.00 2.13 O ATOM 0 H SER A 8 -5.823 -5.395 2.682 1.00 13.34 H new ATOM 0 HA SER A 8 -4.492 -4.282 0.302 1.00 35.24 H new ATOM 0 HB2 SER A 8 -7.318 -3.931 1.350 1.00 4.30 H new ATOM 0 HB3 SER A 8 -6.620 -2.984 0.051 1.00 4.30 H new ATOM 0 HG SER A 8 -7.805 -4.820 -0.740 1.00 2.13 H new ATOM 87 N VAL A 9 -3.828 -2.235 1.472 1.00 75.43 N ATOM 88 CA VAL A 9 -3.379 -1.058 2.143 1.00 13.13 C ATOM 89 C VAL A 9 -3.983 0.165 1.460 1.00 73.13 C ATOM 90 O VAL A 9 -3.864 0.349 0.229 1.00 41.31 O ATOM 91 CB VAL A 9 -1.823 -1.001 2.248 1.00 52.24 C ATOM 92 CG1 VAL A 9 -1.172 -1.213 0.904 1.00 63.51 C ATOM 93 CG2 VAL A 9 -1.354 0.305 2.879 1.00 74.04 C ATOM 0 H VAL A 9 -3.362 -2.420 0.584 1.00 75.43 H new ATOM 0 HA VAL A 9 -3.727 -1.075 3.176 1.00 13.13 H new ATOM 0 HB VAL A 9 -1.514 -1.817 2.901 1.00 52.24 H new ATOM 0 HG11 VAL A 9 -0.088 -1.167 1.013 1.00 63.51 H new ATOM 0 HG12 VAL A 9 -1.456 -2.190 0.512 1.00 63.51 H new ATOM 0 HG13 VAL A 9 -1.500 -0.436 0.214 1.00 63.51 H new ATOM 0 HG21 VAL A 9 -0.266 0.311 2.937 1.00 74.04 H new ATOM 0 HG22 VAL A 9 -1.690 1.144 2.270 1.00 74.04 H new ATOM 0 HG23 VAL A 9 -1.771 0.395 3.882 1.00 74.04 H new ATOM 103 N THR A 10 -4.647 0.958 2.234 1.00 0.32 N ATOM 104 CA THR A 10 -5.385 2.063 1.731 1.00 11.22 C ATOM 105 C THR A 10 -4.951 3.338 2.451 1.00 3.35 C ATOM 106 O THR A 10 -4.765 3.341 3.680 1.00 71.12 O ATOM 107 CB THR A 10 -6.896 1.811 1.959 1.00 62.51 C ATOM 108 OG1 THR A 10 -7.241 0.489 1.492 1.00 71.42 O ATOM 109 CG2 THR A 10 -7.739 2.830 1.208 1.00 24.42 C ATOM 0 H THR A 10 -4.691 0.853 3.248 1.00 0.32 H new ATOM 0 HA THR A 10 -5.196 2.179 0.664 1.00 11.22 H new ATOM 0 HB THR A 10 -7.098 1.903 3.026 1.00 62.51 H new ATOM 0 HG1 THR A 10 -8.197 0.330 1.638 1.00 71.42 H new ATOM 0 HG21 THR A 10 -8.796 2.630 1.386 1.00 24.42 H new ATOM 0 HG22 THR A 10 -7.496 3.833 1.559 1.00 24.42 H new ATOM 0 HG23 THR A 10 -7.531 2.759 0.140 1.00 24.42 H new ATOM 117 N LEU A 11 -4.743 4.380 1.693 1.00 1.14 N ATOM 118 CA LEU A 11 -4.367 5.660 2.231 1.00 73.21 C ATOM 119 C LEU A 11 -5.613 6.471 2.430 1.00 65.05 C ATOM 120 O LEU A 11 -6.474 6.493 1.563 1.00 22.21 O ATOM 121 CB LEU A 11 -3.465 6.392 1.253 1.00 60.23 C ATOM 122 CG LEU A 11 -2.273 5.614 0.747 1.00 41.12 C ATOM 123 CD1 LEU A 11 -1.497 6.434 -0.270 1.00 22.42 C ATOM 124 CD2 LEU A 11 -1.365 5.171 1.889 1.00 4.52 C ATOM 0 H LEU A 11 -4.830 4.365 0.677 1.00 1.14 H new ATOM 0 HA LEU A 11 -3.837 5.519 3.173 1.00 73.21 H new ATOM 0 HB2 LEU A 11 -4.064 6.700 0.396 1.00 60.23 H new ATOM 0 HB3 LEU A 11 -3.104 7.302 1.733 1.00 60.23 H new ATOM 0 HG LEU A 11 -2.647 4.714 0.259 1.00 41.12 H new ATOM 0 HD11 LEU A 11 -0.642 5.859 -0.624 1.00 22.42 H new ATOM 0 HD12 LEU A 11 -2.145 6.677 -1.112 1.00 22.42 H new ATOM 0 HD13 LEU A 11 -1.147 7.355 0.196 1.00 22.42 H new ATOM 0 HD21 LEU A 11 -0.519 4.614 1.486 1.00 4.52 H new ATOM 0 HD22 LEU A 11 -1.001 6.047 2.425 1.00 4.52 H new ATOM 0 HD23 LEU A 11 -1.925 4.534 2.573 1.00 4.52 H new ATOM 136 N GLN A 12 -5.714 7.103 3.541 1.00 34.33 N ATOM 137 CA GLN A 12 -6.857 7.924 3.850 1.00 15.52 C ATOM 138 C GLN A 12 -6.432 9.370 3.963 1.00 2.21 C ATOM 139 O GLN A 12 -5.522 9.699 4.732 1.00 24.41 O ATOM 140 CB GLN A 12 -7.492 7.505 5.158 1.00 65.44 C ATOM 141 CG GLN A 12 -8.836 8.175 5.409 1.00 54.20 C ATOM 142 CD GLN A 12 -9.365 7.913 6.786 1.00 21.52 C ATOM 143 OE1 GLN A 12 -10.079 6.946 7.022 1.00 52.22 O ATOM 144 NE2 GLN A 12 -9.022 8.771 7.699 1.00 12.23 N ATOM 0 H GLN A 12 -5.008 7.074 4.276 1.00 34.33 H new ATOM 0 HA GLN A 12 -7.583 7.802 3.046 1.00 15.52 H new ATOM 0 HB2 GLN A 12 -7.626 6.423 5.160 1.00 65.44 H new ATOM 0 HB3 GLN A 12 -6.814 7.744 5.978 1.00 65.44 H new ATOM 0 HG2 GLN A 12 -8.734 9.250 5.262 1.00 54.20 H new ATOM 0 HG3 GLN A 12 -9.558 7.819 4.673 1.00 54.20 H new ATOM 0 HE21 GLN A 12 -8.425 9.562 7.457 1.00 12.23 H new ATOM 0 HE22 GLN A 12 -9.349 8.654 8.658 1.00 12.23 H new ATOM 153 N LEU A 13 -7.092 10.209 3.231 1.00 3.22 N ATOM 154 CA LEU A 13 -6.823 11.606 3.199 1.00 72.12 C ATOM 155 C LEU A 13 -8.091 12.343 3.554 1.00 54.23 C ATOM 156 O LEU A 13 -9.100 12.273 2.830 1.00 45.30 O ATOM 157 CB LEU A 13 -6.338 12.013 1.803 1.00 51.35 C ATOM 158 CG LEU A 13 -6.144 13.510 1.561 1.00 15.02 C ATOM 159 CD1 LEU A 13 -5.131 14.107 2.532 1.00 35.31 C ATOM 160 CD2 LEU A 13 -5.730 13.769 0.128 1.00 31.25 C ATOM 0 H LEU A 13 -7.858 9.928 2.619 1.00 3.22 H new ATOM 0 HA LEU A 13 -6.041 11.856 3.916 1.00 72.12 H new ATOM 0 HB2 LEU A 13 -5.390 11.510 1.610 1.00 51.35 H new ATOM 0 HB3 LEU A 13 -7.053 11.638 1.070 1.00 51.35 H new ATOM 0 HG LEU A 13 -7.100 14.001 1.740 1.00 15.02 H new ATOM 0 HD11 LEU A 13 -5.018 15.172 2.331 1.00 35.31 H new ATOM 0 HD12 LEU A 13 -5.480 13.966 3.555 1.00 35.31 H new ATOM 0 HD13 LEU A 13 -4.169 13.610 2.405 1.00 35.31 H new ATOM 0 HD21 LEU A 13 -5.597 14.840 -0.024 1.00 31.25 H new ATOM 0 HD22 LEU A 13 -4.792 13.254 -0.078 1.00 31.25 H new ATOM 0 HD23 LEU A 13 -6.503 13.400 -0.546 1.00 31.25 H new ATOM 172 N ASP A 14 -8.069 13.016 4.652 1.00 54.02 N ATOM 173 CA ASP A 14 -9.218 13.728 5.087 1.00 42.14 C ATOM 174 C ASP A 14 -8.953 15.202 5.178 1.00 63.53 C ATOM 175 O ASP A 14 -8.296 15.691 6.102 1.00 54.22 O ATOM 176 CB ASP A 14 -9.792 13.190 6.395 1.00 11.52 C ATOM 177 CG ASP A 14 -10.998 13.989 6.832 1.00 52.40 C ATOM 178 OD1 ASP A 14 -11.914 14.187 6.013 1.00 11.45 O ATOM 179 OD2 ASP A 14 -11.030 14.473 7.980 1.00 10.52 O ATOM 0 H ASP A 14 -7.260 13.088 5.269 1.00 54.02 H new ATOM 0 HA ASP A 14 -9.979 13.568 4.324 1.00 42.14 H new ATOM 0 HB2 ASP A 14 -10.072 12.144 6.270 1.00 11.52 H new ATOM 0 HB3 ASP A 14 -9.028 13.225 7.172 1.00 11.52 H new ATOM 184 N ASP A 15 -9.425 15.891 4.186 1.00 34.02 N ATOM 185 CA ASP A 15 -9.379 17.347 4.121 1.00 44.15 C ATOM 186 C ASP A 15 -10.815 17.824 4.330 1.00 24.54 C ATOM 187 O ASP A 15 -11.222 18.901 3.921 1.00 15.42 O ATOM 188 CB ASP A 15 -8.833 17.772 2.731 1.00 64.45 C ATOM 189 CG ASP A 15 -8.693 19.285 2.525 1.00 31.02 C ATOM 190 OD1 ASP A 15 -7.910 19.936 3.254 1.00 43.32 O ATOM 191 OD2 ASP A 15 -9.361 19.844 1.606 1.00 52.34 O ATOM 0 H ASP A 15 -9.866 15.462 3.373 1.00 34.02 H new ATOM 0 HA ASP A 15 -8.724 17.783 4.875 1.00 44.15 H new ATOM 0 HB2 ASP A 15 -7.858 17.309 2.583 1.00 64.45 H new ATOM 0 HB3 ASP A 15 -9.494 17.375 1.961 1.00 64.45 H new ATOM 196 N GLY A 16 -11.568 16.996 5.031 1.00 24.41 N ATOM 197 CA GLY A 16 -12.967 17.221 5.202 1.00 63.14 C ATOM 198 C GLY A 16 -13.686 16.472 4.132 1.00 54.31 C ATOM 199 O GLY A 16 -14.618 16.973 3.518 1.00 51.41 O ATOM 0 H GLY A 16 -11.216 16.156 5.491 1.00 24.41 H new ATOM 0 HA2 GLY A 16 -13.290 16.884 6.187 1.00 63.14 H new ATOM 0 HA3 GLY A 16 -13.193 18.286 5.140 1.00 63.14 H new ATOM 203 N SER A 17 -13.237 15.260 3.911 1.00 51.44 N ATOM 204 CA SER A 17 -13.698 14.452 2.824 1.00 33.24 C ATOM 205 C SER A 17 -13.685 12.968 3.196 1.00 31.22 C ATOM 206 O SER A 17 -14.736 12.313 3.242 1.00 73.43 O ATOM 207 CB SER A 17 -12.792 14.718 1.621 1.00 64.03 C ATOM 208 OG SER A 17 -11.407 14.628 2.004 1.00 22.31 O ATOM 0 H SER A 17 -12.532 14.807 4.493 1.00 51.44 H new ATOM 0 HA SER A 17 -14.729 14.710 2.582 1.00 33.24 H new ATOM 0 HB2 SER A 17 -13.005 13.997 0.831 1.00 64.03 H new ATOM 0 HB3 SER A 17 -12.999 15.708 1.214 1.00 64.03 H new ATOM 0 HG SER A 17 -10.840 14.799 1.223 1.00 22.31 H new ATOM 214 N GLY A 18 -12.508 12.461 3.486 1.00 34.30 N ATOM 215 CA GLY A 18 -12.356 11.073 3.825 1.00 12.42 C ATOM 216 C GLY A 18 -12.076 10.243 2.595 1.00 74.21 C ATOM 217 O GLY A 18 -12.598 9.135 2.446 1.00 10.42 O ATOM 0 H GLY A 18 -11.640 12.997 3.492 1.00 34.30 H new ATOM 0 HA2 GLY A 18 -11.541 10.957 4.540 1.00 12.42 H new ATOM 0 HA3 GLY A 18 -13.262 10.713 4.313 1.00 12.42 H new ATOM 221 N ARG A 19 -11.262 10.781 1.707 1.00 32.32 N ATOM 222 CA ARG A 19 -10.906 10.092 0.482 1.00 25.43 C ATOM 223 C ARG A 19 -9.909 9.022 0.768 1.00 33.45 C ATOM 224 O ARG A 19 -9.126 9.129 1.715 1.00 54.20 O ATOM 225 CB ARG A 19 -10.339 11.040 -0.562 1.00 51.24 C ATOM 226 CG ARG A 19 -11.364 11.967 -1.200 1.00 32.22 C ATOM 227 CD ARG A 19 -12.345 11.201 -2.088 1.00 44.01 C ATOM 228 NE ARG A 19 -11.695 10.638 -3.283 1.00 2.04 N ATOM 229 CZ ARG A 19 -12.183 9.653 -4.051 1.00 14.23 C ATOM 230 NH1 ARG A 19 -13.291 9.014 -3.707 1.00 72.44 N ATOM 231 NH2 ARG A 19 -11.549 9.320 -5.166 1.00 35.20 N ATOM 0 H ARG A 19 -10.832 11.700 1.813 1.00 32.32 H new ATOM 0 HA ARG A 19 -11.820 9.655 0.080 1.00 25.43 H new ATOM 0 HB2 ARG A 19 -9.560 11.645 -0.099 1.00 51.24 H new ATOM 0 HB3 ARG A 19 -9.862 10.452 -1.346 1.00 51.24 H new ATOM 0 HG2 ARG A 19 -11.914 12.493 -0.420 1.00 32.22 H new ATOM 0 HG3 ARG A 19 -10.851 12.724 -1.793 1.00 32.22 H new ATOM 0 HD2 ARG A 19 -12.801 10.396 -1.512 1.00 44.01 H new ATOM 0 HD3 ARG A 19 -13.150 11.868 -2.395 1.00 44.01 H new ATOM 0 HE ARG A 19 -10.793 11.032 -3.551 1.00 2.04 H new ATOM 0 HH11 ARG A 19 -13.782 9.270 -2.850 1.00 72.44 H new ATOM 0 HH12 ARG A 19 -13.653 8.266 -4.299 1.00 72.44 H new ATOM 0 HH21 ARG A 19 -10.697 9.812 -5.434 1.00 35.20 H new ATOM 0 HH22 ARG A 19 -11.913 8.572 -5.756 1.00 35.20 H new ATOM 245 N THR A 20 -9.932 8.005 -0.023 1.00 41.03 N ATOM 246 CA THR A 20 -9.069 6.893 0.161 1.00 52.35 C ATOM 247 C THR A 20 -8.446 6.460 -1.159 1.00 70.11 C ATOM 248 O THR A 20 -9.069 6.588 -2.227 1.00 52.12 O ATOM 249 CB THR A 20 -9.835 5.733 0.830 1.00 12.12 C ATOM 250 OG1 THR A 20 -11.109 5.568 0.192 1.00 75.51 O ATOM 251 CG2 THR A 20 -10.048 6.015 2.302 1.00 10.41 C ATOM 0 H THR A 20 -10.558 7.923 -0.824 1.00 41.03 H new ATOM 0 HA THR A 20 -8.254 7.190 0.821 1.00 52.35 H new ATOM 0 HB THR A 20 -9.246 4.822 0.726 1.00 12.12 H new ATOM 0 HG1 THR A 20 -11.594 4.830 0.616 1.00 75.51 H new ATOM 0 HG21 THR A 20 -10.590 5.186 2.757 1.00 10.41 H new ATOM 0 HG22 THR A 20 -9.082 6.130 2.794 1.00 10.41 H new ATOM 0 HG23 THR A 20 -10.626 6.932 2.417 1.00 10.41 H new ATOM 259 N TYR A 21 -7.215 6.017 -1.096 1.00 24.44 N ATOM 260 CA TYR A 21 -6.515 5.542 -2.253 1.00 42.40 C ATOM 261 C TYR A 21 -5.913 4.184 -1.953 1.00 33.53 C ATOM 262 O TYR A 21 -5.077 4.055 -1.050 1.00 24.44 O ATOM 263 CB TYR A 21 -5.422 6.545 -2.679 1.00 24.54 C ATOM 264 CG TYR A 21 -4.604 6.094 -3.874 1.00 52.43 C ATOM 265 CD1 TYR A 21 -5.149 6.090 -5.150 1.00 10.44 C ATOM 266 CD2 TYR A 21 -3.296 5.651 -3.719 1.00 3.50 C ATOM 267 CE1 TYR A 21 -4.415 5.662 -6.236 1.00 2.13 C ATOM 268 CE2 TYR A 21 -2.558 5.217 -4.800 1.00 55.20 C ATOM 269 CZ TYR A 21 -3.120 5.226 -6.052 1.00 51.44 C ATOM 270 OH TYR A 21 -2.389 4.776 -7.126 1.00 40.34 O ATOM 0 H TYR A 21 -6.672 5.977 -0.234 1.00 24.44 H new ATOM 0 HA TYR A 21 -7.216 5.445 -3.082 1.00 42.40 H new ATOM 0 HB2 TYR A 21 -5.891 7.501 -2.912 1.00 24.54 H new ATOM 0 HB3 TYR A 21 -4.752 6.716 -1.837 1.00 24.54 H new ATOM 0 HD1 TYR A 21 -6.165 6.428 -5.295 1.00 10.44 H new ATOM 0 HD2 TYR A 21 -2.850 5.647 -2.735 1.00 3.50 H new ATOM 0 HE1 TYR A 21 -4.851 5.668 -7.224 1.00 2.13 H new ATOM 0 HE2 TYR A 21 -1.544 4.872 -4.662 1.00 55.20 H new ATOM 0 HH TYR A 21 -1.726 4.123 -6.820 1.00 40.34 H new ATOM 280 N GLN A 22 -6.369 3.183 -2.657 1.00 23.23 N ATOM 281 CA GLN A 22 -5.853 1.844 -2.512 1.00 75.12 C ATOM 282 C GLN A 22 -4.555 1.708 -3.292 1.00 53.12 C ATOM 283 O GLN A 22 -4.469 2.121 -4.464 1.00 53.33 O ATOM 284 CB GLN A 22 -6.865 0.807 -3.030 1.00 11.22 C ATOM 285 CG GLN A 22 -6.375 -0.638 -2.914 1.00 30.52 C ATOM 286 CD GLN A 22 -7.301 -1.656 -3.556 1.00 14.11 C ATOM 287 OE1 GLN A 22 -8.002 -1.369 -4.534 1.00 20.20 O ATOM 288 NE2 GLN A 22 -7.296 -2.851 -3.031 1.00 73.11 N ATOM 0 H GLN A 22 -7.112 3.271 -3.351 1.00 23.23 H new ATOM 0 HA GLN A 22 -5.673 1.660 -1.453 1.00 75.12 H new ATOM 0 HB2 GLN A 22 -7.797 0.912 -2.474 1.00 11.22 H new ATOM 0 HB3 GLN A 22 -7.091 1.022 -4.074 1.00 11.22 H new ATOM 0 HG2 GLN A 22 -5.390 -0.715 -3.375 1.00 30.52 H new ATOM 0 HG3 GLN A 22 -6.253 -0.886 -1.860 1.00 30.52 H new ATOM 0 HE21 GLN A 22 -6.705 -3.051 -2.224 1.00 73.11 H new ATOM 0 HE22 GLN A 22 -7.883 -3.585 -3.427 1.00 73.11 H new ATOM 297 N LEU A 23 -3.561 1.161 -2.657 1.00 72.40 N ATOM 298 CA LEU A 23 -2.319 0.875 -3.316 1.00 23.03 C ATOM 299 C LEU A 23 -2.452 -0.467 -3.988 1.00 72.41 C ATOM 300 O LEU A 23 -2.789 -1.459 -3.333 1.00 15.15 O ATOM 301 CB LEU A 23 -1.178 0.804 -2.313 1.00 72.03 C ATOM 302 CG LEU A 23 -0.858 2.070 -1.518 1.00 23.03 C ATOM 303 CD1 LEU A 23 0.189 1.753 -0.482 1.00 44.11 C ATOM 304 CD2 LEU A 23 -0.355 3.172 -2.433 1.00 34.23 C ATOM 0 H LEU A 23 -3.587 0.901 -1.671 1.00 72.40 H new ATOM 0 HA LEU A 23 -2.101 1.664 -4.036 1.00 23.03 H new ATOM 0 HB2 LEU A 23 -1.403 0.009 -1.603 1.00 72.03 H new ATOM 0 HB3 LEU A 23 -0.277 0.507 -2.849 1.00 72.03 H new ATOM 0 HG LEU A 23 -1.769 2.419 -1.033 1.00 23.03 H new ATOM 0 HD11 LEU A 23 0.421 2.653 0.088 1.00 44.11 H new ATOM 0 HD12 LEU A 23 -0.187 0.983 0.192 1.00 44.11 H new ATOM 0 HD13 LEU A 23 1.092 1.393 -0.975 1.00 44.11 H new ATOM 0 HD21 LEU A 23 -0.134 4.062 -1.844 1.00 34.23 H new ATOM 0 HD22 LEU A 23 0.551 2.839 -2.940 1.00 34.23 H new ATOM 0 HD23 LEU A 23 -1.120 3.408 -3.173 1.00 34.23 H new ATOM 316 N ARG A 24 -2.252 -0.507 -5.274 1.00 55.20 N ATOM 317 CA ARG A 24 -2.297 -1.763 -5.968 1.00 53.44 C ATOM 318 C ARG A 24 -0.906 -2.323 -6.069 1.00 11.44 C ATOM 319 O ARG A 24 0.059 -1.677 -5.624 1.00 33.54 O ATOM 320 CB ARG A 24 -2.936 -1.647 -7.348 1.00 43.24 C ATOM 321 CG ARG A 24 -4.358 -1.137 -7.326 1.00 71.31 C ATOM 322 CD ARG A 24 -5.037 -1.354 -8.660 1.00 62.45 C ATOM 323 NE ARG A 24 -5.272 -2.781 -8.922 1.00 34.23 N ATOM 324 CZ ARG A 24 -6.070 -3.277 -9.875 1.00 25.23 C ATOM 325 NH1 ARG A 24 -6.666 -2.471 -10.744 1.00 13.15 N ATOM 326 NH2 ARG A 24 -6.257 -4.586 -9.961 1.00 30.41 N ATOM 0 H ARG A 24 -2.058 0.306 -5.859 1.00 55.20 H new ATOM 0 HA ARG A 24 -2.928 -2.442 -5.395 1.00 53.44 H new ATOM 0 HB2 ARG A 24 -2.331 -0.980 -7.962 1.00 43.24 H new ATOM 0 HB3 ARG A 24 -2.919 -2.625 -7.828 1.00 43.24 H new ATOM 0 HG2 ARG A 24 -4.918 -1.647 -6.542 1.00 71.31 H new ATOM 0 HG3 ARG A 24 -4.363 -0.075 -7.081 1.00 71.31 H new ATOM 0 HD2 ARG A 24 -5.987 -0.819 -8.677 1.00 62.45 H new ATOM 0 HD3 ARG A 24 -4.421 -0.934 -9.455 1.00 62.45 H new ATOM 0 HE ARG A 24 -4.785 -3.451 -8.326 1.00 34.23 H new ATOM 0 HH11 ARG A 24 -6.518 -1.463 -10.690 1.00 13.15 H new ATOM 0 HH12 ARG A 24 -7.272 -2.859 -11.467 1.00 13.15 H new ATOM 0 HH21 ARG A 24 -5.793 -5.212 -9.302 1.00 30.41 H new ATOM 0 HH22 ARG A 24 -6.864 -4.968 -10.686 1.00 30.41 H new ATOM 340 N GLU A 25 -0.786 -3.487 -6.662 1.00 53.05 N ATOM 341 CA GLU A 25 0.488 -4.161 -6.742 1.00 70.13 C ATOM 342 C GLU A 25 1.430 -3.439 -7.682 1.00 12.35 C ATOM 343 O GLU A 25 1.053 -3.041 -8.801 1.00 51.31 O ATOM 344 CB GLU A 25 0.375 -5.670 -7.085 1.00 45.34 C ATOM 345 CG GLU A 25 -0.393 -6.023 -8.361 1.00 42.32 C ATOM 346 CD GLU A 25 -1.887 -5.886 -8.217 1.00 21.11 C ATOM 347 OE1 GLU A 25 -2.429 -4.781 -8.409 1.00 72.24 O ATOM 348 OE2 GLU A 25 -2.559 -6.883 -7.895 1.00 62.23 O ATOM 0 H GLU A 25 -1.559 -3.989 -7.098 1.00 53.05 H new ATOM 0 HA GLU A 25 0.913 -4.124 -5.739 1.00 70.13 H new ATOM 0 HB2 GLU A 25 1.382 -6.077 -7.169 1.00 45.34 H new ATOM 0 HB3 GLU A 25 -0.104 -6.176 -6.247 1.00 45.34 H new ATOM 0 HG2 GLU A 25 -0.053 -5.378 -9.171 1.00 42.32 H new ATOM 0 HG3 GLU A 25 -0.155 -7.047 -8.648 1.00 42.32 H new ATOM 355 N GLY A 26 2.625 -3.244 -7.217 1.00 74.40 N ATOM 356 CA GLY A 26 3.599 -2.525 -7.951 1.00 54.51 C ATOM 357 C GLY A 26 4.070 -1.367 -7.139 1.00 32.13 C ATOM 358 O GLY A 26 3.929 -1.368 -5.911 1.00 20.05 O ATOM 0 H GLY A 26 2.946 -3.585 -6.311 1.00 74.40 H new ATOM 0 HA2 GLY A 26 4.438 -3.175 -8.199 1.00 54.51 H new ATOM 0 HA3 GLY A 26 3.177 -2.176 -8.893 1.00 54.51 H new ATOM 362 N SER A 27 4.631 -0.401 -7.767 1.00 13.44 N ATOM 363 CA SER A 27 5.051 0.756 -7.071 1.00 60.03 C ATOM 364 C SER A 27 4.104 1.918 -7.386 1.00 24.54 C ATOM 365 O SER A 27 3.586 2.034 -8.507 1.00 51.43 O ATOM 366 CB SER A 27 6.497 1.079 -7.395 1.00 32.02 C ATOM 367 OG SER A 27 6.712 1.117 -8.806 1.00 14.21 O ATOM 0 H SER A 27 4.811 -0.390 -8.771 1.00 13.44 H new ATOM 0 HA SER A 27 5.006 0.575 -5.997 1.00 60.03 H new ATOM 0 HB2 SER A 27 6.765 2.041 -6.957 1.00 32.02 H new ATOM 0 HB3 SER A 27 7.150 0.331 -6.945 1.00 32.02 H new ATOM 0 HG SER A 27 7.651 1.329 -8.988 1.00 14.21 H new ATOM 373 N ASN A 28 3.870 2.743 -6.423 1.00 32.22 N ATOM 374 CA ASN A 28 2.948 3.837 -6.547 1.00 3.22 C ATOM 375 C ASN A 28 3.694 5.111 -6.269 1.00 41.31 C ATOM 376 O ASN A 28 4.177 5.324 -5.151 1.00 43.32 O ATOM 377 CB ASN A 28 1.766 3.663 -5.562 1.00 3.20 C ATOM 378 CG ASN A 28 0.908 2.421 -5.847 1.00 31.13 C ATOM 379 OD1 ASN A 28 -0.071 2.487 -6.571 1.00 32.43 O ATOM 380 ND2 ASN A 28 1.272 1.288 -5.272 1.00 32.31 N ATOM 0 H ASN A 28 4.318 2.681 -5.509 1.00 32.22 H new ATOM 0 HA ASN A 28 2.532 3.866 -7.554 1.00 3.22 H new ATOM 0 HB2 ASN A 28 2.156 3.600 -4.546 1.00 3.20 H new ATOM 0 HB3 ASN A 28 1.133 4.550 -5.606 1.00 3.20 H new ATOM 0 HD21 ASN A 28 0.729 0.439 -5.429 1.00 32.31 H new ATOM 0 HD22 ASN A 28 2.096 1.263 -4.671 1.00 32.31 H new ATOM 387 N ILE A 29 3.857 5.921 -7.289 1.00 42.32 N ATOM 388 CA ILE A 29 4.592 7.166 -7.164 1.00 71.34 C ATOM 389 C ILE A 29 3.651 8.263 -6.681 1.00 44.13 C ATOM 390 O ILE A 29 2.543 8.433 -7.223 1.00 51.10 O ATOM 391 CB ILE A 29 5.252 7.588 -8.517 1.00 11.42 C ATOM 392 CG1 ILE A 29 6.114 6.442 -9.093 1.00 53.23 C ATOM 393 CG2 ILE A 29 6.098 8.857 -8.351 1.00 43.05 C ATOM 394 CD1 ILE A 29 7.241 5.975 -8.188 1.00 51.45 C ATOM 0 H ILE A 29 3.489 5.741 -8.223 1.00 42.32 H new ATOM 0 HA ILE A 29 5.393 7.016 -6.440 1.00 71.34 H new ATOM 0 HB ILE A 29 4.448 7.804 -9.220 1.00 11.42 H new ATOM 0 HG12 ILE A 29 5.466 5.593 -9.310 1.00 53.23 H new ATOM 0 HG13 ILE A 29 6.540 6.769 -10.042 1.00 53.23 H new ATOM 0 HG21 ILE A 29 6.544 9.125 -9.309 1.00 43.05 H new ATOM 0 HG22 ILE A 29 5.465 9.674 -8.004 1.00 43.05 H new ATOM 0 HG23 ILE A 29 6.887 8.675 -7.622 1.00 43.05 H new ATOM 0 HD11 ILE A 29 7.790 5.170 -8.676 1.00 51.45 H new ATOM 0 HD12 ILE A 29 7.917 6.807 -7.990 1.00 51.45 H new ATOM 0 HD13 ILE A 29 6.826 5.613 -7.247 1.00 51.45 H new ATOM 406 N ILE A 30 4.071 8.969 -5.675 1.00 33.30 N ATOM 407 CA ILE A 30 3.296 10.013 -5.069 1.00 75.31 C ATOM 408 C ILE A 30 3.988 11.369 -5.259 1.00 44.32 C ATOM 409 O ILE A 30 5.227 11.475 -5.132 1.00 32.44 O ATOM 410 CB ILE A 30 3.062 9.696 -3.551 1.00 60.31 C ATOM 411 CG1 ILE A 30 2.159 8.453 -3.395 1.00 21.22 C ATOM 412 CG2 ILE A 30 2.515 10.886 -2.798 1.00 35.52 C ATOM 413 CD1 ILE A 30 1.862 8.054 -1.963 1.00 60.41 C ATOM 0 H ILE A 30 4.984 8.833 -5.241 1.00 33.30 H new ATOM 0 HA ILE A 30 2.323 10.066 -5.556 1.00 75.31 H new ATOM 0 HB ILE A 30 4.030 9.472 -3.104 1.00 60.31 H new ATOM 0 HG12 ILE A 30 1.215 8.641 -3.907 1.00 21.22 H new ATOM 0 HG13 ILE A 30 2.634 7.612 -3.900 1.00 21.22 H new ATOM 0 HG21 ILE A 30 2.369 10.619 -1.751 1.00 35.52 H new ATOM 0 HG22 ILE A 30 3.220 11.715 -2.866 1.00 35.52 H new ATOM 0 HG23 ILE A 30 1.561 11.184 -3.233 1.00 35.52 H new ATOM 0 HD11 ILE A 30 1.222 7.172 -1.956 1.00 60.41 H new ATOM 0 HD12 ILE A 30 2.795 7.829 -1.447 1.00 60.41 H new ATOM 0 HD13 ILE A 30 1.355 8.874 -1.454 1.00 60.41 H new ATOM 425 N GLY A 31 3.207 12.373 -5.620 1.00 62.24 N ATOM 426 CA GLY A 31 3.719 13.700 -5.782 1.00 10.12 C ATOM 427 C GLY A 31 2.984 14.447 -6.840 1.00 52.12 C ATOM 428 O GLY A 31 1.883 14.062 -7.216 1.00 22.02 O ATOM 0 H GLY A 31 2.208 12.280 -5.805 1.00 62.24 H new ATOM 0 HA2 GLY A 31 3.643 14.238 -4.837 1.00 10.12 H new ATOM 0 HA3 GLY A 31 4.778 13.653 -6.038 1.00 10.12 H new ATOM 432 N ARG A 32 3.553 15.519 -7.299 1.00 53.10 N ATOM 433 CA ARG A 32 2.968 16.265 -8.374 1.00 74.44 C ATOM 434 C ARG A 32 3.864 16.230 -9.572 1.00 4.33 C ATOM 435 O ARG A 32 4.906 16.892 -9.606 1.00 52.31 O ATOM 436 CB ARG A 32 2.705 17.713 -8.025 1.00 64.23 C ATOM 437 CG ARG A 32 1.633 17.968 -7.006 1.00 11.55 C ATOM 438 CD ARG A 32 1.148 19.389 -7.215 1.00 22.12 C ATOM 439 NE ARG A 32 0.069 19.805 -6.332 1.00 22.41 N ATOM 440 CZ ARG A 32 -0.966 20.568 -6.723 1.00 0.31 C ATOM 441 NH1 ARG A 32 -1.210 20.757 -8.011 1.00 1.14 N ATOM 442 NH2 ARG A 32 -1.792 21.074 -5.828 1.00 52.11 N ATOM 0 H ARG A 32 4.429 15.901 -6.943 1.00 53.10 H new ATOM 0 HA ARG A 32 2.009 15.789 -8.581 1.00 74.44 H new ATOM 0 HB2 ARG A 32 3.634 18.151 -7.661 1.00 64.23 H new ATOM 0 HB3 ARG A 32 2.440 18.243 -8.940 1.00 64.23 H new ATOM 0 HG2 ARG A 32 0.813 17.260 -7.124 1.00 11.55 H new ATOM 0 HG3 ARG A 32 2.023 17.839 -5.996 1.00 11.55 H new ATOM 0 HD2 ARG A 32 1.990 20.068 -7.081 1.00 22.12 H new ATOM 0 HD3 ARG A 32 0.814 19.495 -8.247 1.00 22.12 H new ATOM 0 HE ARG A 32 0.100 19.500 -5.359 1.00 22.41 H new ATOM 0 HH11 ARG A 32 -0.611 20.322 -8.713 1.00 1.14 H new ATOM 0 HH12 ARG A 32 -1.997 21.337 -8.301 1.00 1.14 H new ATOM 0 HH21 ARG A 32 -1.646 20.887 -4.836 1.00 52.11 H new ATOM 0 HH22 ARG A 32 -2.577 21.653 -6.128 1.00 52.11 H new ATOM 456 N GLY A 33 3.465 15.498 -10.541 1.00 21.42 N ATOM 457 CA GLY A 33 4.199 15.386 -11.741 1.00 33.33 C ATOM 458 C GLY A 33 3.522 14.432 -12.644 1.00 12.10 C ATOM 459 O GLY A 33 2.469 13.894 -12.286 1.00 44.42 O ATOM 0 H GLY A 33 2.605 14.950 -10.522 1.00 21.42 H new ATOM 0 HA2 GLY A 33 4.283 16.361 -12.221 1.00 33.33 H new ATOM 0 HA3 GLY A 33 5.213 15.046 -11.530 1.00 33.33 H new ATOM 463 N GLN A 34 4.088 14.201 -13.787 1.00 4.44 N ATOM 464 CA GLN A 34 3.513 13.269 -14.734 1.00 2.42 C ATOM 465 C GLN A 34 3.939 11.850 -14.381 1.00 44.13 C ATOM 466 O GLN A 34 3.375 10.870 -14.866 1.00 74.43 O ATOM 467 CB GLN A 34 3.917 13.637 -16.168 1.00 71.13 C ATOM 468 CG GLN A 34 5.415 13.587 -16.449 1.00 71.33 C ATOM 469 CD GLN A 34 5.759 14.094 -17.833 1.00 65.52 C ATOM 470 OE1 GLN A 34 5.076 14.967 -18.376 1.00 74.41 O ATOM 471 NE2 GLN A 34 6.799 13.576 -18.407 1.00 34.43 N ATOM 0 H GLN A 34 4.953 14.643 -14.098 1.00 4.44 H new ATOM 0 HA GLN A 34 2.426 13.325 -14.678 1.00 2.42 H new ATOM 0 HB2 GLN A 34 3.411 12.961 -16.857 1.00 71.13 H new ATOM 0 HB3 GLN A 34 3.555 14.642 -16.385 1.00 71.13 H new ATOM 0 HG2 GLN A 34 5.942 14.184 -15.705 1.00 71.33 H new ATOM 0 HG3 GLN A 34 5.768 12.561 -16.342 1.00 71.33 H new ATOM 0 HE21 GLN A 34 7.340 12.856 -17.928 1.00 34.43 H new ATOM 0 HE22 GLN A 34 7.076 13.888 -19.338 1.00 34.43 H new ATOM 480 N ASP A 35 4.930 11.760 -13.513 1.00 52.24 N ATOM 481 CA ASP A 35 5.465 10.483 -13.047 1.00 44.53 C ATOM 482 C ASP A 35 4.614 9.965 -11.917 1.00 52.15 C ATOM 483 O ASP A 35 4.547 8.761 -11.668 1.00 4.00 O ATOM 484 CB ASP A 35 6.883 10.652 -12.492 1.00 1.40 C ATOM 485 CG ASP A 35 7.840 11.324 -13.424 1.00 32.20 C ATOM 486 OD1 ASP A 35 8.530 10.641 -14.208 1.00 2.44 O ATOM 487 OD2 ASP A 35 7.972 12.540 -13.357 1.00 44.41 O ATOM 0 H ASP A 35 5.393 12.573 -13.106 1.00 52.24 H new ATOM 0 HA ASP A 35 5.471 9.798 -13.895 1.00 44.53 H new ATOM 0 HB2 ASP A 35 6.831 11.228 -11.568 1.00 1.40 H new ATOM 0 HB3 ASP A 35 7.277 9.669 -12.233 1.00 1.40 H new ATOM 492 N ALA A 36 3.947 10.870 -11.254 1.00 14.12 N ATOM 493 CA ALA A 36 3.204 10.559 -10.063 1.00 33.04 C ATOM 494 C ALA A 36 1.808 10.069 -10.379 1.00 25.41 C ATOM 495 O ALA A 36 1.144 10.589 -11.270 1.00 54.21 O ATOM 496 CB ALA A 36 3.163 11.764 -9.157 1.00 25.45 C ATOM 0 H ALA A 36 3.903 11.852 -11.527 1.00 14.12 H new ATOM 0 HA ALA A 36 3.714 9.745 -9.549 1.00 33.04 H new ATOM 0 HB1 ALA A 36 2.599 11.523 -8.256 1.00 25.45 H new ATOM 0 HB2 ALA A 36 4.179 12.048 -8.884 1.00 25.45 H new ATOM 0 HB3 ALA A 36 2.681 12.593 -9.676 1.00 25.45 H new ATOM 502 N GLN A 37 1.382 9.066 -9.646 1.00 32.44 N ATOM 503 CA GLN A 37 0.080 8.462 -9.810 1.00 1.14 C ATOM 504 C GLN A 37 -0.899 9.140 -8.871 1.00 63.33 C ATOM 505 O GLN A 37 -2.025 9.472 -9.240 1.00 52.31 O ATOM 506 CB GLN A 37 0.166 6.976 -9.478 1.00 33.33 C ATOM 507 CG GLN A 37 1.135 6.203 -10.352 1.00 20.34 C ATOM 508 CD GLN A 37 1.303 4.766 -9.915 1.00 73.31 C ATOM 509 OE1 GLN A 37 0.389 4.151 -9.378 1.00 74.23 O ATOM 510 NE2 GLN A 37 2.466 4.222 -10.147 1.00 21.50 N ATOM 0 H GLN A 37 1.940 8.640 -8.906 1.00 32.44 H new ATOM 0 HA GLN A 37 -0.258 8.580 -10.839 1.00 1.14 H new ATOM 0 HB2 GLN A 37 0.464 6.864 -8.436 1.00 33.33 H new ATOM 0 HB3 GLN A 37 -0.826 6.535 -9.575 1.00 33.33 H new ATOM 0 HG2 GLN A 37 0.783 6.225 -11.383 1.00 20.34 H new ATOM 0 HG3 GLN A 37 2.106 6.698 -10.336 1.00 20.34 H new ATOM 0 HE21 GLN A 37 3.203 4.766 -10.596 1.00 21.50 H new ATOM 0 HE22 GLN A 37 2.638 3.253 -9.879 1.00 21.50 H new ATOM 519 N PHE A 38 -0.467 9.332 -7.654 1.00 62.43 N ATOM 520 CA PHE A 38 -1.255 10.016 -6.673 1.00 21.10 C ATOM 521 C PHE A 38 -0.738 11.429 -6.554 1.00 22.25 C ATOM 522 O PHE A 38 0.372 11.667 -6.058 1.00 44.25 O ATOM 523 CB PHE A 38 -1.214 9.265 -5.333 1.00 50.00 C ATOM 524 CG PHE A 38 -1.852 9.977 -4.159 1.00 42.14 C ATOM 525 CD1 PHE A 38 -3.226 10.131 -4.061 1.00 1.34 C ATOM 526 CD2 PHE A 38 -1.062 10.465 -3.140 1.00 21.42 C ATOM 527 CE1 PHE A 38 -3.786 10.764 -2.963 1.00 23.43 C ATOM 528 CE2 PHE A 38 -1.602 11.095 -2.052 1.00 23.10 C ATOM 529 CZ PHE A 38 -2.969 11.247 -1.956 1.00 42.11 C ATOM 0 H PHE A 38 0.443 9.017 -7.317 1.00 62.43 H new ATOM 0 HA PHE A 38 -2.302 10.050 -6.976 1.00 21.10 H new ATOM 0 HB2 PHE A 38 -1.709 8.302 -5.462 1.00 50.00 H new ATOM 0 HB3 PHE A 38 -0.173 9.058 -5.086 1.00 50.00 H new ATOM 0 HD1 PHE A 38 -3.865 9.755 -4.846 1.00 1.34 H new ATOM 0 HD2 PHE A 38 0.010 10.347 -3.202 1.00 21.42 H new ATOM 0 HE1 PHE A 38 -4.857 10.880 -2.893 1.00 23.43 H new ATOM 0 HE2 PHE A 38 -0.959 11.472 -1.270 1.00 23.10 H new ATOM 0 HZ PHE A 38 -3.401 11.741 -1.098 1.00 42.11 H new ATOM 539 N ARG A 39 -1.522 12.342 -7.049 1.00 74.21 N ATOM 540 CA ARG A 39 -1.179 13.738 -7.071 1.00 21.14 C ATOM 541 C ARG A 39 -1.806 14.402 -5.874 1.00 10.25 C ATOM 542 O ARG A 39 -3.008 14.253 -5.637 1.00 22.12 O ATOM 543 CB ARG A 39 -1.703 14.365 -8.364 1.00 14.42 C ATOM 544 CG ARG A 39 -1.188 13.681 -9.625 1.00 31.51 C ATOM 545 CD ARG A 39 -1.863 14.216 -10.881 1.00 64.01 C ATOM 546 NE ARG A 39 -3.328 14.047 -10.842 1.00 23.13 N ATOM 547 CZ ARG A 39 -4.055 13.295 -11.697 1.00 33.21 C ATOM 548 NH1 ARG A 39 -3.452 12.506 -12.595 1.00 62.14 N ATOM 549 NH2 ARG A 39 -5.388 13.304 -11.618 1.00 35.43 N ATOM 0 H ARG A 39 -2.434 12.136 -7.456 1.00 74.21 H new ATOM 0 HA ARG A 39 -0.097 13.868 -7.033 1.00 21.14 H new ATOM 0 HB2 ARG A 39 -2.792 14.329 -8.360 1.00 14.42 H new ATOM 0 HB3 ARG A 39 -1.419 15.417 -8.389 1.00 14.42 H new ATOM 0 HG2 ARG A 39 -0.111 13.827 -9.702 1.00 31.51 H new ATOM 0 HG3 ARG A 39 -1.360 12.607 -9.551 1.00 31.51 H new ATOM 0 HD2 ARG A 39 -1.624 15.273 -10.998 1.00 64.01 H new ATOM 0 HD3 ARG A 39 -1.463 13.701 -11.754 1.00 64.01 H new ATOM 0 HE ARG A 39 -3.835 14.540 -10.107 1.00 23.13 H new ATOM 0 HH11 ARG A 39 -2.434 12.468 -12.638 1.00 62.14 H new ATOM 0 HH12 ARG A 39 -4.011 11.943 -13.236 1.00 62.14 H new ATOM 0 HH21 ARG A 39 -5.853 13.877 -10.914 1.00 35.43 H new ATOM 0 HH22 ARG A 39 -5.941 12.738 -12.262 1.00 35.43 H new ATOM 563 N LEU A 40 -1.020 15.103 -5.106 1.00 41.53 N ATOM 564 CA LEU A 40 -1.530 15.747 -3.908 1.00 62.41 C ATOM 565 C LEU A 40 -2.241 17.044 -4.221 1.00 13.13 C ATOM 566 O LEU A 40 -1.903 17.721 -5.193 1.00 51.04 O ATOM 567 CB LEU A 40 -0.444 15.990 -2.846 1.00 3.52 C ATOM 568 CG LEU A 40 -0.015 14.787 -2.017 1.00 41.24 C ATOM 569 CD1 LEU A 40 0.760 13.792 -2.843 1.00 43.41 C ATOM 570 CD2 LEU A 40 0.776 15.231 -0.805 1.00 62.52 C ATOM 0 H LEU A 40 -0.025 15.248 -5.279 1.00 41.53 H new ATOM 0 HA LEU A 40 -2.250 15.044 -3.489 1.00 62.41 H new ATOM 0 HB2 LEU A 40 0.438 16.390 -3.347 1.00 3.52 H new ATOM 0 HB3 LEU A 40 -0.801 16.762 -2.165 1.00 3.52 H new ATOM 0 HG LEU A 40 -0.916 14.282 -1.669 1.00 41.24 H new ATOM 0 HD11 LEU A 40 1.049 12.947 -2.218 1.00 43.41 H new ATOM 0 HD12 LEU A 40 0.138 13.439 -3.665 1.00 43.41 H new ATOM 0 HD13 LEU A 40 1.654 14.270 -3.244 1.00 43.41 H new ATOM 0 HD21 LEU A 40 1.074 14.358 -0.225 1.00 62.52 H new ATOM 0 HD22 LEU A 40 1.665 15.772 -1.129 1.00 62.52 H new ATOM 0 HD23 LEU A 40 0.159 15.884 -0.187 1.00 62.52 H new ATOM 582 N PRO A 41 -3.246 17.411 -3.404 1.00 4.04 N ATOM 583 CA PRO A 41 -3.986 18.665 -3.571 1.00 43.25 C ATOM 584 C PRO A 41 -3.148 19.892 -3.189 1.00 34.21 C ATOM 585 O PRO A 41 -3.498 21.018 -3.520 1.00 21.54 O ATOM 586 CB PRO A 41 -5.170 18.534 -2.597 1.00 24.12 C ATOM 587 CG PRO A 41 -5.190 17.112 -2.162 1.00 40.52 C ATOM 588 CD PRO A 41 -3.788 16.614 -2.279 1.00 3.22 C ATOM 0 HA PRO A 41 -4.280 18.812 -4.610 1.00 43.25 H new ATOM 0 HB2 PRO A 41 -5.048 19.201 -1.744 1.00 24.12 H new ATOM 0 HB3 PRO A 41 -6.107 18.806 -3.083 1.00 24.12 H new ATOM 0 HG2 PRO A 41 -5.548 17.025 -1.136 1.00 40.52 H new ATOM 0 HG3 PRO A 41 -5.864 16.525 -2.786 1.00 40.52 H new ATOM 0 HD2 PRO A 41 -3.224 16.776 -1.361 1.00 3.22 H new ATOM 0 HD3 PRO A 41 -3.755 15.545 -2.489 1.00 3.22 H new ATOM 596 N ASP A 42 -2.020 19.664 -2.546 1.00 44.14 N ATOM 597 CA ASP A 42 -1.186 20.750 -2.048 1.00 70.02 C ATOM 598 C ASP A 42 0.067 20.921 -2.841 1.00 35.50 C ATOM 599 O ASP A 42 0.438 20.043 -3.631 1.00 4.22 O ATOM 600 CB ASP A 42 -0.853 20.569 -0.574 1.00 73.50 C ATOM 601 CG ASP A 42 -2.014 20.898 0.307 1.00 0.00 C ATOM 602 OD1 ASP A 42 -2.909 20.057 0.469 1.00 73.51 O ATOM 603 OD2 ASP A 42 -2.056 22.021 0.849 1.00 50.25 O ATOM 0 H ASP A 42 -1.655 18.731 -2.353 1.00 44.14 H new ATOM 0 HA ASP A 42 -1.775 21.660 -2.164 1.00 70.02 H new ATOM 0 HB2 ASP A 42 -0.543 19.539 -0.396 1.00 73.50 H new ATOM 0 HB3 ASP A 42 -0.008 21.206 -0.313 1.00 73.50 H new ATOM 608 N THR A 43 0.703 22.047 -2.649 1.00 64.33 N ATOM 609 CA THR A 43 1.923 22.385 -3.326 1.00 61.23 C ATOM 610 C THR A 43 3.093 22.158 -2.340 1.00 73.05 C ATOM 611 O THR A 43 2.859 22.037 -1.131 1.00 0.42 O ATOM 612 CB THR A 43 1.851 23.866 -3.774 1.00 41.41 C ATOM 613 OG1 THR A 43 0.595 24.079 -4.445 1.00 52.52 O ATOM 614 CG2 THR A 43 2.968 24.218 -4.742 1.00 73.14 C ATOM 0 H THR A 43 0.379 22.768 -2.004 1.00 64.33 H new ATOM 0 HA THR A 43 2.074 21.766 -4.210 1.00 61.23 H new ATOM 0 HB THR A 43 1.950 24.493 -2.888 1.00 41.41 H new ATOM 0 HG1 THR A 43 0.533 25.013 -4.734 1.00 52.52 H new ATOM 0 HG21 THR A 43 2.882 25.265 -5.032 1.00 73.14 H new ATOM 0 HG22 THR A 43 3.932 24.053 -4.261 1.00 73.14 H new ATOM 0 HG23 THR A 43 2.893 23.589 -5.629 1.00 73.14 H new ATOM 622 N GLY A 44 4.308 22.066 -2.839 1.00 42.11 N ATOM 623 CA GLY A 44 5.441 21.801 -1.981 1.00 33.22 C ATOM 624 C GLY A 44 5.877 20.382 -2.156 1.00 35.31 C ATOM 625 O GLY A 44 6.851 19.920 -1.557 1.00 50.12 O ATOM 0 H GLY A 44 4.535 22.170 -3.828 1.00 42.11 H new ATOM 0 HA2 GLY A 44 6.261 22.477 -2.224 1.00 33.22 H new ATOM 0 HA3 GLY A 44 5.174 21.985 -0.940 1.00 33.22 H new ATOM 629 N VAL A 45 5.158 19.710 -3.009 1.00 13.32 N ATOM 630 CA VAL A 45 5.343 18.327 -3.280 1.00 4.31 C ATOM 631 C VAL A 45 6.078 18.185 -4.613 1.00 13.12 C ATOM 632 O VAL A 45 5.702 18.825 -5.609 1.00 11.21 O ATOM 633 CB VAL A 45 3.964 17.625 -3.355 1.00 42.54 C ATOM 634 CG1 VAL A 45 4.115 16.141 -3.479 1.00 43.11 C ATOM 635 CG2 VAL A 45 3.119 17.965 -2.141 1.00 3.34 C ATOM 0 H VAL A 45 4.403 20.131 -3.550 1.00 13.32 H new ATOM 0 HA VAL A 45 5.929 17.863 -2.487 1.00 4.31 H new ATOM 0 HB VAL A 45 3.457 17.992 -4.248 1.00 42.54 H new ATOM 0 HG11 VAL A 45 3.130 15.678 -3.529 1.00 43.11 H new ATOM 0 HG12 VAL A 45 4.673 15.907 -4.386 1.00 43.11 H new ATOM 0 HG13 VAL A 45 4.653 15.756 -2.612 1.00 43.11 H new ATOM 0 HG21 VAL A 45 2.155 17.461 -2.216 1.00 3.34 H new ATOM 0 HG22 VAL A 45 3.632 17.636 -1.237 1.00 3.34 H new ATOM 0 HG23 VAL A 45 2.962 19.043 -2.097 1.00 3.34 H new ATOM 645 N SER A 46 7.109 17.382 -4.623 1.00 31.23 N ATOM 646 CA SER A 46 7.932 17.176 -5.802 1.00 4.33 C ATOM 647 C SER A 46 7.229 16.267 -6.833 1.00 74.25 C ATOM 648 O SER A 46 6.172 15.701 -6.540 1.00 60.21 O ATOM 649 CB SER A 46 9.224 16.536 -5.355 1.00 35.41 C ATOM 650 OG SER A 46 9.793 17.266 -4.279 1.00 72.12 O ATOM 0 H SER A 46 7.410 16.845 -3.810 1.00 31.23 H new ATOM 0 HA SER A 46 8.115 18.135 -6.287 1.00 4.33 H new ATOM 0 HB2 SER A 46 9.040 15.507 -5.047 1.00 35.41 H new ATOM 0 HB3 SER A 46 9.926 16.498 -6.188 1.00 35.41 H new ATOM 0 HG SER A 46 10.629 16.838 -3.999 1.00 72.12 H new ATOM 656 N ARG A 47 7.823 16.132 -8.038 1.00 60.15 N ATOM 657 CA ARG A 47 7.269 15.241 -9.085 1.00 4.33 C ATOM 658 C ARG A 47 7.315 13.794 -8.640 1.00 34.32 C ATOM 659 O ARG A 47 6.379 13.030 -8.853 1.00 1.41 O ATOM 660 CB ARG A 47 7.943 15.445 -10.460 1.00 34.52 C ATOM 661 CG ARG A 47 9.462 15.455 -10.429 1.00 2.21 C ATOM 662 CD ARG A 47 10.070 15.572 -11.819 1.00 11.23 C ATOM 663 NE ARG A 47 9.946 14.331 -12.606 1.00 43.44 N ATOM 664 CZ ARG A 47 10.981 13.673 -13.160 1.00 64.24 C ATOM 665 NH1 ARG A 47 12.231 14.093 -12.971 1.00 62.12 N ATOM 666 NH2 ARG A 47 10.754 12.589 -13.882 1.00 54.13 N ATOM 0 H ARG A 47 8.676 16.621 -8.310 1.00 60.15 H new ATOM 0 HA ARG A 47 6.224 15.517 -9.222 1.00 4.33 H new ATOM 0 HB2 ARG A 47 7.612 14.653 -11.132 1.00 34.52 H new ATOM 0 HB3 ARG A 47 7.596 16.388 -10.883 1.00 34.52 H new ATOM 0 HG2 ARG A 47 9.805 16.287 -9.814 1.00 2.21 H new ATOM 0 HG3 ARG A 47 9.819 14.541 -9.955 1.00 2.21 H new ATOM 0 HD2 ARG A 47 9.583 16.387 -12.355 1.00 11.23 H new ATOM 0 HD3 ARG A 47 11.124 15.835 -11.728 1.00 11.23 H new ATOM 0 HE ARG A 47 9.011 13.945 -12.740 1.00 43.44 H new ATOM 0 HH11 ARG A 47 12.411 14.920 -12.402 1.00 62.12 H new ATOM 0 HH12 ARG A 47 13.009 13.587 -13.395 1.00 62.12 H new ATOM 0 HH21 ARG A 47 9.799 12.256 -14.016 1.00 54.13 H new ATOM 0 HH22 ARG A 47 11.534 12.085 -14.305 1.00 54.13 H new ATOM 680 N ARG A 48 8.407 13.434 -8.040 1.00 42.14 N ATOM 681 CA ARG A 48 8.555 12.173 -7.392 1.00 72.21 C ATOM 682 C ARG A 48 8.936 12.507 -5.994 1.00 43.10 C ATOM 683 O ARG A 48 10.084 12.799 -5.707 1.00 30.23 O ATOM 684 CB ARG A 48 9.618 11.299 -8.051 1.00 34.22 C ATOM 685 CG ARG A 48 9.324 10.965 -9.493 1.00 71.23 C ATOM 686 CD ARG A 48 10.431 10.137 -10.101 1.00 64.00 C ATOM 687 NE ARG A 48 10.204 9.905 -11.522 1.00 54.20 N ATOM 688 CZ ARG A 48 10.660 8.862 -12.218 1.00 41.24 C ATOM 689 NH1 ARG A 48 11.397 7.917 -11.624 1.00 24.15 N ATOM 690 NH2 ARG A 48 10.364 8.769 -13.502 1.00 2.34 N ATOM 0 H ARG A 48 9.237 14.024 -7.987 1.00 42.14 H new ATOM 0 HA ARG A 48 7.635 11.592 -7.450 1.00 72.21 H new ATOM 0 HB2 ARG A 48 10.580 11.809 -7.995 1.00 34.22 H new ATOM 0 HB3 ARG A 48 9.715 10.372 -7.486 1.00 34.22 H new ATOM 0 HG2 ARG A 48 8.382 10.420 -9.558 1.00 71.23 H new ATOM 0 HG3 ARG A 48 9.200 11.885 -10.064 1.00 71.23 H new ATOM 0 HD2 ARG A 48 11.385 10.645 -9.962 1.00 64.00 H new ATOM 0 HD3 ARG A 48 10.500 9.181 -9.581 1.00 64.00 H new ATOM 0 HE ARG A 48 9.650 10.598 -12.026 1.00 54.20 H new ATOM 0 HH11 ARG A 48 11.615 7.990 -10.630 1.00 24.15 H new ATOM 0 HH12 ARG A 48 11.741 7.123 -12.165 1.00 24.15 H new ATOM 0 HH21 ARG A 48 9.794 9.488 -13.947 1.00 2.34 H new ATOM 0 HH22 ARG A 48 10.705 7.978 -14.048 1.00 2.34 H new ATOM 704 N HIS A 49 7.965 12.579 -5.169 1.00 73.52 N ATOM 705 CA HIS A 49 8.148 13.008 -3.814 1.00 3.32 C ATOM 706 C HIS A 49 8.294 11.808 -2.923 1.00 4.11 C ATOM 707 O HIS A 49 8.981 11.850 -1.921 1.00 62.53 O ATOM 708 CB HIS A 49 6.954 13.894 -3.389 1.00 4.11 C ATOM 709 CG HIS A 49 6.988 14.380 -1.968 1.00 63.12 C ATOM 710 ND1 HIS A 49 7.349 15.667 -1.646 1.00 71.42 N ATOM 711 CD2 HIS A 49 6.684 13.711 -0.839 1.00 12.31 C ATOM 712 CE1 HIS A 49 7.255 15.732 -0.320 1.00 14.52 C ATOM 713 NE2 HIS A 49 6.859 14.566 0.197 1.00 74.42 N ATOM 0 H HIS A 49 7.002 12.341 -5.406 1.00 73.52 H new ATOM 0 HA HIS A 49 9.057 13.603 -3.726 1.00 3.32 H new ATOM 0 HB2 HIS A 49 6.912 14.759 -4.050 1.00 4.11 H new ATOM 0 HB3 HIS A 49 6.033 13.331 -3.541 1.00 4.11 H new ATOM 0 HD2 HIS A 49 6.360 12.683 -0.772 1.00 12.31 H new ATOM 0 HE1 HIS A 49 7.471 16.615 0.263 1.00 14.52 H new ATOM 0 HE2 HIS A 49 6.715 14.358 1.185 1.00 74.42 H new ATOM 721 N LEU A 50 7.660 10.739 -3.298 1.00 50.22 N ATOM 722 CA LEU A 50 7.689 9.550 -2.519 1.00 51.23 C ATOM 723 C LEU A 50 7.226 8.379 -3.371 1.00 64.25 C ATOM 724 O LEU A 50 6.416 8.552 -4.287 1.00 51.52 O ATOM 725 CB LEU A 50 6.843 9.786 -1.228 1.00 12.41 C ATOM 726 CG LEU A 50 6.597 8.622 -0.279 1.00 32.04 C ATOM 727 CD1 LEU A 50 6.301 9.173 1.098 1.00 4.32 C ATOM 728 CD2 LEU A 50 5.398 7.825 -0.742 1.00 23.32 C ATOM 0 H LEU A 50 7.109 10.672 -4.154 1.00 50.22 H new ATOM 0 HA LEU A 50 8.697 9.297 -2.191 1.00 51.23 H new ATOM 0 HB2 LEU A 50 7.329 10.578 -0.657 1.00 12.41 H new ATOM 0 HB3 LEU A 50 5.870 10.168 -1.538 1.00 12.41 H new ATOM 0 HG LEU A 50 7.478 7.980 -0.258 1.00 32.04 H new ATOM 0 HD11 LEU A 50 6.123 8.349 1.789 1.00 4.32 H new ATOM 0 HD12 LEU A 50 7.151 9.760 1.445 1.00 4.32 H new ATOM 0 HD13 LEU A 50 5.416 9.807 1.053 1.00 4.32 H new ATOM 0 HD21 LEU A 50 5.228 6.993 -0.058 1.00 23.32 H new ATOM 0 HD22 LEU A 50 4.518 8.468 -0.758 1.00 23.32 H new ATOM 0 HD23 LEU A 50 5.583 7.438 -1.744 1.00 23.32 H new ATOM 740 N GLU A 51 7.778 7.223 -3.115 1.00 52.42 N ATOM 741 CA GLU A 51 7.437 6.027 -3.849 1.00 62.11 C ATOM 742 C GLU A 51 7.113 4.877 -2.909 1.00 71.23 C ATOM 743 O GLU A 51 7.912 4.514 -2.034 1.00 42.04 O ATOM 744 CB GLU A 51 8.551 5.633 -4.833 1.00 22.51 C ATOM 745 CG GLU A 51 9.951 5.650 -4.235 1.00 53.12 C ATOM 746 CD GLU A 51 11.002 5.098 -5.165 1.00 43.44 C ATOM 747 OE1 GLU A 51 11.489 5.830 -6.059 1.00 40.50 O ATOM 748 OE2 GLU A 51 11.384 3.923 -5.003 1.00 53.53 O ATOM 0 H GLU A 51 8.480 7.081 -2.389 1.00 52.42 H new ATOM 0 HA GLU A 51 6.542 6.248 -4.431 1.00 62.11 H new ATOM 0 HB2 GLU A 51 8.344 4.634 -5.216 1.00 22.51 H new ATOM 0 HB3 GLU A 51 8.524 6.313 -5.685 1.00 22.51 H new ATOM 0 HG2 GLU A 51 10.213 6.674 -3.969 1.00 53.12 H new ATOM 0 HG3 GLU A 51 9.952 5.070 -3.312 1.00 53.12 H new ATOM 755 N ILE A 52 5.939 4.331 -3.063 1.00 24.33 N ATOM 756 CA ILE A 52 5.530 3.200 -2.275 1.00 63.31 C ATOM 757 C ILE A 52 5.597 1.946 -3.112 1.00 61.41 C ATOM 758 O ILE A 52 4.923 1.837 -4.121 1.00 3.24 O ATOM 759 CB ILE A 52 4.094 3.345 -1.727 1.00 20.02 C ATOM 760 CG1 ILE A 52 3.978 4.570 -0.818 1.00 73.35 C ATOM 761 CG2 ILE A 52 3.711 2.075 -0.978 1.00 54.31 C ATOM 762 CD1 ILE A 52 2.589 4.808 -0.258 1.00 74.55 C ATOM 0 H ILE A 52 5.242 4.654 -3.734 1.00 24.33 H new ATOM 0 HA ILE A 52 6.212 3.144 -1.427 1.00 63.31 H new ATOM 0 HB ILE A 52 3.407 3.490 -2.560 1.00 20.02 H new ATOM 0 HG12 ILE A 52 4.676 4.459 0.012 1.00 73.35 H new ATOM 0 HG13 ILE A 52 4.286 5.453 -1.378 1.00 73.35 H new ATOM 0 HG21 ILE A 52 2.697 2.173 -0.589 1.00 54.31 H new ATOM 0 HG22 ILE A 52 3.758 1.224 -1.657 1.00 54.31 H new ATOM 0 HG23 ILE A 52 4.403 1.918 -0.151 1.00 54.31 H new ATOM 0 HD11 ILE A 52 2.599 5.696 0.374 1.00 74.55 H new ATOM 0 HD12 ILE A 52 1.886 4.955 -1.078 1.00 74.55 H new ATOM 0 HD13 ILE A 52 2.282 3.945 0.333 1.00 74.55 H new ATOM 774 N ARG A 53 6.394 1.021 -2.708 1.00 60.41 N ATOM 775 CA ARG A 53 6.489 -0.226 -3.401 1.00 44.12 C ATOM 776 C ARG A 53 5.675 -1.262 -2.644 1.00 62.01 C ATOM 777 O ARG A 53 5.979 -1.588 -1.493 1.00 32.23 O ATOM 778 CB ARG A 53 7.948 -0.630 -3.551 1.00 12.11 C ATOM 779 CG ARG A 53 8.174 -1.886 -4.366 1.00 21.03 C ATOM 780 CD ARG A 53 9.648 -2.075 -4.637 1.00 21.31 C ATOM 781 NE ARG A 53 10.193 -0.947 -5.407 1.00 71.22 N ATOM 782 CZ ARG A 53 11.414 -0.399 -5.264 1.00 2.12 C ATOM 783 NH1 ARG A 53 12.310 -0.922 -4.423 1.00 72.34 N ATOM 784 NH2 ARG A 53 11.732 0.660 -5.991 1.00 21.23 N ATOM 0 H ARG A 53 6.999 1.101 -1.891 1.00 60.41 H new ATOM 0 HA ARG A 53 6.082 -0.140 -4.409 1.00 44.12 H new ATOM 0 HB2 ARG A 53 8.493 0.192 -4.016 1.00 12.11 H new ATOM 0 HB3 ARG A 53 8.375 -0.775 -2.559 1.00 12.11 H new ATOM 0 HG2 ARG A 53 7.782 -2.751 -3.831 1.00 21.03 H new ATOM 0 HG3 ARG A 53 7.629 -1.820 -5.308 1.00 21.03 H new ATOM 0 HD2 ARG A 53 10.185 -2.169 -3.693 1.00 21.31 H new ATOM 0 HD3 ARG A 53 9.804 -3.004 -5.186 1.00 21.31 H new ATOM 0 HE ARG A 53 9.586 -0.540 -6.119 1.00 71.22 H new ATOM 0 HH11 ARG A 53 12.074 -1.750 -3.876 1.00 72.34 H new ATOM 0 HH12 ARG A 53 13.231 -0.493 -4.327 1.00 72.34 H new ATOM 0 HH21 ARG A 53 11.056 1.049 -6.648 1.00 21.23 H new ATOM 0 HH22 ARG A 53 12.653 1.087 -5.894 1.00 21.23 H new ATOM 798 N TRP A 54 4.630 -1.733 -3.266 1.00 51.32 N ATOM 799 CA TRP A 54 3.713 -2.640 -2.638 1.00 62.34 C ATOM 800 C TRP A 54 3.737 -4.028 -3.287 1.00 71.44 C ATOM 801 O TRP A 54 3.746 -4.172 -4.525 1.00 51.05 O ATOM 802 CB TRP A 54 2.279 -2.036 -2.639 1.00 21.52 C ATOM 803 CG TRP A 54 1.183 -2.975 -2.177 1.00 60.51 C ATOM 804 CD1 TRP A 54 0.137 -3.424 -2.919 1.00 34.33 C ATOM 805 CD2 TRP A 54 1.044 -3.590 -0.893 1.00 34.24 C ATOM 806 NE1 TRP A 54 -0.642 -4.275 -2.178 1.00 42.04 N ATOM 807 CE2 TRP A 54 -0.108 -4.393 -0.932 1.00 23.33 C ATOM 808 CE3 TRP A 54 1.776 -3.539 0.275 1.00 34.24 C ATOM 809 CZ2 TRP A 54 -0.536 -5.138 0.163 1.00 73.14 C ATOM 810 CZ3 TRP A 54 1.359 -4.270 1.359 1.00 64.12 C ATOM 811 CH2 TRP A 54 0.212 -5.063 1.302 1.00 32.11 C ATOM 0 H TRP A 54 4.390 -1.496 -4.229 1.00 51.32 H new ATOM 0 HA TRP A 54 4.033 -2.777 -1.605 1.00 62.34 H new ATOM 0 HB2 TRP A 54 2.273 -1.154 -1.999 1.00 21.52 H new ATOM 0 HB3 TRP A 54 2.045 -1.699 -3.649 1.00 21.52 H new ATOM 0 HD1 TRP A 54 -0.054 -3.150 -3.946 1.00 34.33 H new ATOM 0 HE1 TRP A 54 -1.486 -4.744 -2.508 1.00 42.04 H new ATOM 0 HE3 TRP A 54 2.667 -2.931 0.336 1.00 34.24 H new ATOM 0 HZ2 TRP A 54 -1.424 -5.751 0.113 1.00 73.14 H new ATOM 0 HZ3 TRP A 54 1.930 -4.231 2.275 1.00 64.12 H new ATOM 0 HH2 TRP A 54 -0.088 -5.626 2.173 1.00 32.11 H new ATOM 822 N ASP A 55 3.774 -5.013 -2.434 1.00 42.22 N ATOM 823 CA ASP A 55 3.683 -6.422 -2.766 1.00 34.30 C ATOM 824 C ASP A 55 2.994 -7.026 -1.575 1.00 54.43 C ATOM 825 O ASP A 55 2.930 -6.359 -0.538 1.00 51.32 O ATOM 826 CB ASP A 55 5.083 -7.061 -2.937 1.00 23.13 C ATOM 827 CG ASP A 55 5.030 -8.526 -3.382 1.00 40.42 C ATOM 828 OD1 ASP A 55 4.986 -9.433 -2.525 1.00 63.31 O ATOM 829 OD2 ASP A 55 5.021 -8.789 -4.605 1.00 40.25 O ATOM 0 H ASP A 55 3.874 -4.854 -1.431 1.00 42.22 H new ATOM 0 HA ASP A 55 3.158 -6.584 -3.707 1.00 34.30 H new ATOM 0 HB2 ASP A 55 5.650 -6.486 -3.669 1.00 23.13 H new ATOM 0 HB3 ASP A 55 5.623 -6.995 -1.992 1.00 23.13 H new ATOM 834 N GLY A 56 2.486 -8.235 -1.680 1.00 64.21 N ATOM 835 CA GLY A 56 1.809 -8.879 -0.560 1.00 11.15 C ATOM 836 C GLY A 56 2.771 -9.299 0.562 1.00 23.32 C ATOM 837 O GLY A 56 2.869 -10.474 0.910 1.00 53.41 O ATOM 0 H GLY A 56 2.526 -8.798 -2.529 1.00 64.21 H new ATOM 0 HA2 GLY A 56 1.062 -8.197 -0.154 1.00 11.15 H new ATOM 0 HA3 GLY A 56 1.276 -9.758 -0.922 1.00 11.15 H new ATOM 841 N GLN A 57 3.480 -8.343 1.090 1.00 50.43 N ATOM 842 CA GLN A 57 4.407 -8.524 2.172 1.00 75.21 C ATOM 843 C GLN A 57 4.181 -7.393 3.148 1.00 14.02 C ATOM 844 O GLN A 57 3.488 -7.537 4.147 1.00 11.20 O ATOM 845 CB GLN A 57 5.865 -8.451 1.675 1.00 20.31 C ATOM 846 CG GLN A 57 6.279 -9.490 0.664 1.00 73.45 C ATOM 847 CD GLN A 57 7.704 -9.272 0.220 1.00 10.44 C ATOM 848 OE1 GLN A 57 7.969 -8.575 -0.755 1.00 45.41 O ATOM 849 NE2 GLN A 57 8.630 -9.821 0.949 1.00 32.42 N ATOM 0 H GLN A 57 3.426 -7.377 0.766 1.00 50.43 H new ATOM 0 HA GLN A 57 4.248 -9.501 2.627 1.00 75.21 H new ATOM 0 HB2 GLN A 57 6.029 -7.465 1.239 1.00 20.31 H new ATOM 0 HB3 GLN A 57 6.525 -8.532 2.539 1.00 20.31 H new ATOM 0 HG2 GLN A 57 6.177 -10.485 1.097 1.00 73.45 H new ATOM 0 HG3 GLN A 57 5.615 -9.448 -0.199 1.00 73.45 H new ATOM 0 HE21 GLN A 57 8.373 -10.394 1.753 1.00 32.42 H new ATOM 0 HE22 GLN A 57 9.613 -9.678 0.717 1.00 32.42 H new ATOM 858 N VAL A 58 4.717 -6.252 2.788 1.00 72.32 N ATOM 859 CA VAL A 58 4.637 -5.026 3.530 1.00 73.25 C ATOM 860 C VAL A 58 4.670 -3.924 2.502 1.00 61.22 C ATOM 861 O VAL A 58 5.092 -4.166 1.361 1.00 63.04 O ATOM 862 CB VAL A 58 5.839 -4.823 4.535 1.00 24.32 C ATOM 863 CG1 VAL A 58 5.833 -5.853 5.658 1.00 5.43 C ATOM 864 CG2 VAL A 58 7.180 -4.849 3.810 1.00 61.02 C ATOM 0 H VAL A 58 5.248 -6.153 1.923 1.00 72.32 H new ATOM 0 HA VAL A 58 3.732 -5.032 4.137 1.00 73.25 H new ATOM 0 HB VAL A 58 5.702 -3.839 4.984 1.00 24.32 H new ATOM 0 HG11 VAL A 58 6.678 -5.672 6.322 1.00 5.43 H new ATOM 0 HG12 VAL A 58 4.904 -5.771 6.222 1.00 5.43 H new ATOM 0 HG13 VAL A 58 5.913 -6.854 5.234 1.00 5.43 H new ATOM 0 HG21 VAL A 58 7.986 -4.707 4.530 1.00 61.02 H new ATOM 0 HG22 VAL A 58 7.305 -5.810 3.311 1.00 61.02 H new ATOM 0 HG23 VAL A 58 7.209 -4.049 3.070 1.00 61.02 H new ATOM 874 N ALA A 59 4.212 -2.767 2.850 1.00 2.44 N ATOM 875 CA ALA A 59 4.250 -1.661 1.935 1.00 51.11 C ATOM 876 C ALA A 59 5.478 -0.843 2.202 1.00 54.25 C ATOM 877 O ALA A 59 5.623 -0.234 3.275 1.00 30.22 O ATOM 878 CB ALA A 59 2.996 -0.826 2.025 1.00 4.43 C ATOM 0 H ALA A 59 3.805 -2.557 3.762 1.00 2.44 H new ATOM 0 HA ALA A 59 4.295 -2.044 0.915 1.00 51.11 H new ATOM 0 HB1 ALA A 59 3.059 0.002 1.319 1.00 4.43 H new ATOM 0 HB2 ALA A 59 2.130 -1.443 1.785 1.00 4.43 H new ATOM 0 HB3 ALA A 59 2.892 -0.433 3.036 1.00 4.43 H new ATOM 884 N LEU A 60 6.360 -0.857 1.259 1.00 0.44 N ATOM 885 CA LEU A 60 7.622 -0.201 1.373 1.00 32.03 C ATOM 886 C LEU A 60 7.487 1.272 1.013 1.00 62.13 C ATOM 887 O LEU A 60 7.310 1.636 -0.153 1.00 22.35 O ATOM 888 CB LEU A 60 8.622 -0.908 0.476 1.00 30.44 C ATOM 889 CG LEU A 60 10.061 -0.437 0.537 1.00 50.10 C ATOM 890 CD1 LEU A 60 10.630 -0.624 1.938 1.00 42.55 C ATOM 891 CD2 LEU A 60 10.870 -1.210 -0.469 1.00 11.24 C ATOM 0 H LEU A 60 6.222 -1.335 0.368 1.00 0.44 H new ATOM 0 HA LEU A 60 7.979 -0.249 2.402 1.00 32.03 H new ATOM 0 HB2 LEU A 60 8.604 -1.970 0.721 1.00 30.44 H new ATOM 0 HB3 LEU A 60 8.279 -0.812 -0.554 1.00 30.44 H new ATOM 0 HG LEU A 60 10.104 0.626 0.301 1.00 50.10 H new ATOM 0 HD11 LEU A 60 11.664 -0.280 1.960 1.00 42.55 H new ATOM 0 HD12 LEU A 60 10.040 -0.047 2.650 1.00 42.55 H new ATOM 0 HD13 LEU A 60 10.593 -1.679 2.208 1.00 42.55 H new ATOM 0 HD21 LEU A 60 11.908 -0.879 -0.433 1.00 11.24 H new ATOM 0 HD22 LEU A 60 10.821 -2.274 -0.236 1.00 11.24 H new ATOM 0 HD23 LEU A 60 10.469 -1.039 -1.468 1.00 11.24 H new ATOM 903 N LEU A 61 7.546 2.083 2.019 1.00 71.12 N ATOM 904 CA LEU A 61 7.385 3.505 1.927 1.00 52.14 C ATOM 905 C LEU A 61 8.773 4.138 1.818 1.00 50.51 C ATOM 906 O LEU A 61 9.569 4.071 2.752 1.00 54.55 O ATOM 907 CB LEU A 61 6.618 3.956 3.218 1.00 12.52 C ATOM 908 CG LEU A 61 6.196 5.437 3.438 1.00 72.02 C ATOM 909 CD1 LEU A 61 7.369 6.400 3.587 1.00 61.02 C ATOM 910 CD2 LEU A 61 5.256 5.886 2.351 1.00 34.24 C ATOM 0 H LEU A 61 7.715 1.761 2.972 1.00 71.12 H new ATOM 0 HA LEU A 61 6.816 3.816 1.051 1.00 52.14 H new ATOM 0 HB2 LEU A 61 5.709 3.356 3.272 1.00 12.52 H new ATOM 0 HB3 LEU A 61 7.237 3.673 4.069 1.00 12.52 H new ATOM 0 HG LEU A 61 5.676 5.465 4.395 1.00 72.02 H new ATOM 0 HD11 LEU A 61 6.992 7.412 3.737 1.00 61.02 H new ATOM 0 HD12 LEU A 61 7.974 6.107 4.445 1.00 61.02 H new ATOM 0 HD13 LEU A 61 7.981 6.371 2.685 1.00 61.02 H new ATOM 0 HD21 LEU A 61 4.972 6.924 2.522 1.00 34.24 H new ATOM 0 HD22 LEU A 61 5.751 5.800 1.384 1.00 34.24 H new ATOM 0 HD23 LEU A 61 4.364 5.260 2.360 1.00 34.24 H new ATOM 922 N ALA A 62 9.082 4.693 0.679 1.00 52.41 N ATOM 923 CA ALA A 62 10.350 5.356 0.496 1.00 72.43 C ATOM 924 C ALA A 62 10.132 6.808 0.140 1.00 75.32 C ATOM 925 O ALA A 62 9.461 7.122 -0.851 1.00 31.22 O ATOM 926 CB ALA A 62 11.183 4.658 -0.565 1.00 42.42 C ATOM 0 H ALA A 62 8.474 4.701 -0.140 1.00 52.41 H new ATOM 0 HA ALA A 62 10.902 5.307 1.435 1.00 72.43 H new ATOM 0 HB1 ALA A 62 12.133 5.179 -0.682 1.00 42.42 H new ATOM 0 HB2 ALA A 62 11.369 3.628 -0.262 1.00 42.42 H new ATOM 0 HB3 ALA A 62 10.645 4.666 -1.513 1.00 42.42 H new ATOM 932 N ASP A 63 10.671 7.676 0.950 1.00 4.42 N ATOM 933 CA ASP A 63 10.555 9.113 0.757 1.00 65.44 C ATOM 934 C ASP A 63 11.606 9.567 -0.234 1.00 40.11 C ATOM 935 O ASP A 63 12.768 9.107 -0.179 1.00 52.33 O ATOM 936 CB ASP A 63 10.726 9.821 2.108 1.00 33.40 C ATOM 937 CG ASP A 63 10.658 11.336 2.036 1.00 40.44 C ATOM 938 OD1 ASP A 63 9.831 11.867 1.300 1.00 32.50 O ATOM 939 OD2 ASP A 63 11.378 12.008 2.813 1.00 1.21 O ATOM 0 H ASP A 63 11.211 7.413 1.774 1.00 4.42 H new ATOM 0 HA ASP A 63 9.572 9.365 0.359 1.00 65.44 H new ATOM 0 HB2 ASP A 63 9.953 9.467 2.790 1.00 33.40 H new ATOM 0 HB3 ASP A 63 11.686 9.533 2.536 1.00 33.40 H new ATOM 944 N LEU A 64 11.218 10.419 -1.145 1.00 61.45 N ATOM 945 CA LEU A 64 12.102 10.898 -2.171 1.00 50.42 C ATOM 946 C LEU A 64 12.063 12.421 -2.095 1.00 10.24 C ATOM 947 O LEU A 64 11.441 13.088 -2.942 1.00 12.41 O ATOM 948 CB LEU A 64 11.545 10.413 -3.545 1.00 72.11 C ATOM 949 CG LEU A 64 12.474 10.341 -4.786 1.00 61.13 C ATOM 950 CD1 LEU A 64 13.192 11.651 -5.100 1.00 41.14 C ATOM 951 CD2 LEU A 64 13.449 9.188 -4.672 1.00 15.41 C ATOM 0 H LEU A 64 10.274 10.802 -1.196 1.00 61.45 H new ATOM 0 HA LEU A 64 13.123 10.536 -2.052 1.00 50.42 H new ATOM 0 HB2 LEU A 64 11.133 9.415 -3.392 1.00 72.11 H new ATOM 0 HB3 LEU A 64 10.711 11.066 -3.804 1.00 72.11 H new ATOM 0 HG LEU A 64 11.818 10.159 -5.637 1.00 61.13 H new ATOM 0 HD11 LEU A 64 13.821 11.519 -5.980 1.00 41.14 H new ATOM 0 HD12 LEU A 64 12.456 12.432 -5.294 1.00 41.14 H new ATOM 0 HD13 LEU A 64 13.812 11.939 -4.251 1.00 41.14 H new ATOM 0 HD21 LEU A 64 14.087 9.162 -5.555 1.00 15.41 H new ATOM 0 HD22 LEU A 64 14.066 9.319 -3.783 1.00 15.41 H new ATOM 0 HD23 LEU A 64 12.897 8.251 -4.596 1.00 15.41 H new ATOM 963 N ASN A 65 12.739 12.964 -1.101 1.00 10.41 N ATOM 964 CA ASN A 65 12.768 14.405 -0.865 1.00 75.25 C ATOM 965 C ASN A 65 13.520 14.654 0.424 1.00 50.43 C ATOM 966 O ASN A 65 13.434 13.865 1.355 1.00 65.33 O ATOM 967 CB ASN A 65 11.327 14.955 -0.721 1.00 10.13 C ATOM 968 CG ASN A 65 11.211 16.456 -0.895 1.00 4.12 C ATOM 969 OD1 ASN A 65 12.099 17.240 -0.535 1.00 44.51 O ATOM 970 ND2 ASN A 65 10.123 16.871 -1.462 1.00 73.34 N ATOM 0 H ASN A 65 13.286 12.423 -0.431 1.00 10.41 H new ATOM 0 HA ASN A 65 13.253 14.905 -1.703 1.00 75.25 H new ATOM 0 HB2 ASN A 65 10.689 14.466 -1.457 1.00 10.13 H new ATOM 0 HB3 ASN A 65 10.944 14.685 0.263 1.00 10.13 H new ATOM 0 HD21 ASN A 65 9.980 17.868 -1.623 1.00 73.34 H new ATOM 0 HD22 ASN A 65 9.409 16.201 -1.748 1.00 73.34 H new ATOM 977 N SER A 66 14.292 15.686 0.469 1.00 23.42 N ATOM 978 CA SER A 66 15.001 16.024 1.666 1.00 42.11 C ATOM 979 C SER A 66 14.408 17.277 2.324 1.00 64.05 C ATOM 980 O SER A 66 14.017 17.254 3.498 1.00 11.22 O ATOM 981 CB SER A 66 16.486 16.193 1.347 1.00 72.05 C ATOM 982 OG SER A 66 16.670 17.036 0.212 1.00 11.24 O ATOM 0 H SER A 66 14.452 16.319 -0.315 1.00 23.42 H new ATOM 0 HA SER A 66 14.895 15.214 2.388 1.00 42.11 H new ATOM 0 HB2 SER A 66 17.001 16.619 2.208 1.00 72.05 H new ATOM 0 HB3 SER A 66 16.935 15.218 1.157 1.00 72.05 H new ATOM 0 HG SER A 66 17.628 17.131 0.027 1.00 11.24 H new ATOM 988 N THR A 67 14.293 18.337 1.545 1.00 51.14 N ATOM 989 CA THR A 67 13.838 19.636 2.009 1.00 54.43 C ATOM 990 C THR A 67 12.367 19.610 2.446 1.00 1.12 C ATOM 991 O THR A 67 11.994 20.227 3.439 1.00 4.11 O ATOM 992 CB THR A 67 14.045 20.655 0.879 1.00 54.04 C ATOM 993 OG1 THR A 67 15.381 20.497 0.377 1.00 24.30 O ATOM 994 CG2 THR A 67 13.867 22.085 1.370 1.00 50.25 C ATOM 0 H THR A 67 14.518 18.319 0.550 1.00 51.14 H new ATOM 0 HA THR A 67 14.419 19.918 2.887 1.00 54.43 H new ATOM 0 HB THR A 67 13.302 20.474 0.103 1.00 54.04 H new ATOM 0 HG1 THR A 67 15.536 21.138 -0.348 1.00 24.30 H new ATOM 0 HG21 THR A 67 14.021 22.776 0.541 1.00 50.25 H new ATOM 0 HG22 THR A 67 12.859 22.211 1.765 1.00 50.25 H new ATOM 0 HG23 THR A 67 14.593 22.293 2.156 1.00 50.25 H new ATOM 1002 N ASN A 68 11.568 18.859 1.733 1.00 31.01 N ATOM 1003 CA ASN A 68 10.136 18.760 2.001 1.00 4.33 C ATOM 1004 C ASN A 68 9.842 17.332 2.407 1.00 44.44 C ATOM 1005 O ASN A 68 8.724 16.839 2.243 1.00 42.12 O ATOM 1006 CB ASN A 68 9.337 19.112 0.725 1.00 72.13 C ATOM 1007 CG ASN A 68 9.623 20.502 0.168 1.00 24.43 C ATOM 1008 OD1 ASN A 68 8.947 21.474 0.499 1.00 54.12 O ATOM 1009 ND2 ASN A 68 10.622 20.612 -0.691 1.00 71.04 N ATOM 0 H ASN A 68 11.882 18.293 0.945 1.00 31.01 H new ATOM 0 HA ASN A 68 9.848 19.452 2.792 1.00 4.33 H new ATOM 0 HB2 ASN A 68 9.560 18.372 -0.044 1.00 72.13 H new ATOM 0 HB3 ASN A 68 8.272 19.033 0.944 1.00 72.13 H new ATOM 0 HD21 ASN A 68 10.848 21.520 -1.097 1.00 71.04 H new ATOM 0 HD22 ASN A 68 11.167 19.789 -0.948 1.00 71.04 H new ATOM 1016 N GLY A 69 10.875 16.697 2.972 1.00 0.01 N ATOM 1017 CA GLY A 69 10.872 15.284 3.340 1.00 4.15 C ATOM 1018 C GLY A 69 9.668 14.816 4.144 1.00 73.12 C ATOM 1019 O GLY A 69 9.054 15.582 4.907 1.00 5.31 O ATOM 0 H GLY A 69 11.755 17.165 3.189 1.00 0.01 H new ATOM 0 HA2 GLY A 69 10.931 14.690 2.428 1.00 4.15 H new ATOM 0 HA3 GLY A 69 11.774 15.075 3.915 1.00 4.15 H new ATOM 1023 N THR A 70 9.366 13.573 3.992 1.00 22.25 N ATOM 1024 CA THR A 70 8.230 12.953 4.600 1.00 12.53 C ATOM 1025 C THR A 70 8.549 12.409 6.021 1.00 13.21 C ATOM 1026 O THR A 70 9.686 12.000 6.324 1.00 43.43 O ATOM 1027 CB THR A 70 7.743 11.828 3.666 1.00 5.32 C ATOM 1028 OG1 THR A 70 7.510 12.387 2.356 1.00 34.41 O ATOM 1029 CG2 THR A 70 6.470 11.172 4.168 1.00 33.44 C ATOM 0 H THR A 70 9.920 12.934 3.422 1.00 22.25 H new ATOM 0 HA THR A 70 7.444 13.696 4.735 1.00 12.53 H new ATOM 0 HB THR A 70 8.513 11.057 3.633 1.00 5.32 H new ATOM 0 HG1 THR A 70 8.174 12.034 1.727 1.00 34.41 H new ATOM 0 HG21 THR A 70 6.168 10.386 3.475 1.00 33.44 H new ATOM 0 HG22 THR A 70 6.648 10.739 5.153 1.00 33.44 H new ATOM 0 HG23 THR A 70 5.679 11.919 4.237 1.00 33.44 H new ATOM 1037 N THR A 71 7.551 12.451 6.875 1.00 1.24 N ATOM 1038 CA THR A 71 7.624 11.970 8.223 1.00 13.54 C ATOM 1039 C THR A 71 6.636 10.832 8.441 1.00 2.54 C ATOM 1040 O THR A 71 5.573 10.801 7.822 1.00 11.53 O ATOM 1041 CB THR A 71 7.328 13.110 9.225 1.00 34.14 C ATOM 1042 OG1 THR A 71 6.299 13.989 8.721 1.00 3.13 O ATOM 1043 CG2 THR A 71 8.563 13.898 9.524 1.00 60.40 C ATOM 0 H THR A 71 6.637 12.836 6.635 1.00 1.24 H new ATOM 0 HA THR A 71 8.635 11.601 8.393 1.00 13.54 H new ATOM 0 HB THR A 71 6.975 12.649 10.147 1.00 34.14 H new ATOM 0 HG1 THR A 71 6.711 14.712 8.204 1.00 3.13 H new ATOM 0 HG21 THR A 71 8.325 14.693 10.231 1.00 60.40 H new ATOM 0 HG22 THR A 71 9.318 13.241 9.957 1.00 60.40 H new ATOM 0 HG23 THR A 71 8.948 14.335 8.603 1.00 60.40 H new ATOM 1051 N VAL A 72 7.005 9.896 9.282 1.00 2.24 N ATOM 1052 CA VAL A 72 6.146 8.792 9.661 1.00 20.02 C ATOM 1053 C VAL A 72 5.993 8.846 11.169 1.00 52.51 C ATOM 1054 O VAL A 72 6.982 9.007 11.892 1.00 35.34 O ATOM 1055 CB VAL A 72 6.708 7.396 9.202 1.00 23.33 C ATOM 1056 CG1 VAL A 72 6.817 7.344 7.685 1.00 50.40 C ATOM 1057 CG2 VAL A 72 8.073 7.130 9.822 1.00 51.34 C ATOM 0 H VAL A 72 7.921 9.876 9.730 1.00 2.24 H new ATOM 0 HA VAL A 72 5.183 8.894 9.161 1.00 20.02 H new ATOM 0 HB VAL A 72 6.015 6.626 9.540 1.00 23.33 H new ATOM 0 HG11 VAL A 72 7.207 6.373 7.381 1.00 50.40 H new ATOM 0 HG12 VAL A 72 5.831 7.493 7.244 1.00 50.40 H new ATOM 0 HG13 VAL A 72 7.491 8.129 7.341 1.00 50.40 H new ATOM 0 HG21 VAL A 72 8.441 6.159 9.490 1.00 51.34 H new ATOM 0 HG22 VAL A 72 8.771 7.908 9.512 1.00 51.34 H new ATOM 0 HG23 VAL A 72 7.986 7.132 10.909 1.00 51.34 H new ATOM 1067 N ASN A 73 4.769 8.843 11.628 1.00 53.12 N ATOM 1068 CA ASN A 73 4.425 8.923 13.054 1.00 63.24 C ATOM 1069 C ASN A 73 5.018 10.188 13.722 1.00 61.33 C ATOM 1070 O ASN A 73 5.264 10.189 14.942 1.00 12.21 O ATOM 1071 CB ASN A 73 4.915 7.679 13.801 1.00 53.10 C ATOM 1072 CG ASN A 73 3.811 6.970 14.546 1.00 21.13 C ATOM 1073 OD1 ASN A 73 3.497 7.299 15.697 1.00 41.00 O ATOM 1074 ND2 ASN A 73 3.249 5.973 13.938 1.00 3.34 N ATOM 0 H ASN A 73 3.953 8.784 11.019 1.00 53.12 H new ATOM 0 HA ASN A 73 3.338 8.981 13.114 1.00 63.24 H new ATOM 0 HB2 ASN A 73 5.368 6.989 13.089 1.00 53.10 H new ATOM 0 HB3 ASN A 73 5.695 7.968 14.506 1.00 53.10 H new ATOM 0 HD21 ASN A 73 2.523 5.432 14.409 1.00 3.34 H new ATOM 0 HD22 ASN A 73 3.532 5.729 12.989 1.00 3.34 H new ATOM 1081 N ASN A 74 5.234 11.257 12.913 1.00 43.20 N ATOM 1082 CA ASN A 74 5.809 12.558 13.358 1.00 4.45 C ATOM 1083 C ASN A 74 7.332 12.413 13.614 1.00 51.23 C ATOM 1084 O ASN A 74 7.964 13.191 14.338 1.00 72.21 O ATOM 1085 CB ASN A 74 5.030 13.148 14.587 1.00 43.24 C ATOM 1086 CG ASN A 74 5.475 14.555 15.031 1.00 13.11 C ATOM 1087 OD1 ASN A 74 5.938 15.373 14.229 1.00 3.34 O ATOM 1088 ND2 ASN A 74 5.319 14.847 16.306 1.00 15.00 N ATOM 0 H ASN A 74 5.011 11.241 11.918 1.00 43.20 H new ATOM 0 HA ASN A 74 5.686 13.287 12.557 1.00 4.45 H new ATOM 0 HB2 ASN A 74 3.968 13.180 14.342 1.00 43.24 H new ATOM 0 HB3 ASN A 74 5.142 12.466 15.430 1.00 43.24 H new ATOM 0 HD21 ASN A 74 5.583 15.769 16.654 1.00 15.00 H new ATOM 0 HD22 ASN A 74 4.934 14.151 16.945 1.00 15.00 H new ATOM 1095 N ALA A 75 7.916 11.409 12.990 1.00 33.02 N ATOM 1096 CA ALA A 75 9.343 11.173 13.048 1.00 0.22 C ATOM 1097 C ALA A 75 9.904 11.161 11.618 1.00 21.34 C ATOM 1098 O ALA A 75 9.296 10.566 10.722 1.00 44.13 O ATOM 1099 CB ALA A 75 9.634 9.846 13.742 1.00 53.12 C ATOM 0 H ALA A 75 7.408 10.729 12.424 1.00 33.02 H new ATOM 0 HA ALA A 75 9.821 11.967 13.622 1.00 0.22 H new ATOM 0 HB1 ALA A 75 10.711 9.683 13.778 1.00 53.12 H new ATOM 0 HB2 ALA A 75 9.237 9.871 14.757 1.00 53.12 H new ATOM 0 HB3 ALA A 75 9.162 9.034 13.188 1.00 53.12 H new ATOM 1105 N PRO A 76 11.027 11.846 11.353 1.00 20.10 N ATOM 1106 CA PRO A 76 11.620 11.873 10.023 1.00 12.25 C ATOM 1107 C PRO A 76 12.402 10.593 9.722 1.00 1.12 C ATOM 1108 O PRO A 76 13.120 10.066 10.592 1.00 20.11 O ATOM 1109 CB PRO A 76 12.560 13.094 10.055 1.00 63.54 C ATOM 1110 CG PRO A 76 12.373 13.721 11.405 1.00 22.40 C ATOM 1111 CD PRO A 76 11.803 12.658 12.296 1.00 32.25 C ATOM 0 HA PRO A 76 10.863 11.940 9.241 1.00 12.25 H new ATOM 0 HB2 PRO A 76 13.597 12.793 9.904 1.00 63.54 H new ATOM 0 HB3 PRO A 76 12.314 13.798 9.260 1.00 63.54 H new ATOM 0 HG2 PRO A 76 13.322 14.087 11.797 1.00 22.40 H new ATOM 0 HG3 PRO A 76 11.701 14.577 11.345 1.00 22.40 H new ATOM 0 HD2 PRO A 76 12.584 12.077 12.787 1.00 32.25 H new ATOM 0 HD3 PRO A 76 11.176 13.079 13.082 1.00 32.25 H new ATOM 1119 N VAL A 77 12.236 10.088 8.516 1.00 2.05 N ATOM 1120 CA VAL A 77 12.910 8.882 8.042 1.00 32.52 C ATOM 1121 C VAL A 77 13.143 9.028 6.552 1.00 22.52 C ATOM 1122 O VAL A 77 12.634 9.968 5.935 1.00 51.44 O ATOM 1123 CB VAL A 77 12.056 7.580 8.260 1.00 14.45 C ATOM 1124 CG1 VAL A 77 11.832 7.265 9.733 1.00 42.24 C ATOM 1125 CG2 VAL A 77 10.723 7.672 7.519 1.00 72.34 C ATOM 0 H VAL A 77 11.619 10.507 7.820 1.00 2.05 H new ATOM 0 HA VAL A 77 13.836 8.780 8.608 1.00 32.52 H new ATOM 0 HB VAL A 77 12.633 6.754 7.844 1.00 14.45 H new ATOM 0 HG11 VAL A 77 11.237 6.356 9.824 1.00 42.24 H new ATOM 0 HG12 VAL A 77 12.794 7.119 10.224 1.00 42.24 H new ATOM 0 HG13 VAL A 77 11.305 8.093 10.206 1.00 42.24 H new ATOM 0 HG21 VAL A 77 10.151 6.759 7.685 1.00 72.34 H new ATOM 0 HG22 VAL A 77 10.159 8.527 7.890 1.00 72.34 H new ATOM 0 HG23 VAL A 77 10.908 7.795 6.452 1.00 72.34 H new ATOM 1135 N GLN A 78 13.904 8.136 5.982 1.00 70.34 N ATOM 1136 CA GLN A 78 14.054 8.107 4.552 1.00 32.32 C ATOM 1137 C GLN A 78 13.214 6.985 3.974 1.00 64.02 C ATOM 1138 O GLN A 78 12.691 7.091 2.862 1.00 25.33 O ATOM 1139 CB GLN A 78 15.519 8.009 4.095 1.00 55.42 C ATOM 1140 CG GLN A 78 16.368 9.218 4.480 1.00 4.34 C ATOM 1141 CD GLN A 78 17.733 9.233 3.812 1.00 44.44 C ATOM 1142 OE1 GLN A 78 17.915 8.731 2.699 1.00 11.13 O ATOM 1143 NE2 GLN A 78 18.695 9.825 4.464 1.00 10.24 N ATOM 0 H GLN A 78 14.430 7.420 6.484 1.00 70.34 H new ATOM 0 HA GLN A 78 13.695 9.062 4.167 1.00 32.32 H new ATOM 0 HB2 GLN A 78 15.965 7.112 4.525 1.00 55.42 H new ATOM 0 HB3 GLN A 78 15.545 7.889 3.012 1.00 55.42 H new ATOM 0 HG2 GLN A 78 15.832 10.129 4.215 1.00 4.34 H new ATOM 0 HG3 GLN A 78 16.501 9.230 5.562 1.00 4.34 H new ATOM 0 HE21 GLN A 78 18.514 10.231 5.382 1.00 10.24 H new ATOM 0 HE22 GLN A 78 19.628 9.882 4.056 1.00 10.24 H new ATOM 1152 N GLU A 79 13.057 5.922 4.730 1.00 65.21 N ATOM 1153 CA GLU A 79 12.261 4.807 4.300 1.00 12.10 C ATOM 1154 C GLU A 79 11.663 4.098 5.503 1.00 20.53 C ATOM 1155 O GLU A 79 12.277 4.035 6.571 1.00 0.22 O ATOM 1156 CB GLU A 79 13.075 3.874 3.402 1.00 33.14 C ATOM 1157 CG GLU A 79 14.322 3.314 4.041 1.00 34.44 C ATOM 1158 CD GLU A 79 15.258 2.738 3.027 1.00 5.24 C ATOM 1159 OE1 GLU A 79 14.951 1.671 2.444 1.00 54.31 O ATOM 1160 OE2 GLU A 79 16.313 3.356 2.772 1.00 30.45 O ATOM 0 H GLU A 79 13.476 5.811 5.653 1.00 65.21 H new ATOM 0 HA GLU A 79 11.429 5.167 3.695 1.00 12.10 H new ATOM 0 HB2 GLU A 79 12.439 3.045 3.091 1.00 33.14 H new ATOM 0 HB3 GLU A 79 13.357 4.416 2.499 1.00 33.14 H new ATOM 0 HG2 GLU A 79 14.830 4.102 4.598 1.00 34.44 H new ATOM 0 HG3 GLU A 79 14.046 2.543 4.760 1.00 34.44 H new ATOM 1167 N TRP A 80 10.483 3.601 5.328 1.00 11.11 N ATOM 1168 CA TRP A 80 9.707 3.010 6.383 1.00 14.31 C ATOM 1169 C TRP A 80 8.805 1.955 5.779 1.00 30.00 C ATOM 1170 O TRP A 80 8.498 2.009 4.602 1.00 72.01 O ATOM 1171 CB TRP A 80 8.891 4.145 7.057 1.00 70.50 C ATOM 1172 CG TRP A 80 7.910 3.761 8.119 1.00 4.33 C ATOM 1173 CD1 TRP A 80 6.569 3.570 7.958 1.00 74.41 C ATOM 1174 CD2 TRP A 80 8.172 3.590 9.510 1.00 34.22 C ATOM 1175 NE1 TRP A 80 5.993 3.276 9.159 1.00 74.45 N ATOM 1176 CE2 TRP A 80 6.947 3.284 10.125 1.00 61.34 C ATOM 1177 CE3 TRP A 80 9.322 3.660 10.297 1.00 10.14 C ATOM 1178 CZ2 TRP A 80 6.834 3.054 11.485 1.00 41.23 C ATOM 1179 CZ3 TRP A 80 9.205 3.435 11.651 1.00 51.15 C ATOM 1180 CH2 TRP A 80 7.968 3.134 12.228 1.00 41.44 C ATOM 0 H TRP A 80 10.013 3.592 4.423 1.00 11.11 H new ATOM 0 HA TRP A 80 10.333 2.530 7.135 1.00 14.31 H new ATOM 0 HB2 TRP A 80 9.597 4.852 7.493 1.00 70.50 H new ATOM 0 HB3 TRP A 80 8.348 4.677 6.276 1.00 70.50 H new ATOM 0 HD1 TRP A 80 6.041 3.641 7.018 1.00 74.41 H new ATOM 0 HE1 TRP A 80 5.003 3.081 9.308 1.00 74.45 H new ATOM 0 HE3 TRP A 80 10.281 3.885 9.855 1.00 10.14 H new ATOM 0 HZ2 TRP A 80 5.882 2.820 11.938 1.00 41.23 H new ATOM 0 HZ3 TRP A 80 10.083 3.492 12.277 1.00 51.15 H new ATOM 0 HH2 TRP A 80 7.913 2.961 13.293 1.00 41.44 H new ATOM 1191 N GLN A 81 8.454 0.979 6.533 1.00 20.11 N ATOM 1192 CA GLN A 81 7.514 0.003 6.073 1.00 53.22 C ATOM 1193 C GLN A 81 6.201 0.280 6.756 1.00 22.10 C ATOM 1194 O GLN A 81 6.143 0.357 7.983 1.00 23.41 O ATOM 1195 CB GLN A 81 7.994 -1.460 6.270 1.00 1.33 C ATOM 1196 CG GLN A 81 8.270 -1.894 7.703 1.00 24.33 C ATOM 1197 CD GLN A 81 9.475 -1.215 8.333 1.00 55.53 C ATOM 1198 OE1 GLN A 81 9.357 -0.156 8.966 1.00 41.22 O ATOM 1199 NE2 GLN A 81 10.623 -1.795 8.167 1.00 61.21 N ATOM 0 H GLN A 81 8.802 0.827 7.480 1.00 20.11 H new ATOM 0 HA GLN A 81 7.401 0.095 4.993 1.00 53.22 H new ATOM 0 HB2 GLN A 81 7.240 -2.126 5.850 1.00 1.33 H new ATOM 0 HB3 GLN A 81 8.905 -1.602 5.688 1.00 1.33 H new ATOM 0 HG2 GLN A 81 7.389 -1.686 8.311 1.00 24.33 H new ATOM 0 HG3 GLN A 81 8.423 -2.973 7.722 1.00 24.33 H new ATOM 0 HE21 GLN A 81 10.683 -2.666 7.640 1.00 61.21 H new ATOM 0 HE22 GLN A 81 11.466 -1.380 8.563 1.00 61.21 H new ATOM 1208 N LEU A 82 5.166 0.465 5.966 1.00 52.04 N ATOM 1209 CA LEU A 82 3.857 0.886 6.466 1.00 20.11 C ATOM 1210 C LEU A 82 3.287 -0.027 7.530 1.00 11.22 C ATOM 1211 O LEU A 82 3.575 -1.229 7.581 1.00 62.51 O ATOM 1212 CB LEU A 82 2.840 1.031 5.330 1.00 13.44 C ATOM 1213 CG LEU A 82 3.179 2.054 4.246 1.00 23.10 C ATOM 1214 CD1 LEU A 82 2.013 2.259 3.291 1.00 73.10 C ATOM 1215 CD2 LEU A 82 3.572 3.352 4.871 1.00 50.54 C ATOM 0 H LEU A 82 5.199 0.330 4.956 1.00 52.04 H new ATOM 0 HA LEU A 82 4.035 1.856 6.930 1.00 20.11 H new ATOM 0 HB2 LEU A 82 2.716 0.058 4.855 1.00 13.44 H new ATOM 0 HB3 LEU A 82 1.877 1.299 5.765 1.00 13.44 H new ATOM 0 HG LEU A 82 4.018 1.667 3.668 1.00 23.10 H new ATOM 0 HD11 LEU A 82 2.288 2.992 2.533 1.00 73.10 H new ATOM 0 HD12 LEU A 82 1.767 1.313 2.808 1.00 73.10 H new ATOM 0 HD13 LEU A 82 1.147 2.619 3.846 1.00 73.10 H new ATOM 0 HD21 LEU A 82 3.812 4.074 4.090 1.00 50.54 H new ATOM 0 HD22 LEU A 82 2.747 3.730 5.474 1.00 50.54 H new ATOM 0 HD23 LEU A 82 4.445 3.201 5.506 1.00 50.54 H new ATOM 1227 N ALA A 83 2.500 0.569 8.378 1.00 14.42 N ATOM 1228 CA ALA A 83 1.831 -0.096 9.444 1.00 21.12 C ATOM 1229 C ALA A 83 0.448 0.507 9.550 1.00 12.33 C ATOM 1230 O ALA A 83 0.254 1.682 9.182 1.00 4.44 O ATOM 1231 CB ALA A 83 2.601 0.091 10.743 1.00 44.15 C ATOM 0 H ALA A 83 2.303 1.569 8.339 1.00 14.42 H new ATOM 0 HA ALA A 83 1.764 -1.167 9.255 1.00 21.12 H new ATOM 0 HB1 ALA A 83 2.080 -0.422 11.552 1.00 44.15 H new ATOM 0 HB2 ALA A 83 3.603 -0.325 10.635 1.00 44.15 H new ATOM 0 HB3 ALA A 83 2.672 1.154 10.974 1.00 44.15 H new ATOM 1237 N ASP A 84 -0.500 -0.272 9.994 1.00 73.01 N ATOM 1238 CA ASP A 84 -1.878 0.183 10.126 1.00 4.20 C ATOM 1239 C ASP A 84 -2.006 1.195 11.243 1.00 4.03 C ATOM 1240 O ASP A 84 -1.763 0.886 12.418 1.00 21.01 O ATOM 1241 CB ASP A 84 -2.824 -0.990 10.378 1.00 61.31 C ATOM 1242 CG ASP A 84 -4.265 -0.554 10.540 1.00 3.20 C ATOM 1243 OD1 ASP A 84 -4.960 -0.389 9.526 1.00 13.32 O ATOM 1244 OD2 ASP A 84 -4.733 -0.392 11.688 1.00 31.42 O ATOM 0 H ASP A 84 -0.351 -1.241 10.277 1.00 73.01 H new ATOM 0 HA ASP A 84 -2.158 0.658 9.186 1.00 4.20 H new ATOM 0 HB2 ASP A 84 -2.753 -1.694 9.549 1.00 61.31 H new ATOM 0 HB3 ASP A 84 -2.506 -1.521 11.275 1.00 61.31 H new ATOM 1249 N GLY A 85 -2.359 2.394 10.882 1.00 53.21 N ATOM 1250 CA GLY A 85 -2.543 3.427 11.852 1.00 60.04 C ATOM 1251 C GLY A 85 -1.362 4.360 11.941 1.00 62.25 C ATOM 1252 O GLY A 85 -1.288 5.175 12.863 1.00 35.44 O ATOM 0 H GLY A 85 -2.525 2.679 9.917 1.00 53.21 H new ATOM 0 HA2 GLY A 85 -3.435 4.000 11.601 1.00 60.04 H new ATOM 0 HA3 GLY A 85 -2.718 2.976 12.828 1.00 60.04 H new ATOM 1256 N ASP A 86 -0.425 4.251 11.009 1.00 20.45 N ATOM 1257 CA ASP A 86 0.715 5.157 11.036 1.00 41.54 C ATOM 1258 C ASP A 86 0.305 6.482 10.424 1.00 13.30 C ATOM 1259 O ASP A 86 -0.523 6.522 9.486 1.00 4.14 O ATOM 1260 CB ASP A 86 1.951 4.602 10.305 1.00 3.53 C ATOM 1261 CG ASP A 86 3.210 5.354 10.700 1.00 72.10 C ATOM 1262 OD1 ASP A 86 3.456 6.444 10.190 1.00 61.31 O ATOM 1263 OD2 ASP A 86 3.923 4.857 11.595 1.00 3.53 O ATOM 0 H ASP A 86 -0.428 3.570 10.250 1.00 20.45 H new ATOM 0 HA ASP A 86 1.006 5.283 12.079 1.00 41.54 H new ATOM 0 HB2 ASP A 86 2.069 3.544 10.538 1.00 3.53 H new ATOM 0 HB3 ASP A 86 1.803 4.677 9.228 1.00 3.53 H new ATOM 1268 N VAL A 87 0.835 7.543 10.958 1.00 31.23 N ATOM 1269 CA VAL A 87 0.524 8.862 10.498 1.00 51.41 C ATOM 1270 C VAL A 87 1.663 9.341 9.640 1.00 41.54 C ATOM 1271 O VAL A 87 2.739 9.606 10.138 1.00 21.25 O ATOM 1272 CB VAL A 87 0.363 9.834 11.694 1.00 55.04 C ATOM 1273 CG1 VAL A 87 0.017 11.234 11.214 1.00 20.15 C ATOM 1274 CG2 VAL A 87 -0.696 9.326 12.665 1.00 61.13 C ATOM 0 H VAL A 87 1.500 7.516 11.731 1.00 31.23 H new ATOM 0 HA VAL A 87 -0.410 8.836 9.937 1.00 51.41 H new ATOM 0 HB VAL A 87 1.317 9.880 12.219 1.00 55.04 H new ATOM 0 HG11 VAL A 87 -0.091 11.897 12.073 1.00 20.15 H new ATOM 0 HG12 VAL A 87 0.813 11.604 10.567 1.00 20.15 H new ATOM 0 HG13 VAL A 87 -0.920 11.207 10.657 1.00 20.15 H new ATOM 0 HG21 VAL A 87 -0.792 10.024 13.497 1.00 61.13 H new ATOM 0 HG22 VAL A 87 -1.653 9.242 12.149 1.00 61.13 H new ATOM 0 HG23 VAL A 87 -0.402 8.348 13.045 1.00 61.13 H new ATOM 1284 N ILE A 88 1.433 9.500 8.389 1.00 71.11 N ATOM 1285 CA ILE A 88 2.490 9.894 7.510 1.00 55.23 C ATOM 1286 C ILE A 88 2.252 11.293 7.027 1.00 0.21 C ATOM 1287 O ILE A 88 1.173 11.615 6.560 1.00 12.52 O ATOM 1288 CB ILE A 88 2.619 8.919 6.325 1.00 65.11 C ATOM 1289 CG1 ILE A 88 2.943 7.524 6.850 1.00 34.12 C ATOM 1290 CG2 ILE A 88 3.677 9.386 5.324 1.00 22.31 C ATOM 1291 CD1 ILE A 88 3.155 6.509 5.775 1.00 32.55 C ATOM 0 H ILE A 88 0.526 9.366 7.943 1.00 71.11 H new ATOM 0 HA ILE A 88 3.430 9.866 8.061 1.00 55.23 H new ATOM 0 HB ILE A 88 1.668 8.891 5.793 1.00 65.11 H new ATOM 0 HG12 ILE A 88 3.839 7.578 7.468 1.00 34.12 H new ATOM 0 HG13 ILE A 88 2.130 7.191 7.496 1.00 34.12 H new ATOM 0 HG21 ILE A 88 3.740 8.673 4.502 1.00 22.31 H new ATOM 0 HG22 ILE A 88 3.402 10.366 4.934 1.00 22.31 H new ATOM 0 HG23 ILE A 88 4.645 9.452 5.822 1.00 22.31 H new ATOM 0 HD11 ILE A 88 3.381 5.543 6.226 1.00 32.55 H new ATOM 0 HD12 ILE A 88 2.252 6.425 5.171 1.00 32.55 H new ATOM 0 HD13 ILE A 88 3.987 6.817 5.142 1.00 32.55 H new ATOM 1303 N ARG A 89 3.226 12.126 7.170 1.00 33.44 N ATOM 1304 CA ARG A 89 3.102 13.470 6.734 1.00 71.31 C ATOM 1305 C ARG A 89 4.173 13.772 5.720 1.00 50.43 C ATOM 1306 O ARG A 89 5.345 13.671 6.004 1.00 24.23 O ATOM 1307 CB ARG A 89 3.189 14.428 7.910 1.00 12.10 C ATOM 1308 CG ARG A 89 3.030 15.888 7.528 1.00 2.34 C ATOM 1309 CD ARG A 89 3.274 16.786 8.713 1.00 71.54 C ATOM 1310 NE ARG A 89 4.629 16.608 9.254 1.00 75.35 N ATOM 1311 CZ ARG A 89 5.227 17.450 10.093 1.00 4.25 C ATOM 1312 NH1 ARG A 89 4.605 18.563 10.483 1.00 14.55 N ATOM 1313 NH2 ARG A 89 6.447 17.183 10.535 1.00 1.54 N ATOM 0 H ARG A 89 4.126 11.894 7.591 1.00 33.44 H new ATOM 0 HA ARG A 89 2.125 13.603 6.269 1.00 71.31 H new ATOM 0 HB2 ARG A 89 2.419 14.167 8.636 1.00 12.10 H new ATOM 0 HB3 ARG A 89 4.151 14.295 8.404 1.00 12.10 H new ATOM 0 HG2 ARG A 89 3.728 16.137 6.729 1.00 2.34 H new ATOM 0 HG3 ARG A 89 2.026 16.058 7.139 1.00 2.34 H new ATOM 0 HD2 ARG A 89 3.133 17.826 8.418 1.00 71.54 H new ATOM 0 HD3 ARG A 89 2.540 16.572 9.490 1.00 71.54 H new ATOM 0 HE ARG A 89 5.149 15.779 8.965 1.00 75.35 H new ATOM 0 HH11 ARG A 89 3.668 18.771 10.138 1.00 14.55 H new ATOM 0 HH12 ARG A 89 5.066 19.206 11.126 1.00 14.55 H new ATOM 0 HH21 ARG A 89 6.925 16.334 10.232 1.00 1.54 H new ATOM 0 HH22 ARG A 89 6.909 17.826 11.178 1.00 1.54 H new ATOM 1327 N LEU A 90 3.759 14.118 4.558 1.00 14.11 N ATOM 1328 CA LEU A 90 4.651 14.486 3.494 1.00 34.04 C ATOM 1329 C LEU A 90 4.399 15.937 3.215 1.00 2.31 C ATOM 1330 O LEU A 90 3.250 16.312 3.156 1.00 31.02 O ATOM 1331 CB LEU A 90 4.488 13.594 2.225 1.00 61.22 C ATOM 1332 CG LEU A 90 3.127 13.518 1.494 1.00 21.05 C ATOM 1333 CD1 LEU A 90 3.325 12.819 0.163 1.00 64.35 C ATOM 1334 CD2 LEU A 90 2.080 12.740 2.297 1.00 14.24 C ATOM 0 H LEU A 90 2.772 14.158 4.302 1.00 14.11 H new ATOM 0 HA LEU A 90 5.686 14.324 3.794 1.00 34.04 H new ATOM 0 HB2 LEU A 90 5.227 13.930 1.497 1.00 61.22 H new ATOM 0 HB3 LEU A 90 4.759 12.577 2.508 1.00 61.22 H new ATOM 0 HG LEU A 90 2.765 14.537 1.362 1.00 21.05 H new ATOM 0 HD11 LEU A 90 2.372 12.759 -0.362 1.00 64.35 H new ATOM 0 HD12 LEU A 90 4.037 13.381 -0.441 1.00 64.35 H new ATOM 0 HD13 LEU A 90 3.709 11.813 0.334 1.00 64.35 H new ATOM 0 HD21 LEU A 90 1.142 12.714 1.743 1.00 14.24 H new ATOM 0 HD22 LEU A 90 2.432 11.722 2.463 1.00 14.24 H new ATOM 0 HD23 LEU A 90 1.921 13.230 3.258 1.00 14.24 H new ATOM 1346 N GLY A 91 5.477 16.721 3.001 1.00 60.42 N ATOM 1347 CA GLY A 91 5.455 18.216 2.989 1.00 33.41 C ATOM 1348 C GLY A 91 4.115 18.864 3.368 1.00 54.42 C ATOM 1349 O GLY A 91 3.284 19.206 2.504 1.00 42.10 O ATOM 0 H GLY A 91 6.406 16.336 2.828 1.00 60.42 H new ATOM 0 HA2 GLY A 91 6.220 18.578 3.676 1.00 33.41 H new ATOM 0 HA3 GLY A 91 5.734 18.557 1.992 1.00 33.41 H new ATOM 1353 N HIS A 92 3.942 19.036 4.688 1.00 30.15 N ATOM 1354 CA HIS A 92 2.753 19.644 5.332 1.00 5.14 C ATOM 1355 C HIS A 92 1.395 19.004 4.983 1.00 31.23 C ATOM 1356 O HIS A 92 0.351 19.584 5.253 1.00 61.52 O ATOM 1357 CB HIS A 92 2.731 21.164 5.155 1.00 45.21 C ATOM 1358 CG HIS A 92 3.811 21.840 5.934 1.00 73.44 C ATOM 1359 ND1 HIS A 92 3.621 22.396 7.173 1.00 60.34 N ATOM 1360 CD2 HIS A 92 5.122 22.013 5.645 1.00 41.04 C ATOM 1361 CE1 HIS A 92 4.786 22.874 7.596 1.00 62.01 C ATOM 1362 NE2 HIS A 92 5.738 22.667 6.705 1.00 13.22 N ATOM 0 H HIS A 92 4.648 18.747 5.366 1.00 30.15 H new ATOM 0 HA HIS A 92 2.880 19.415 6.390 1.00 5.14 H new ATOM 0 HB2 HIS A 92 2.842 21.406 4.098 1.00 45.21 H new ATOM 0 HB3 HIS A 92 1.762 21.551 5.470 1.00 45.21 H new ATOM 0 HD2 HIS A 92 5.611 21.694 4.736 1.00 41.04 H new ATOM 0 HE1 HIS A 92 4.935 23.368 8.545 1.00 62.01 H new ATOM 0 HE2 HIS A 92 6.720 22.932 6.779 1.00 13.22 H new ATOM 1370 N SER A 93 1.408 17.812 4.446 1.00 33.15 N ATOM 1371 CA SER A 93 0.193 17.103 4.126 1.00 14.20 C ATOM 1372 C SER A 93 0.204 15.750 4.830 1.00 23.42 C ATOM 1373 O SER A 93 1.175 15.012 4.729 1.00 60.43 O ATOM 1374 CB SER A 93 0.117 16.925 2.616 1.00 4.30 C ATOM 1375 OG SER A 93 0.245 18.192 1.975 1.00 32.43 O ATOM 0 H SER A 93 2.262 17.303 4.217 1.00 33.15 H new ATOM 0 HA SER A 93 -0.680 17.663 4.463 1.00 14.20 H new ATOM 0 HB2 SER A 93 0.908 16.255 2.279 1.00 4.30 H new ATOM 0 HB3 SER A 93 -0.831 16.462 2.342 1.00 4.30 H new ATOM 0 HG SER A 93 1.182 18.479 2.001 1.00 32.43 H new ATOM 1381 N GLU A 94 -0.835 15.428 5.555 1.00 54.32 N ATOM 1382 CA GLU A 94 -0.845 14.176 6.283 1.00 24.24 C ATOM 1383 C GLU A 94 -1.832 13.168 5.723 1.00 22.33 C ATOM 1384 O GLU A 94 -2.944 13.513 5.331 1.00 42.52 O ATOM 1385 CB GLU A 94 -0.991 14.389 7.792 1.00 35.14 C ATOM 1386 CG GLU A 94 -2.169 15.250 8.221 1.00 52.13 C ATOM 1387 CD GLU A 94 -2.176 15.464 9.711 1.00 33.24 C ATOM 1388 OE1 GLU A 94 -1.277 16.161 10.225 1.00 73.40 O ATOM 1389 OE2 GLU A 94 -3.054 14.918 10.413 1.00 43.30 O ATOM 0 H GLU A 94 -1.673 16.000 5.660 1.00 54.32 H new ATOM 0 HA GLU A 94 0.136 13.725 6.132 1.00 24.24 H new ATOM 0 HB2 GLU A 94 -1.082 13.414 8.272 1.00 35.14 H new ATOM 0 HB3 GLU A 94 -0.075 14.845 8.167 1.00 35.14 H new ATOM 0 HG2 GLU A 94 -2.122 16.213 7.713 1.00 52.13 H new ATOM 0 HG3 GLU A 94 -3.101 14.774 7.915 1.00 52.13 H new ATOM 1396 N ILE A 95 -1.399 11.937 5.683 1.00 31.14 N ATOM 1397 CA ILE A 95 -2.143 10.837 5.139 1.00 11.34 C ATOM 1398 C ILE A 95 -2.181 9.726 6.216 1.00 33.43 C ATOM 1399 O ILE A 95 -1.205 9.548 6.971 1.00 30.41 O ATOM 1400 CB ILE A 95 -1.428 10.320 3.820 1.00 52.11 C ATOM 1401 CG1 ILE A 95 -2.277 9.328 3.039 1.00 54.01 C ATOM 1402 CG2 ILE A 95 -0.053 9.731 4.086 1.00 11.51 C ATOM 1403 CD1 ILE A 95 -3.423 9.970 2.306 1.00 74.30 C ATOM 0 H ILE A 95 -0.484 11.664 6.042 1.00 31.14 H new ATOM 0 HA ILE A 95 -3.158 11.135 4.877 1.00 11.34 H new ATOM 0 HB ILE A 95 -1.299 11.211 3.205 1.00 52.11 H new ATOM 0 HG12 ILE A 95 -1.644 8.805 2.322 1.00 54.01 H new ATOM 0 HG13 ILE A 95 -2.669 8.577 3.725 1.00 54.01 H new ATOM 0 HG21 ILE A 95 0.387 9.395 3.147 1.00 11.51 H new ATOM 0 HG22 ILE A 95 0.587 10.490 4.535 1.00 11.51 H new ATOM 0 HG23 ILE A 95 -0.145 8.885 4.767 1.00 11.51 H new ATOM 0 HD11 ILE A 95 -3.986 9.206 1.771 1.00 74.30 H new ATOM 0 HD12 ILE A 95 -4.078 10.470 3.020 1.00 74.30 H new ATOM 0 HD13 ILE A 95 -3.037 10.701 1.595 1.00 74.30 H new ATOM 1415 N ILE A 96 -3.290 9.031 6.337 1.00 63.41 N ATOM 1416 CA ILE A 96 -3.399 7.964 7.315 1.00 25.24 C ATOM 1417 C ILE A 96 -3.365 6.638 6.590 1.00 33.41 C ATOM 1418 O ILE A 96 -4.024 6.470 5.571 1.00 15.12 O ATOM 1419 CB ILE A 96 -4.706 8.084 8.160 1.00 55.14 C ATOM 1420 CG1 ILE A 96 -4.751 9.430 8.907 1.00 2.31 C ATOM 1421 CG2 ILE A 96 -4.860 6.917 9.144 1.00 24.43 C ATOM 1422 CD1 ILE A 96 -3.616 9.654 9.895 1.00 72.43 C ATOM 0 H ILE A 96 -4.127 9.182 5.775 1.00 63.41 H new ATOM 0 HA ILE A 96 -2.561 8.038 8.008 1.00 25.24 H new ATOM 0 HB ILE A 96 -5.545 8.041 7.466 1.00 55.14 H new ATOM 0 HG12 ILE A 96 -4.739 10.236 8.174 1.00 2.31 H new ATOM 0 HG13 ILE A 96 -5.698 9.500 9.442 1.00 2.31 H new ATOM 0 HG21 ILE A 96 -5.782 7.039 9.712 1.00 24.43 H new ATOM 0 HG22 ILE A 96 -4.896 5.978 8.592 1.00 24.43 H new ATOM 0 HG23 ILE A 96 -4.012 6.904 9.828 1.00 24.43 H new ATOM 0 HD11 ILE A 96 -3.734 10.628 10.370 1.00 72.43 H new ATOM 0 HD12 ILE A 96 -3.637 8.874 10.656 1.00 72.43 H new ATOM 0 HD13 ILE A 96 -2.663 9.621 9.368 1.00 72.43 H new ATOM 1434 N VAL A 97 -2.585 5.727 7.078 1.00 21.22 N ATOM 1435 CA VAL A 97 -2.447 4.438 6.450 1.00 2.52 C ATOM 1436 C VAL A 97 -3.273 3.375 7.161 1.00 12.52 C ATOM 1437 O VAL A 97 -3.165 3.199 8.376 1.00 34.40 O ATOM 1438 CB VAL A 97 -0.961 4.004 6.394 1.00 21.44 C ATOM 1439 CG1 VAL A 97 -0.823 2.595 5.855 1.00 4.15 C ATOM 1440 CG2 VAL A 97 -0.175 4.963 5.527 1.00 62.02 C ATOM 0 H VAL A 97 -2.024 5.848 7.921 1.00 21.22 H new ATOM 0 HA VAL A 97 -2.824 4.536 5.432 1.00 2.52 H new ATOM 0 HB VAL A 97 -0.564 4.022 7.409 1.00 21.44 H new ATOM 0 HG11 VAL A 97 0.231 2.318 5.827 1.00 4.15 H new ATOM 0 HG12 VAL A 97 -1.363 1.904 6.502 1.00 4.15 H new ATOM 0 HG13 VAL A 97 -1.237 2.549 4.848 1.00 4.15 H new ATOM 0 HG21 VAL A 97 0.869 4.651 5.493 1.00 62.02 H new ATOM 0 HG22 VAL A 97 -0.587 4.962 4.518 1.00 62.02 H new ATOM 0 HG23 VAL A 97 -0.240 5.968 5.945 1.00 62.02 H new ATOM 1450 N ARG A 98 -4.100 2.695 6.411 1.00 22.22 N ATOM 1451 CA ARG A 98 -4.874 1.584 6.911 1.00 10.23 C ATOM 1452 C ARG A 98 -4.525 0.333 6.146 1.00 32.23 C ATOM 1453 O ARG A 98 -4.332 0.375 4.931 1.00 2.22 O ATOM 1454 CB ARG A 98 -6.381 1.853 6.824 1.00 75.15 C ATOM 1455 CG ARG A 98 -6.919 2.794 7.889 1.00 20.43 C ATOM 1456 CD ARG A 98 -6.758 2.181 9.274 1.00 42.20 C ATOM 1457 NE ARG A 98 -7.345 3.001 10.329 1.00 4.12 N ATOM 1458 CZ ARG A 98 -7.176 2.788 11.643 1.00 61.23 C ATOM 1459 NH1 ARG A 98 -6.452 1.754 12.079 1.00 33.41 N ATOM 1460 NH2 ARG A 98 -7.745 3.602 12.517 1.00 63.32 N ATOM 0 H ARG A 98 -4.258 2.898 5.424 1.00 22.22 H new ATOM 0 HA ARG A 98 -4.625 1.451 7.964 1.00 10.23 H new ATOM 0 HB2 ARG A 98 -6.606 2.270 5.842 1.00 75.15 H new ATOM 0 HB3 ARG A 98 -6.911 0.903 6.896 1.00 75.15 H new ATOM 0 HG2 ARG A 98 -6.390 3.746 7.842 1.00 20.43 H new ATOM 0 HG3 ARG A 98 -7.971 3.005 7.698 1.00 20.43 H new ATOM 0 HD2 ARG A 98 -7.223 1.195 9.286 1.00 42.20 H new ATOM 0 HD3 ARG A 98 -5.698 2.036 9.481 1.00 42.20 H new ATOM 0 HE ARG A 98 -7.925 3.792 10.048 1.00 4.12 H new ATOM 0 HH11 ARG A 98 -6.020 1.116 11.411 1.00 33.41 H new ATOM 0 HH12 ARG A 98 -6.331 1.603 13.080 1.00 33.41 H new ATOM 0 HH21 ARG A 98 -8.309 4.387 12.191 1.00 63.32 H new ATOM 0 HH22 ARG A 98 -7.620 3.445 13.517 1.00 63.32 H new ATOM 1474 N MET A 99 -4.399 -0.756 6.847 1.00 43.14 N ATOM 1475 CA MET A 99 -4.111 -2.027 6.230 1.00 20.53 C ATOM 1476 C MET A 99 -5.165 -3.016 6.617 1.00 32.21 C ATOM 1477 O MET A 99 -5.300 -3.380 7.792 1.00 40.31 O ATOM 1478 CB MET A 99 -2.721 -2.567 6.591 1.00 73.33 C ATOM 1479 CG MET A 99 -1.560 -1.718 6.093 1.00 3.34 C ATOM 1480 SD MET A 99 0.065 -2.467 6.403 1.00 53.13 S ATOM 1481 CE MET A 99 -0.088 -4.016 5.498 1.00 31.32 C ATOM 0 H MET A 99 -4.492 -0.793 7.862 1.00 43.14 H new ATOM 0 HA MET A 99 -4.113 -1.873 5.151 1.00 20.53 H new ATOM 0 HB2 MET A 99 -2.650 -2.655 7.675 1.00 73.33 H new ATOM 0 HB3 MET A 99 -2.619 -3.573 6.183 1.00 73.33 H new ATOM 0 HG2 MET A 99 -1.676 -1.549 5.022 1.00 3.34 H new ATOM 0 HG3 MET A 99 -1.600 -0.742 6.576 1.00 3.34 H new ATOM 0 HE1 MET A 99 0.905 -4.416 5.290 1.00 31.32 H new ATOM 0 HE2 MET A 99 -0.650 -4.733 6.096 1.00 31.32 H new ATOM 0 HE3 MET A 99 -0.611 -3.838 4.559 1.00 31.32 H new ATOM 1491 N HIS A 100 -5.910 -3.424 5.659 1.00 41.51 N ATOM 1492 CA HIS A 100 -6.990 -4.350 5.853 1.00 44.43 C ATOM 1493 C HIS A 100 -6.514 -5.721 5.455 1.00 42.15 C ATOM 1494 O HIS A 100 -6.145 -6.519 6.343 1.00 1.45 O ATOM 1495 CB HIS A 100 -8.218 -3.947 5.013 1.00 51.01 C ATOM 1496 CG HIS A 100 -8.784 -2.589 5.339 1.00 41.12 C ATOM 1497 ND1 HIS A 100 -9.933 -2.387 6.069 1.00 62.14 N ATOM 1498 CD2 HIS A 100 -8.345 -1.354 4.990 1.00 52.11 C ATOM 1499 CE1 HIS A 100 -10.157 -1.077 6.142 1.00 13.12 C ATOM 1500 NE2 HIS A 100 -9.218 -0.397 5.500 1.00 61.05 N ATOM 1501 OXT HIS A 100 -6.440 -5.992 4.249 1.00 37.41 O ATOM 0 H HIS A 100 -5.793 -3.124 4.691 1.00 41.51 H new ATOM 0 HA HIS A 100 -7.291 -4.345 6.900 1.00 44.43 H new ATOM 0 HB2 HIS A 100 -7.943 -3.968 3.959 1.00 51.01 H new ATOM 0 HB3 HIS A 100 -8.999 -4.695 5.153 1.00 51.01 H new ATOM 0 HD2 HIS A 100 -7.459 -1.146 4.409 1.00 52.11 H new ATOM 0 HE1 HIS A 100 -10.994 -0.628 6.656 1.00 13.12 H new ATOM 0 HE2 HIS A 100 -9.149 0.616 5.400 1.00 61.05 H new