USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 768 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 132 THR OG1 : rot 72:sc= 1.52 USER MOD Set 1.2: B 27 SER OG : rot 2:sc= 0.338 USER MOD Set 2.1: A 81 HIS : no HD1:sc=-0.00764 X(o=-0.054,f=-0.074) USER MOD Set 2.2: A 124 TYR OH : rot 30:sc= -0.0463 USER MOD Set 3.1: A 75 LYS NZ :NH3+ -109:sc= 0.783 (180deg=-1.25) USER MOD Set 3.2: A 89 TYR OH : rot 120:sc= 0 USER MOD Set 4.1: A 74 CYS SG : rot -53:sc= 0.48 USER MOD Set 4.2: A 78 THR OG1 : rot -30:sc= 2.3 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0.934 (180deg=0.871) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.825 F(o=-3.2,f=-0.82) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0.724 (180deg=0.64) USER MOD Single : A 76 MET CE :methyl -139:sc= -0.808 (180deg=-3.76!) USER MOD Single : A 77 GLN : amide:sc= -4.03! C(o=-4!,f=-5!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0128 F(o=-0.7!,f=-0.013) USER MOD Single : A 92 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.28) USER MOD Single : A 93 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.045) USER MOD Single : A 96 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-4.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 102 SER OG : rot 68:sc= 0.822 USER MOD Single : A 106 CYS SG : rot -137:sc= -2.64! USER MOD Single : A 107 ASN : amide:sc= 1.02 K(o=1,f=-0.019) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -140:sc= -0.0223 (180deg=-1.02) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 131 CYS SG : rot 169:sc= -2.09! USER MOD Single : A 135 LYS NZ :NH3+ -135:sc= 1.22 (180deg=0.123) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -0.187 F(o=-2.4,f=-0.19) USER MOD Single : A 138 SER OG : rot -70:sc= 2.05 USER MOD Single : B 29 SER OG : rot -82:sc= 0.14 USER MOD Single : B 33 GLN : amide:sc= 0.85 K(o=0.85,f=-0.072) USER MOD Single : B 34 TYR OH : rot 2:sc= 1.02 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.974 5.816 -1.311 1.00 0.57 N ATOM 118 CA TYR A 59 -13.827 6.696 -1.172 1.00 0.44 C ATOM 119 C TYR A 59 -12.841 6.486 -2.300 1.00 0.41 C ATOM 120 O TYR A 59 -11.690 6.899 -2.199 1.00 0.42 O ATOM 121 CB TYR A 59 -13.143 6.475 0.174 1.00 0.66 C ATOM 122 CG TYR A 59 -14.007 6.879 1.329 1.00 0.89 C ATOM 123 CD1 TYR A 59 -15.040 6.064 1.720 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.804 8.069 2.007 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.871 6.411 2.766 1.00 1.27 C ATOM 126 CE2 TYR A 59 -14.623 8.432 3.059 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.659 7.601 3.435 1.00 1.34 C ATOM 128 OH TYR A 59 -16.477 7.960 4.484 1.00 1.64 O ATOM 0 HA TYR A 59 -14.186 7.724 -1.219 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.877 5.423 0.274 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.213 7.043 0.203 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.206 5.133 1.199 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.996 8.721 1.710 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.680 5.758 3.059 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -14.454 9.360 3.584 1.00 1.30 H new ATOM 0 HH TYR A 59 -16.188 8.825 4.843 1.00 1.64 H new ATOM 138 N LYS A 60 -13.323 5.862 -3.376 1.00 0.42 N ATOM 139 CA LYS A 60 -12.487 5.446 -4.505 1.00 0.43 C ATOM 140 C LYS A 60 -11.469 6.518 -4.897 1.00 0.40 C ATOM 141 O LYS A 60 -10.265 6.278 -4.864 1.00 0.41 O ATOM 142 CB LYS A 60 -13.376 5.103 -5.705 1.00 0.52 C ATOM 143 CG LYS A 60 -12.616 4.530 -6.891 1.00 1.16 C ATOM 144 CD LYS A 60 -13.556 4.200 -8.040 1.00 1.35 C ATOM 145 CE LYS A 60 -12.818 3.534 -9.191 1.00 1.75 C ATOM 146 NZ LYS A 60 -11.812 4.435 -9.813 1.00 2.29 N ATOM 0 H LYS A 60 -14.310 5.629 -3.490 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.925 4.565 -4.194 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.133 4.385 -5.390 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.902 6.003 -6.024 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.866 5.246 -7.226 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -12.083 3.630 -6.584 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.349 3.541 -7.685 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.035 5.113 -8.393 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -12.321 2.634 -8.829 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.537 3.219 -9.947 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -11.243 3.899 -10.499 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -12.298 5.214 -10.301 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.190 4.823 -9.075 1.00 2.29 H new ATOM 160 N LEU A 61 -11.963 7.702 -5.232 1.00 0.45 N ATOM 161 CA LEU A 61 -11.110 8.804 -5.666 1.00 0.49 C ATOM 162 C LEU A 61 -10.020 9.112 -4.640 1.00 0.38 C ATOM 163 O LEU A 61 -8.854 9.284 -4.993 1.00 0.41 O ATOM 164 CB LEU A 61 -11.947 10.067 -5.925 1.00 0.62 C ATOM 165 CG LEU A 61 -12.756 10.598 -4.730 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.062 12.073 -4.921 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.057 9.824 -4.551 1.00 0.81 C ATOM 0 H LEU A 61 -12.958 7.927 -5.212 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.628 8.493 -6.593 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.279 10.858 -6.266 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.638 9.859 -6.742 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.152 10.463 -3.833 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.635 12.439 -4.069 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.129 12.631 -4.997 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.642 12.209 -5.834 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.604 10.225 -3.698 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.665 9.921 -5.450 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.833 8.772 -4.376 1.00 0.81 H new ATOM 179 N GLU A 62 -10.413 9.173 -3.374 1.00 0.33 N ATOM 180 CA GLU A 62 -9.501 9.493 -2.290 1.00 0.30 C ATOM 181 C GLU A 62 -8.309 8.561 -2.232 1.00 0.26 C ATOM 182 O GLU A 62 -7.179 9.018 -2.316 1.00 0.32 O ATOM 183 CB GLU A 62 -10.255 9.463 -0.960 1.00 0.41 C ATOM 184 CG GLU A 62 -10.904 10.785 -0.629 1.00 0.50 C ATOM 185 CD GLU A 62 -11.534 10.817 0.750 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.919 10.291 1.704 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.647 11.373 0.886 1.00 2.00 O ATOM 0 H GLU A 62 -11.372 9.002 -3.073 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.111 10.493 -2.479 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.019 8.687 -0.998 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.564 9.192 -0.161 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.157 11.576 -0.698 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.668 11.003 -1.375 1.00 0.50 H new ATOM 194 N ASN A 63 -8.556 7.267 -2.149 1.00 0.24 N ATOM 195 CA ASN A 63 -7.473 6.307 -1.924 1.00 0.23 C ATOM 196 C ASN A 63 -6.606 6.125 -3.158 1.00 0.21 C ATOM 197 O ASN A 63 -5.428 5.806 -3.040 1.00 0.22 O ATOM 198 CB ASN A 63 -8.007 4.952 -1.458 1.00 0.33 C ATOM 199 CG ASN A 63 -9.098 4.411 -2.347 1.00 1.10 C ATOM 200 OD1 ASN A 63 -10.330 4.622 -1.931 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.841 3.782 -3.371 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.484 6.852 -2.232 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.853 6.727 -1.132 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -7.186 4.236 -1.424 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.389 5.048 -0.441 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -7.871 3.643 -3.654 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.598 3.399 -3.937 1.00 0.90 H new ATOM 208 N GLU A 64 -7.166 6.340 -4.336 1.00 0.23 N ATOM 209 CA GLU A 64 -6.394 6.216 -5.553 1.00 0.29 C ATOM 210 C GLU A 64 -5.379 7.350 -5.655 1.00 0.29 C ATOM 211 O GLU A 64 -4.212 7.121 -5.978 1.00 0.35 O ATOM 212 CB GLU A 64 -7.313 6.191 -6.771 1.00 0.38 C ATOM 213 CG GLU A 64 -8.291 5.028 -6.761 1.00 0.41 C ATOM 214 CD GLU A 64 -8.972 4.810 -8.098 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.844 5.624 -8.475 1.00 0.69 O ATOM 216 OE2 GLU A 64 -8.640 3.821 -8.787 1.00 0.88 O ATOM 0 H GLU A 64 -8.143 6.599 -4.472 1.00 0.23 H new ATOM 0 HA GLU A 64 -5.848 5.273 -5.525 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -7.871 7.126 -6.816 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -6.706 6.139 -7.675 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -7.761 4.118 -6.478 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.050 5.206 -5.999 1.00 0.41 H new ATOM 223 N LYS A 65 -5.817 8.574 -5.378 1.00 0.27 N ATOM 224 CA LYS A 65 -4.904 9.712 -5.386 1.00 0.30 C ATOM 225 C LYS A 65 -4.059 9.722 -4.125 1.00 0.23 C ATOM 226 O LYS A 65 -2.943 10.223 -4.101 1.00 0.30 O ATOM 227 CB LYS A 65 -5.661 11.014 -5.522 1.00 0.39 C ATOM 228 CG LYS A 65 -6.748 10.951 -6.562 1.00 0.65 C ATOM 229 CD LYS A 65 -7.063 12.321 -7.138 1.00 1.23 C ATOM 230 CE LYS A 65 -6.236 12.614 -8.390 1.00 2.14 C ATOM 231 NZ LYS A 65 -4.766 12.491 -8.170 1.00 2.98 N ATOM 0 H LYS A 65 -6.784 8.802 -5.148 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.245 9.611 -6.249 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.100 11.276 -4.559 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.963 11.810 -5.781 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.443 10.281 -7.366 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.650 10.528 -6.119 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.124 12.378 -7.382 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -6.867 13.085 -6.386 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -6.536 11.929 -9.183 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -6.461 13.622 -8.737 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -4.260 12.800 -9.025 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -4.484 13.088 -7.366 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -4.527 11.500 -7.966 1.00 2.98 H new ATOM 245 N LEU A 66 -4.627 9.197 -3.067 1.00 0.16 N ATOM 246 CA LEU A 66 -3.902 8.987 -1.830 1.00 0.15 C ATOM 247 C LEU A 66 -2.721 8.053 -2.035 1.00 0.15 C ATOM 248 O LEU A 66 -1.594 8.353 -1.640 1.00 0.18 O ATOM 249 CB LEU A 66 -4.850 8.398 -0.806 1.00 0.15 C ATOM 250 CG LEU A 66 -4.997 9.229 0.438 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.276 8.874 1.170 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.773 9.025 1.301 1.00 0.22 C ATOM 0 H LEU A 66 -5.603 8.902 -3.035 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.513 9.944 -1.482 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.831 8.271 -1.264 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.497 7.405 -0.528 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.070 10.285 0.179 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.364 9.486 2.067 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.131 9.059 0.520 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.255 7.821 1.450 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.864 9.622 2.209 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.687 7.971 1.567 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.884 9.335 0.751 1.00 0.22 H new ATOM 264 N PHE A 67 -3.002 6.915 -2.640 1.00 0.14 N ATOM 265 CA PHE A 67 -1.992 5.917 -2.939 1.00 0.15 C ATOM 266 C PHE A 67 -0.840 6.518 -3.738 1.00 0.17 C ATOM 267 O PHE A 67 0.328 6.235 -3.467 1.00 0.20 O ATOM 268 CB PHE A 67 -2.617 4.762 -3.717 1.00 0.15 C ATOM 269 CG PHE A 67 -1.951 3.455 -3.450 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.819 3.073 -4.141 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.465 2.613 -2.489 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.208 1.863 -3.873 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.865 1.406 -2.215 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.732 1.026 -2.908 1.00 0.19 C ATOM 0 H PHE A 67 -3.942 6.655 -2.940 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.592 5.546 -1.995 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.673 4.686 -3.458 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.565 4.979 -4.784 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.407 3.725 -4.897 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.351 2.904 -1.944 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.678 1.572 -4.418 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.279 0.756 -1.459 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.258 0.079 -2.696 1.00 0.19 H new ATOM 284 N GLU A 68 -1.159 7.361 -4.711 1.00 0.18 N ATOM 285 CA GLU A 68 -0.125 7.956 -5.534 1.00 0.23 C ATOM 286 C GLU A 68 0.685 8.981 -4.743 1.00 0.19 C ATOM 287 O GLU A 68 1.858 9.170 -5.029 1.00 0.24 O ATOM 288 CB GLU A 68 -0.686 8.566 -6.819 1.00 0.40 C ATOM 289 CG GLU A 68 -1.709 9.632 -6.576 1.00 0.54 C ATOM 290 CD GLU A 68 -2.272 10.228 -7.848 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.495 10.826 -8.624 1.00 1.81 O ATOM 292 OE2 GLU A 68 -3.487 10.088 -8.092 1.00 1.39 O ATOM 0 H GLU A 68 -2.111 7.643 -4.944 1.00 0.18 H new ATOM 0 HA GLU A 68 0.546 7.151 -5.834 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.134 8.986 -7.401 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.132 7.776 -7.422 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.526 9.214 -5.987 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.260 10.426 -5.979 1.00 0.54 H new ATOM 299 N GLU A 69 0.088 9.619 -3.726 1.00 0.19 N ATOM 300 CA GLU A 69 0.847 10.521 -2.871 1.00 0.22 C ATOM 301 C GLU A 69 2.025 9.786 -2.249 1.00 0.20 C ATOM 302 O GLU A 69 3.124 10.323 -2.120 1.00 0.28 O ATOM 303 CB GLU A 69 -0.053 11.079 -1.791 1.00 0.26 C ATOM 304 CG GLU A 69 -1.106 12.001 -2.348 1.00 0.34 C ATOM 305 CD GLU A 69 -0.617 13.429 -2.478 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.521 14.126 -1.443 1.00 1.78 O ATOM 307 OE2 GLU A 69 -0.314 13.859 -3.610 1.00 1.31 O ATOM 0 H GLU A 69 -0.899 9.526 -3.484 1.00 0.19 H new ATOM 0 HA GLU A 69 1.231 11.345 -3.473 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.535 10.257 -1.262 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.550 11.618 -1.061 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.422 11.638 -3.326 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.983 11.978 -1.701 1.00 0.34 H new ATOM 314 N PHE A 70 1.769 8.538 -1.881 1.00 0.15 N ATOM 315 CA PHE A 70 2.793 7.651 -1.356 1.00 0.13 C ATOM 316 C PHE A 70 3.799 7.317 -2.443 1.00 0.13 C ATOM 317 O PHE A 70 5.004 7.421 -2.251 1.00 0.14 O ATOM 318 CB PHE A 70 2.136 6.368 -0.856 1.00 0.12 C ATOM 319 CG PHE A 70 3.021 5.523 0.015 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.186 4.987 -0.489 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.669 5.237 1.321 1.00 0.11 C ATOM 322 CE1 PHE A 70 4.988 4.181 0.282 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.471 4.436 2.108 1.00 0.11 C ATOM 324 CZ PHE A 70 4.632 3.903 1.586 1.00 0.11 C ATOM 0 H PHE A 70 0.843 8.113 -1.939 1.00 0.15 H new ATOM 0 HA PHE A 70 3.311 8.145 -0.534 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.236 6.627 -0.298 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.819 5.777 -1.715 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.473 5.204 -1.507 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.756 5.645 1.730 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.895 3.766 -0.132 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.191 4.227 3.130 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.260 3.270 2.196 1.00 0.11 H new ATOM 334 N LEU A 71 3.286 6.920 -3.589 1.00 0.14 N ATOM 335 CA LEU A 71 4.107 6.430 -4.671 1.00 0.15 C ATOM 336 C LEU A 71 4.965 7.496 -5.284 1.00 0.16 C ATOM 337 O LEU A 71 6.141 7.276 -5.511 1.00 0.18 O ATOM 338 CB LEU A 71 3.215 5.822 -5.713 1.00 0.17 C ATOM 339 CG LEU A 71 2.599 4.525 -5.256 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.643 4.015 -6.290 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.697 3.528 -4.969 1.00 0.16 C ATOM 0 H LEU A 71 2.287 6.929 -3.794 1.00 0.14 H new ATOM 0 HA LEU A 71 4.790 5.685 -4.262 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.424 6.527 -5.966 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.790 5.647 -6.623 1.00 0.17 H new ATOM 0 HG LEU A 71 2.032 4.684 -4.339 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.204 3.077 -5.949 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.853 4.749 -6.449 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.175 3.847 -7.226 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.257 2.587 -4.638 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.279 3.357 -5.875 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.348 3.919 -4.187 1.00 0.16 H new ATOM 353 N GLU A 72 4.383 8.637 -5.566 1.00 0.16 N ATOM 354 CA GLU A 72 5.126 9.731 -6.152 1.00 0.19 C ATOM 355 C GLU A 72 6.212 10.184 -5.184 1.00 0.18 C ATOM 356 O GLU A 72 7.267 10.663 -5.592 1.00 0.21 O ATOM 357 CB GLU A 72 4.186 10.858 -6.544 1.00 0.24 C ATOM 358 CG GLU A 72 3.015 10.374 -7.390 1.00 0.29 C ATOM 359 CD GLU A 72 3.337 10.287 -8.864 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.020 11.197 -9.370 1.00 1.21 O ATOM 361 OE2 GLU A 72 2.926 9.306 -9.519 1.00 1.17 O ATOM 0 H GLU A 72 3.396 8.834 -5.400 1.00 0.16 H new ATOM 0 HA GLU A 72 5.617 9.400 -7.067 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.805 11.339 -5.643 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.742 11.614 -7.098 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.701 9.392 -7.035 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.171 11.049 -7.249 1.00 0.29 H new ATOM 368 N LEU A 73 5.939 10.023 -3.894 1.00 0.16 N ATOM 369 CA LEU A 73 6.957 10.170 -2.871 1.00 0.16 C ATOM 370 C LEU A 73 7.989 9.054 -3.012 1.00 0.15 C ATOM 371 O LEU A 73 9.192 9.306 -3.012 1.00 0.18 O ATOM 372 CB LEU A 73 6.299 10.101 -1.493 1.00 0.16 C ATOM 373 CG LEU A 73 7.243 9.856 -0.320 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.488 11.140 0.453 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.670 8.774 0.579 1.00 0.16 C ATOM 0 H LEU A 73 5.014 9.789 -3.534 1.00 0.16 H new ATOM 0 HA LEU A 73 7.457 11.132 -2.985 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.767 11.036 -1.318 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.553 9.307 -1.507 1.00 0.16 H new ATOM 0 HG LEU A 73 8.206 9.517 -0.703 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.164 10.941 1.285 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.935 11.883 -0.208 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.541 11.519 0.838 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.346 8.601 1.416 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.698 9.092 0.957 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.554 7.852 0.010 1.00 0.16 H new ATOM 387 N CYS A 74 7.502 7.821 -3.156 1.00 0.13 N ATOM 388 CA CYS A 74 8.356 6.655 -3.307 1.00 0.13 C ATOM 389 C CYS A 74 9.256 6.803 -4.542 1.00 0.15 C ATOM 390 O CYS A 74 10.385 6.326 -4.550 1.00 0.18 O ATOM 391 CB CYS A 74 7.483 5.400 -3.412 1.00 0.16 C ATOM 392 SG CYS A 74 8.353 3.851 -3.113 1.00 0.50 S ATOM 0 H CYS A 74 6.504 7.608 -3.171 1.00 0.13 H new ATOM 0 HA CYS A 74 9.004 6.565 -2.435 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.663 5.484 -2.699 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.039 5.365 -4.407 1.00 0.16 H new ATOM 0 HG CYS A 74 9.394 3.781 -3.889 1.00 0.50 H new ATOM 398 N LYS A 75 8.750 7.491 -5.570 1.00 0.18 N ATOM 399 CA LYS A 75 9.533 7.805 -6.769 1.00 0.22 C ATOM 400 C LYS A 75 10.812 8.559 -6.412 1.00 0.22 C ATOM 401 O LYS A 75 11.821 8.457 -7.104 1.00 0.26 O ATOM 402 CB LYS A 75 8.727 8.654 -7.751 1.00 0.28 C ATOM 403 CG LYS A 75 7.922 7.857 -8.767 1.00 0.57 C ATOM 404 CD LYS A 75 6.497 7.603 -8.305 1.00 0.61 C ATOM 405 CE LYS A 75 5.534 7.551 -9.466 1.00 0.38 C ATOM 406 NZ LYS A 75 4.189 7.036 -9.095 1.00 0.96 N ATOM 0 H LYS A 75 7.793 7.844 -5.595 1.00 0.18 H new ATOM 0 HA LYS A 75 9.788 6.853 -7.235 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.046 9.290 -7.186 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.410 9.314 -8.286 1.00 0.28 H new ATOM 0 HG2 LYS A 75 7.903 8.395 -9.715 1.00 0.57 H new ATOM 0 HG3 LYS A 75 8.417 6.903 -8.951 1.00 0.57 H new ATOM 0 HD2 LYS A 75 6.455 6.663 -7.755 1.00 0.61 H new ATOM 0 HD3 LYS A 75 6.193 8.390 -7.615 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.429 8.551 -9.886 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.954 6.919 -10.249 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.056 6.088 -9.502 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 4.111 6.982 -8.059 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 3.458 7.677 -9.464 1.00 0.96 H new ATOM 420 N MET A 76 10.759 9.317 -5.323 1.00 0.22 N ATOM 421 CA MET A 76 11.880 10.145 -4.913 1.00 0.26 C ATOM 422 C MET A 76 12.728 9.388 -3.911 1.00 0.25 C ATOM 423 O MET A 76 13.952 9.500 -3.887 1.00 0.32 O ATOM 424 CB MET A 76 11.390 11.442 -4.258 1.00 0.29 C ATOM 425 CG MET A 76 10.121 12.010 -4.856 1.00 0.27 C ATOM 426 SD MET A 76 9.600 13.539 -4.056 1.00 0.32 S ATOM 427 CE MET A 76 9.404 12.987 -2.363 1.00 0.35 C ATOM 0 H MET A 76 9.947 9.373 -4.708 1.00 0.22 H new ATOM 0 HA MET A 76 12.465 10.391 -5.799 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.225 11.257 -3.197 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.178 12.191 -4.332 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.276 12.195 -5.919 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.323 11.272 -4.774 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.508 13.437 -1.935 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.310 11.901 -2.343 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.274 13.287 -1.779 1.00 0.35 H new ATOM 437 N GLN A 77 12.051 8.611 -3.085 1.00 0.21 N ATOM 438 CA GLN A 77 12.689 7.926 -1.979 1.00 0.22 C ATOM 439 C GLN A 77 13.383 6.655 -2.446 1.00 0.21 C ATOM 440 O GLN A 77 14.599 6.512 -2.303 1.00 0.24 O ATOM 441 CB GLN A 77 11.639 7.573 -0.931 1.00 0.23 C ATOM 442 CG GLN A 77 10.759 8.735 -0.493 1.00 0.30 C ATOM 443 CD GLN A 77 11.448 9.713 0.432 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.657 9.924 0.362 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.667 10.312 1.314 1.00 0.48 N ATOM 0 H GLN A 77 11.049 8.439 -3.162 1.00 0.21 H new ATOM 0 HA GLN A 77 13.440 8.590 -1.551 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.002 6.782 -1.327 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.143 7.167 -0.054 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.413 9.269 -1.378 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.875 8.340 0.006 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.668 10.105 1.335 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.063 10.981 1.974 1.00 0.48 H new ATOM 454 N THR A 78 12.613 5.742 -3.027 1.00 0.18 N ATOM 455 CA THR A 78 13.149 4.482 -3.498 1.00 0.20 C ATOM 456 C THR A 78 13.657 4.642 -4.922 1.00 0.22 C ATOM 457 O THR A 78 13.448 3.785 -5.773 1.00 0.24 O ATOM 458 CB THR A 78 12.088 3.364 -3.441 1.00 0.20 C ATOM 459 OG1 THR A 78 11.020 3.644 -4.354 1.00 0.56 O ATOM 460 CG2 THR A 78 11.527 3.236 -2.035 1.00 0.42 C ATOM 0 H THR A 78 11.611 5.857 -3.181 1.00 0.18 H new ATOM 0 HA THR A 78 13.973 4.197 -2.844 1.00 0.20 H new ATOM 0 HB THR A 78 12.567 2.426 -3.723 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.913 4.614 -4.444 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.780 2.443 -2.012 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.333 2.995 -1.342 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.065 4.178 -1.740 1.00 0.42 H new ATOM 468 N ALA A 79 14.316 5.759 -5.168 1.00 0.25 N ATOM 469 CA ALA A 79 14.894 6.039 -6.467 1.00 0.30 C ATOM 470 C ALA A 79 16.037 5.072 -6.747 1.00 0.34 C ATOM 471 O ALA A 79 16.367 4.784 -7.897 1.00 0.42 O ATOM 472 CB ALA A 79 15.365 7.476 -6.503 1.00 0.32 C ATOM 0 H ALA A 79 14.465 6.494 -4.476 1.00 0.25 H new ATOM 0 HA ALA A 79 14.144 5.901 -7.246 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.801 7.692 -7.479 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.519 8.141 -6.329 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.115 7.633 -5.728 1.00 0.32 H new ATOM 478 N ASP A 80 16.628 4.571 -5.671 1.00 0.35 N ATOM 479 CA ASP A 80 17.666 3.552 -5.755 1.00 0.44 C ATOM 480 C ASP A 80 17.051 2.186 -6.060 1.00 0.38 C ATOM 481 O ASP A 80 17.698 1.310 -6.634 1.00 0.44 O ATOM 482 CB ASP A 80 18.444 3.502 -4.439 1.00 0.59 C ATOM 483 CG ASP A 80 19.471 2.393 -4.404 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.466 2.478 -5.146 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.277 1.419 -3.649 1.00 2.29 O ATOM 0 H ASP A 80 16.403 4.858 -4.718 1.00 0.35 H new ATOM 0 HA ASP A 80 18.349 3.808 -6.565 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.944 4.458 -4.282 1.00 0.59 H new ATOM 0 HB3 ASP A 80 17.744 3.368 -3.614 1.00 0.59 H new ATOM 490 N HIS A 81 15.783 2.029 -5.703 1.00 0.35 N ATOM 491 CA HIS A 81 15.074 0.766 -5.887 1.00 0.39 C ATOM 492 C HIS A 81 13.722 1.018 -6.549 1.00 0.34 C ATOM 493 O HIS A 81 12.681 0.919 -5.900 1.00 0.30 O ATOM 494 CB HIS A 81 14.863 0.053 -4.546 1.00 0.49 C ATOM 495 CG HIS A 81 16.116 -0.452 -3.899 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.905 -1.434 -4.452 1.00 2.02 N ATOM 497 CD2 HIS A 81 16.696 -0.128 -2.720 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.911 -1.699 -3.640 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.809 -0.919 -2.581 1.00 1.12 N ATOM 0 H HIS A 81 15.219 2.767 -5.281 1.00 0.35 H new ATOM 0 HA HIS A 81 15.682 0.127 -6.528 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.368 0.740 -3.859 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.186 -0.787 -4.700 1.00 0.49 H new ATOM 0 HD2 HIS A 81 16.348 0.615 -2.018 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.686 -2.431 -3.813 1.00 2.11 H new ATOM 0 HE2 HIS A 81 18.452 -0.906 -1.789 1.00 1.12 H new ATOM 508 N PRO A 82 13.723 1.338 -7.857 1.00 0.39 N ATOM 509 CA PRO A 82 12.510 1.731 -8.597 1.00 0.39 C ATOM 510 C PRO A 82 11.502 0.593 -8.805 1.00 0.35 C ATOM 511 O PRO A 82 10.617 0.689 -9.653 1.00 0.39 O ATOM 512 CB PRO A 82 13.066 2.192 -9.943 1.00 0.50 C ATOM 513 CG PRO A 82 14.344 1.458 -10.100 1.00 0.53 C ATOM 514 CD PRO A 82 14.917 1.362 -8.723 1.00 0.48 C ATOM 0 HA PRO A 82 11.945 2.484 -8.048 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.376 1.962 -10.755 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.226 3.270 -9.956 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.179 0.469 -10.527 1.00 0.53 H new ATOM 0 HG3 PRO A 82 15.021 1.986 -10.771 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.520 0.462 -8.601 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.561 2.211 -8.496 1.00 0.48 H new ATOM 522 N GLU A 83 11.629 -0.467 -8.023 1.00 0.29 N ATOM 523 CA GLU A 83 10.731 -1.608 -8.119 1.00 0.26 C ATOM 524 C GLU A 83 9.515 -1.419 -7.216 1.00 0.19 C ATOM 525 O GLU A 83 8.423 -1.896 -7.514 1.00 0.22 O ATOM 526 CB GLU A 83 11.467 -2.880 -7.734 1.00 0.33 C ATOM 527 CG GLU A 83 12.680 -3.150 -8.599 1.00 0.49 C ATOM 528 CD GLU A 83 12.343 -3.237 -10.072 1.00 1.32 C ATOM 529 OE1 GLU A 83 11.844 -4.292 -10.510 1.00 1.72 O ATOM 530 OE2 GLU A 83 12.559 -2.242 -10.793 1.00 2.05 O ATOM 0 H GLU A 83 12.351 -0.561 -7.309 1.00 0.29 H new ATOM 0 HA GLU A 83 10.386 -1.688 -9.150 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.780 -2.810 -6.692 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.782 -3.725 -7.806 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.414 -2.359 -8.445 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.146 -4.083 -8.282 1.00 0.49 H new ATOM 537 N VAL A 84 9.728 -0.698 -6.116 1.00 0.15 N ATOM 538 CA VAL A 84 8.713 -0.503 -5.083 1.00 0.11 C ATOM 539 C VAL A 84 7.410 0.075 -5.633 1.00 0.11 C ATOM 540 O VAL A 84 6.336 -0.498 -5.457 1.00 0.13 O ATOM 541 CB VAL A 84 9.223 0.472 -4.020 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.256 0.516 -2.866 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.623 0.102 -3.562 1.00 0.14 C ATOM 0 H VAL A 84 10.613 -0.231 -5.916 1.00 0.15 H new ATOM 0 HA VAL A 84 8.517 -1.491 -4.666 1.00 0.11 H new ATOM 0 HB VAL A 84 9.286 1.469 -4.456 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.622 1.211 -2.111 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.280 0.847 -3.221 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.165 -0.479 -2.430 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.958 0.813 -2.807 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.613 -0.902 -3.137 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.303 0.129 -4.413 1.00 0.14 H new ATOM 553 N VAL A 85 7.525 1.224 -6.284 1.00 0.11 N ATOM 554 CA VAL A 85 6.369 1.948 -6.821 1.00 0.13 C ATOM 555 C VAL A 85 5.528 1.071 -7.759 1.00 0.15 C ATOM 556 O VAL A 85 4.331 0.900 -7.526 1.00 0.16 O ATOM 557 CB VAL A 85 6.813 3.236 -7.552 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.622 4.107 -7.898 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.803 4.008 -6.703 1.00 0.15 C ATOM 0 H VAL A 85 8.418 1.684 -6.457 1.00 0.11 H new ATOM 0 HA VAL A 85 5.744 2.223 -5.971 1.00 0.13 H new ATOM 0 HB VAL A 85 7.299 2.945 -8.483 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.965 5.005 -8.411 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.944 3.554 -8.548 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.099 4.389 -6.984 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.107 4.912 -7.230 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.336 4.279 -5.756 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.679 3.388 -6.511 1.00 0.15 H new ATOM 569 N PRO A 86 6.127 0.493 -8.828 1.00 0.17 N ATOM 570 CA PRO A 86 5.410 -0.428 -9.718 1.00 0.20 C ATOM 571 C PRO A 86 4.814 -1.613 -8.964 1.00 0.18 C ATOM 572 O PRO A 86 3.734 -2.098 -9.308 1.00 0.20 O ATOM 573 CB PRO A 86 6.486 -0.907 -10.696 1.00 0.23 C ATOM 574 CG PRO A 86 7.527 0.154 -10.669 1.00 0.22 C ATOM 575 CD PRO A 86 7.519 0.703 -9.272 1.00 0.17 C ATOM 0 HA PRO A 86 4.565 0.059 -10.205 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.896 -1.870 -10.392 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.079 -1.036 -11.699 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.506 -0.253 -10.923 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.308 0.935 -11.397 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.228 0.180 -8.631 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.791 1.758 -9.254 1.00 0.17 H new ATOM 583 N PHE A 87 5.519 -2.064 -7.929 1.00 0.16 N ATOM 584 CA PHE A 87 5.042 -3.155 -7.088 1.00 0.15 C ATOM 585 C PHE A 87 3.752 -2.746 -6.384 1.00 0.14 C ATOM 586 O PHE A 87 2.734 -3.432 -6.495 1.00 0.16 O ATOM 587 CB PHE A 87 6.121 -3.540 -6.064 1.00 0.17 C ATOM 588 CG PHE A 87 5.781 -4.717 -5.186 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.605 -5.430 -5.353 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.655 -5.110 -4.189 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.307 -6.505 -4.547 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.360 -6.185 -3.377 1.00 0.25 C ATOM 593 CZ PHE A 87 5.186 -6.883 -3.557 1.00 0.38 C ATOM 0 H PHE A 87 6.426 -1.688 -7.653 1.00 0.16 H new ATOM 0 HA PHE A 87 4.834 -4.024 -7.713 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.045 -3.761 -6.599 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.320 -2.678 -5.428 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.911 -5.138 -6.128 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.579 -4.569 -4.045 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.386 -7.051 -4.691 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.050 -6.480 -2.600 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.955 -7.726 -2.922 1.00 0.38 H new ATOM 603 N LEU A 88 3.792 -1.628 -5.670 1.00 0.12 N ATOM 604 CA LEU A 88 2.622 -1.143 -4.953 1.00 0.13 C ATOM 605 C LEU A 88 1.439 -0.962 -5.895 1.00 0.14 C ATOM 606 O LEU A 88 0.300 -1.279 -5.542 1.00 0.16 O ATOM 607 CB LEU A 88 2.939 0.166 -4.237 1.00 0.13 C ATOM 608 CG LEU A 88 3.971 0.052 -3.118 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.928 1.297 -2.241 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.728 -1.214 -2.306 1.00 0.20 C ATOM 0 H LEU A 88 4.621 -1.042 -5.573 1.00 0.12 H new ATOM 0 HA LEU A 88 2.349 -1.890 -4.208 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.298 0.887 -4.971 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.016 0.568 -3.820 1.00 0.13 H new ATOM 0 HG LEU A 88 4.969 -0.018 -3.552 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.667 1.207 -1.445 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.151 2.176 -2.846 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.935 1.400 -1.804 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.470 -1.284 -1.511 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.730 -1.180 -1.869 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.810 -2.085 -2.957 1.00 0.20 H new ATOM 622 N TYR A 89 1.715 -0.473 -7.097 1.00 0.16 N ATOM 623 CA TYR A 89 0.677 -0.361 -8.121 1.00 0.20 C ATOM 624 C TYR A 89 0.100 -1.734 -8.440 1.00 0.21 C ATOM 625 O TYR A 89 -1.112 -1.946 -8.382 1.00 0.25 O ATOM 626 CB TYR A 89 1.225 0.237 -9.421 1.00 0.22 C ATOM 627 CG TYR A 89 1.256 1.743 -9.474 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.087 2.477 -9.618 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.458 2.428 -9.401 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.117 3.856 -9.686 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.497 3.803 -9.471 1.00 0.37 C ATOM 632 CZ TYR A 89 1.325 4.515 -9.611 1.00 0.43 C ATOM 633 OH TYR A 89 1.365 5.890 -9.683 1.00 0.54 O ATOM 0 H TYR A 89 2.638 -0.150 -7.388 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.094 0.297 -7.721 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.237 -0.137 -9.575 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.621 -0.127 -10.252 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.860 1.962 -9.678 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.379 1.875 -9.287 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.801 4.415 -9.797 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.443 4.322 -9.416 1.00 0.37 H new ATOM 0 HH TYR A 89 1.760 6.249 -8.861 1.00 0.54 H new ATOM 643 N ASN A 90 0.997 -2.671 -8.729 1.00 0.19 N ATOM 644 CA ASN A 90 0.625 -4.015 -9.164 1.00 0.23 C ATOM 645 C ASN A 90 -0.182 -4.725 -8.086 1.00 0.22 C ATOM 646 O ASN A 90 -1.150 -5.425 -8.377 1.00 0.27 O ATOM 647 CB ASN A 90 1.886 -4.820 -9.476 1.00 0.27 C ATOM 648 CG ASN A 90 1.663 -5.961 -10.453 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.469 -6.525 -10.471 1.00 1.33 O flip ATOM 650 ND2 ASN A 90 2.573 -6.337 -11.193 1.00 0.67 N flip ATOM 0 H ASN A 90 2.004 -2.521 -8.669 1.00 0.19 H new ATOM 0 HA ASN A 90 0.010 -3.933 -10.060 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.642 -4.149 -9.883 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.286 -5.224 -8.546 1.00 0.27 H new ATOM 0 HD21 ASN A 90 3.484 -5.880 -11.154 1.00 0.67 H new ATOM 0 HD22 ASN A 90 2.416 -7.106 -11.845 1.00 0.67 H new ATOM 657 N ARG A 91 0.224 -4.534 -6.841 1.00 0.19 N ATOM 658 CA ARG A 91 -0.439 -5.166 -5.714 1.00 0.20 C ATOM 659 C ARG A 91 -1.814 -4.553 -5.478 1.00 0.20 C ATOM 660 O ARG A 91 -2.754 -5.260 -5.116 1.00 0.22 O ATOM 661 CB ARG A 91 0.430 -5.055 -4.458 1.00 0.22 C ATOM 662 CG ARG A 91 -0.172 -5.695 -3.209 1.00 0.26 C ATOM 663 CD ARG A 91 -0.610 -7.132 -3.447 1.00 0.36 C ATOM 664 NE ARG A 91 0.415 -7.915 -4.146 1.00 0.80 N ATOM 665 CZ ARG A 91 1.444 -8.525 -3.545 1.00 0.73 C ATOM 666 NH1 ARG A 91 1.585 -8.482 -2.226 1.00 1.38 N ATOM 667 NH2 ARG A 91 2.340 -9.179 -4.268 1.00 1.25 N ATOM 0 H ARG A 91 1.015 -3.942 -6.586 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.580 -6.222 -5.945 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.396 -5.519 -4.658 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.619 -4.001 -4.255 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.561 -5.670 -2.402 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.029 -5.107 -2.880 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -0.836 -7.604 -2.491 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.530 -7.138 -4.031 1.00 0.36 H new ATOM 0 HE ARG A 91 0.338 -8.000 -5.160 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.904 -7.979 -1.656 1.00 1.38 H new ATOM 0 HH12 ARG A 91 2.374 -8.952 -1.782 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.246 -9.218 -5.283 1.00 1.25 H new ATOM 0 HH22 ARG A 91 3.124 -9.644 -3.810 1.00 1.25 H new ATOM 681 N GLN A 92 -1.938 -3.246 -5.696 1.00 0.19 N ATOM 682 CA GLN A 92 -3.219 -2.574 -5.503 1.00 0.21 C ATOM 683 C GLN A 92 -4.207 -3.021 -6.569 1.00 0.24 C ATOM 684 O GLN A 92 -5.396 -3.167 -6.304 1.00 0.26 O ATOM 685 CB GLN A 92 -3.080 -1.052 -5.554 1.00 0.23 C ATOM 686 CG GLN A 92 -4.296 -0.338 -4.986 1.00 0.34 C ATOM 687 CD GLN A 92 -4.454 1.078 -5.497 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.481 1.741 -5.844 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.690 1.549 -5.538 1.00 0.78 N ATOM 0 H GLN A 92 -1.178 -2.639 -6.002 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.583 -2.849 -4.513 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.193 -0.752 -4.996 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.928 -0.738 -6.587 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.191 -0.908 -5.234 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.222 -0.318 -3.899 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.469 0.963 -5.240 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.863 2.498 -5.868 1.00 0.78 H new ATOM 698 N GLN A 93 -3.701 -3.244 -7.774 1.00 0.26 N ATOM 699 CA GLN A 93 -4.539 -3.704 -8.872 1.00 0.32 C ATOM 700 C GLN A 93 -4.975 -5.142 -8.619 1.00 0.34 C ATOM 701 O GLN A 93 -5.998 -5.595 -9.130 1.00 0.40 O ATOM 702 CB GLN A 93 -3.794 -3.612 -10.208 1.00 0.36 C ATOM 703 CG GLN A 93 -3.174 -2.253 -10.495 1.00 0.38 C ATOM 704 CD GLN A 93 -4.160 -1.115 -10.410 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.801 -0.742 -11.392 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.274 -0.551 -9.228 1.00 0.57 N ATOM 0 H GLN A 93 -2.718 -3.114 -8.015 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.417 -3.061 -8.927 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.007 -4.366 -10.223 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.487 -3.858 -11.013 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.363 -2.075 -9.788 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.731 -2.267 -11.491 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.721 -0.895 -8.443 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.915 0.231 -9.096 1.00 0.57 H new ATOM 715 N ARG A 94 -4.186 -5.861 -7.822 1.00 0.33 N ATOM 716 CA ARG A 94 -4.522 -7.225 -7.454 1.00 0.38 C ATOM 717 C ARG A 94 -5.450 -7.259 -6.253 1.00 0.32 C ATOM 718 O ARG A 94 -6.054 -8.286 -5.943 1.00 0.46 O ATOM 719 CB ARG A 94 -3.275 -8.032 -7.174 1.00 0.47 C ATOM 720 CG ARG A 94 -2.892 -8.860 -8.369 1.00 0.70 C ATOM 721 CD ARG A 94 -1.430 -8.737 -8.677 1.00 0.95 C ATOM 722 NE ARG A 94 -1.051 -9.570 -9.816 1.00 1.67 N ATOM 723 CZ ARG A 94 0.013 -10.369 -9.851 1.00 2.40 C ATOM 724 NH1 ARG A 94 0.843 -10.430 -8.819 1.00 2.73 N ATOM 725 NH2 ARG A 94 0.236 -11.111 -10.927 1.00 3.24 N ATOM 0 H ARG A 94 -3.313 -5.518 -7.422 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.043 -7.673 -8.300 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.455 -7.363 -6.912 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.443 -8.682 -6.315 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -3.139 -9.905 -8.183 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -3.475 -8.544 -9.234 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -1.188 -7.696 -8.890 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -0.847 -9.027 -7.803 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.645 -9.537 -10.645 1.00 1.67 H new ATOM 0 HH11 ARG A 94 0.669 -9.862 -7.990 1.00 2.73 H new ATOM 0 HH12 ARG A 94 1.656 -11.045 -8.854 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -0.405 -11.067 -11.719 1.00 3.24 H new ATOM 0 HH22 ARG A 94 1.049 -11.726 -10.963 1.00 3.24 H new ATOM 739 N ALA A 95 -5.539 -6.137 -5.566 1.00 0.28 N ATOM 740 CA ALA A 95 -6.419 -6.007 -4.430 1.00 0.25 C ATOM 741 C ALA A 95 -7.855 -5.797 -4.906 1.00 0.26 C ATOM 742 O ALA A 95 -8.091 -5.176 -5.943 1.00 0.36 O ATOM 743 CB ALA A 95 -5.943 -4.860 -3.556 1.00 0.25 C ATOM 0 H ALA A 95 -5.004 -5.295 -5.781 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.400 -6.920 -3.835 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.605 -4.758 -2.696 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.929 -5.062 -3.211 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.952 -3.935 -4.133 1.00 0.25 H new ATOM 749 N HIS A 96 -8.804 -6.336 -4.154 1.00 0.29 N ATOM 750 CA HIS A 96 -10.205 -6.303 -4.550 1.00 0.29 C ATOM 751 C HIS A 96 -10.769 -4.896 -4.423 1.00 0.27 C ATOM 752 O HIS A 96 -10.634 -4.256 -3.377 1.00 0.29 O ATOM 753 CB HIS A 96 -11.028 -7.277 -3.711 1.00 0.33 C ATOM 754 CG HIS A 96 -12.417 -7.481 -4.225 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.464 -6.710 -3.784 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.874 -8.368 -5.140 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.530 -7.140 -4.438 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.220 -8.143 -5.267 1.00 0.50 N ATOM 0 H HIS A 96 -8.629 -6.803 -3.264 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.265 -6.608 -5.595 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.516 -8.239 -3.679 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.079 -6.909 -2.686 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.291 -9.109 -5.667 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.523 -6.734 -4.318 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.864 -8.645 -5.878 1.00 0.50 H new ATOM 766 N SER A 97 -11.445 -4.460 -5.480 1.00 0.32 N ATOM 767 CA SER A 97 -11.872 -3.074 -5.645 1.00 0.37 C ATOM 768 C SER A 97 -12.794 -2.572 -4.528 1.00 0.33 C ATOM 769 O SER A 97 -12.988 -1.363 -4.380 1.00 0.39 O ATOM 770 CB SER A 97 -12.564 -2.922 -6.998 1.00 0.48 C ATOM 771 OG SER A 97 -13.535 -3.940 -7.181 1.00 1.46 O ATOM 0 H SER A 97 -11.715 -5.065 -6.255 1.00 0.32 H new ATOM 0 HA SER A 97 -10.974 -2.458 -5.593 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.040 -1.943 -7.061 1.00 0.48 H new ATOM 0 HB3 SER A 97 -11.825 -2.969 -7.798 1.00 0.48 H new ATOM 0 HG SER A 97 -13.969 -3.825 -8.052 1.00 1.46 H new ATOM 777 N LEU A 98 -13.359 -3.475 -3.736 1.00 0.29 N ATOM 778 CA LEU A 98 -14.265 -3.069 -2.678 1.00 0.32 C ATOM 779 C LEU A 98 -13.500 -2.496 -1.500 1.00 0.35 C ATOM 780 O LEU A 98 -13.877 -1.466 -0.942 1.00 0.43 O ATOM 781 CB LEU A 98 -15.118 -4.244 -2.224 1.00 0.35 C ATOM 782 CG LEU A 98 -16.324 -4.543 -3.110 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.147 -5.671 -2.511 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.171 -3.290 -3.289 1.00 0.67 C ATOM 0 H LEU A 98 -13.206 -4.481 -3.807 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.919 -2.293 -3.076 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.490 -5.134 -2.178 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.469 -4.049 -1.211 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.972 -4.859 -4.092 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.005 -5.876 -3.152 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.532 -6.567 -2.431 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.496 -5.380 -1.520 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.028 -3.518 -3.923 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.521 -2.945 -2.316 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.571 -2.509 -3.756 1.00 0.67 H new ATOM 796 N PHE A 99 -12.423 -3.169 -1.135 1.00 0.32 N ATOM 797 CA PHE A 99 -11.587 -2.722 -0.033 1.00 0.34 C ATOM 798 C PHE A 99 -11.016 -1.339 -0.301 1.00 0.34 C ATOM 799 O PHE A 99 -11.145 -0.453 0.543 1.00 0.39 O ATOM 800 CB PHE A 99 -10.453 -3.708 0.236 1.00 0.36 C ATOM 801 CG PHE A 99 -9.410 -3.170 1.178 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.764 -2.713 2.440 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.081 -3.105 0.795 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.810 -2.202 3.297 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.124 -2.593 1.648 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.489 -2.143 2.902 1.00 0.58 C ATOM 0 H PHE A 99 -12.106 -4.028 -1.585 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.221 -2.671 0.852 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -10.869 -4.626 0.651 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -9.978 -3.972 -0.709 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.796 -2.758 2.755 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.790 -3.459 -0.183 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.097 -1.849 4.276 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.091 -2.544 1.335 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.741 -1.745 3.572 1.00 0.58 H new ATOM 816 N LEU A 100 -10.375 -1.149 -1.458 1.00 0.31 N ATOM 817 CA LEU A 100 -9.810 0.145 -1.785 1.00 0.36 C ATOM 818 C LEU A 100 -10.854 1.249 -1.624 1.00 0.45 C ATOM 819 O LEU A 100 -10.615 2.225 -0.930 1.00 0.79 O ATOM 820 CB LEU A 100 -9.260 0.166 -3.214 1.00 0.37 C ATOM 821 CG LEU A 100 -8.252 -0.931 -3.588 1.00 0.35 C ATOM 822 CD1 LEU A 100 -7.539 -1.527 -2.381 1.00 0.82 C ATOM 823 CD2 LEU A 100 -8.922 -2.013 -4.401 1.00 0.70 C ATOM 0 H LEU A 100 -10.240 -1.868 -2.168 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.988 0.325 -1.092 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.103 0.101 -3.903 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.786 1.133 -3.381 1.00 0.37 H new ATOM 0 HG LEU A 100 -7.483 -0.452 -4.194 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -6.841 -2.295 -2.714 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -6.993 -0.743 -1.857 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -8.272 -1.970 -1.707 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -8.192 -2.781 -4.656 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -9.729 -2.458 -3.819 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -9.330 -1.582 -5.315 1.00 0.70 H new ATOM 835 N ALA A 101 -12.045 1.039 -2.192 1.00 0.28 N ATOM 836 CA ALA A 101 -13.091 2.069 -2.234 1.00 0.33 C ATOM 837 C ALA A 101 -13.753 2.307 -0.868 1.00 0.36 C ATOM 838 O ALA A 101 -14.833 2.894 -0.787 1.00 0.57 O ATOM 839 CB ALA A 101 -14.145 1.690 -3.267 1.00 0.36 C ATOM 0 H ALA A 101 -12.312 0.159 -2.633 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.608 3.005 -2.516 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.919 2.457 -3.295 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.679 1.609 -4.249 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.592 0.733 -2.997 1.00 0.36 H new ATOM 845 N SER A 102 -13.085 1.889 0.194 1.00 0.34 N ATOM 846 CA SER A 102 -13.604 2.011 1.543 1.00 0.36 C ATOM 847 C SER A 102 -12.797 3.042 2.323 1.00 0.36 C ATOM 848 O SER A 102 -11.624 3.285 2.029 1.00 0.46 O ATOM 849 CB SER A 102 -13.537 0.655 2.248 1.00 0.40 C ATOM 850 OG SER A 102 -14.309 -0.319 1.565 1.00 1.39 O ATOM 0 H SER A 102 -12.164 1.454 0.143 1.00 0.34 H new ATOM 0 HA SER A 102 -14.642 2.339 1.495 1.00 0.36 H new ATOM 0 HB2 SER A 102 -12.500 0.324 2.307 1.00 0.40 H new ATOM 0 HB3 SER A 102 -13.898 0.756 3.271 1.00 0.40 H new ATOM 0 HG SER A 102 -13.895 -0.516 0.699 1.00 1.39 H new ATOM 856 N ALA A 103 -13.431 3.643 3.327 1.00 0.35 N ATOM 857 CA ALA A 103 -12.760 4.605 4.191 1.00 0.36 C ATOM 858 C ALA A 103 -11.668 3.916 4.975 1.00 0.29 C ATOM 859 O ALA A 103 -10.708 4.542 5.422 1.00 0.30 O ATOM 860 CB ALA A 103 -13.744 5.230 5.155 1.00 0.44 C ATOM 0 H ALA A 103 -14.410 3.479 3.561 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.329 5.386 3.565 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.225 5.946 5.792 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.526 5.743 4.595 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.192 4.452 5.773 1.00 0.44 H new ATOM 866 N GLU A 104 -11.846 2.619 5.151 1.00 0.29 N ATOM 867 CA GLU A 104 -10.878 1.793 5.834 1.00 0.30 C ATOM 868 C GLU A 104 -9.507 1.926 5.177 1.00 0.26 C ATOM 869 O GLU A 104 -8.508 2.163 5.852 1.00 0.30 O ATOM 870 CB GLU A 104 -11.348 0.338 5.823 1.00 0.39 C ATOM 871 CG GLU A 104 -10.338 -0.639 6.400 1.00 0.49 C ATOM 872 CD GLU A 104 -10.936 -2.007 6.649 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.451 -2.248 7.759 1.00 1.15 O ATOM 874 OE2 GLU A 104 -10.883 -2.857 5.731 1.00 1.81 O ATOM 0 H GLU A 104 -12.668 2.112 4.823 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.788 2.125 6.868 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.277 0.262 6.389 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.575 0.047 4.797 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.495 -0.733 5.715 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.945 -0.241 7.336 1.00 0.49 H new ATOM 881 N PHE A 105 -9.474 1.817 3.856 1.00 0.22 N ATOM 882 CA PHE A 105 -8.224 1.923 3.117 1.00 0.20 C ATOM 883 C PHE A 105 -7.702 3.357 3.151 1.00 0.19 C ATOM 884 O PHE A 105 -6.494 3.581 3.241 1.00 0.16 O ATOM 885 CB PHE A 105 -8.412 1.448 1.679 1.00 0.21 C ATOM 886 CG PHE A 105 -7.118 1.300 0.939 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.037 0.688 1.550 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.978 1.768 -0.356 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.840 0.546 0.885 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.780 1.628 -1.029 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.710 1.018 -0.406 1.00 0.16 C ATOM 0 H PHE A 105 -10.297 1.656 3.275 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.484 1.281 3.594 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.934 0.491 1.683 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.049 2.156 1.148 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.134 0.318 2.560 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.813 2.247 -0.845 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.004 0.066 1.372 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.681 1.995 -2.040 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.771 0.910 -0.928 1.00 0.16 H new ATOM 901 N CYS A 106 -8.615 4.324 3.073 1.00 0.27 N ATOM 902 CA CYS A 106 -8.264 5.729 3.266 1.00 0.27 C ATOM 903 C CYS A 106 -7.503 5.936 4.579 1.00 0.27 C ATOM 904 O CYS A 106 -6.512 6.665 4.614 1.00 0.28 O ATOM 905 CB CYS A 106 -9.524 6.596 3.238 1.00 0.29 C ATOM 906 SG CYS A 106 -10.218 6.824 1.586 1.00 0.59 S ATOM 0 H CYS A 106 -9.603 4.160 2.878 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.608 6.029 2.449 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.280 6.143 3.880 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -9.291 7.573 3.662 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.571 8.065 1.431 1.00 0.59 H new ATOM 912 N ASN A 107 -7.965 5.286 5.650 1.00 0.28 N ATOM 913 CA ASN A 107 -7.257 5.304 6.936 1.00 0.30 C ATOM 914 C ASN A 107 -5.843 4.798 6.770 1.00 0.24 C ATOM 915 O ASN A 107 -4.885 5.491 7.097 1.00 0.23 O ATOM 916 CB ASN A 107 -7.960 4.426 7.967 1.00 0.37 C ATOM 917 CG ASN A 107 -9.102 5.128 8.680 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.909 5.732 9.733 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.296 5.058 8.115 1.00 0.64 N ATOM 0 H ASN A 107 -8.827 4.740 5.654 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.249 6.337 7.283 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.344 3.534 7.472 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.231 4.092 8.706 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -11.095 5.515 8.554 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.417 4.547 7.240 1.00 0.64 H new ATOM 926 N ILE A 108 -5.735 3.590 6.237 1.00 0.21 N ATOM 927 CA ILE A 108 -4.450 2.947 6.018 1.00 0.17 C ATOM 928 C ILE A 108 -3.503 3.877 5.272 1.00 0.12 C ATOM 929 O ILE A 108 -2.395 4.149 5.727 1.00 0.12 O ATOM 930 CB ILE A 108 -4.649 1.641 5.217 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.838 0.453 6.156 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.514 1.384 4.239 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.205 0.409 6.786 1.00 0.39 C ATOM 0 H ILE A 108 -6.535 3.029 5.945 1.00 0.21 H new ATOM 0 HA ILE A 108 -4.009 2.712 6.987 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.556 1.764 4.625 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.670 -0.471 5.602 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.084 0.495 6.942 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.701 0.455 3.701 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.452 2.209 3.529 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.574 1.304 4.785 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.275 -0.459 7.442 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.368 1.317 7.366 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.963 0.336 6.006 1.00 0.39 H new ATOM 945 N LEU A 109 -3.973 4.380 4.146 1.00 0.12 N ATOM 946 CA LEU A 109 -3.197 5.280 3.312 1.00 0.12 C ATOM 947 C LEU A 109 -2.803 6.548 4.044 1.00 0.13 C ATOM 948 O LEU A 109 -1.627 6.900 4.092 1.00 0.13 O ATOM 949 CB LEU A 109 -3.994 5.620 2.072 1.00 0.15 C ATOM 950 CG LEU A 109 -3.883 4.581 0.980 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.987 4.762 -0.021 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.537 4.697 0.309 1.00 0.17 C ATOM 0 H LEU A 109 -4.904 4.176 3.783 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.273 4.771 3.038 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.043 5.738 2.345 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.655 6.581 1.684 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.977 3.587 1.417 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.897 4.008 -0.803 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.951 4.655 0.477 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.916 5.755 -0.465 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.457 3.948 -0.478 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.431 5.691 -0.124 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.749 4.536 1.044 1.00 0.17 H new ATOM 964 N SER A 110 -3.785 7.220 4.616 1.00 0.16 N ATOM 965 CA SER A 110 -3.545 8.452 5.349 1.00 0.20 C ATOM 966 C SER A 110 -2.508 8.224 6.444 1.00 0.19 C ATOM 967 O SER A 110 -1.683 9.089 6.725 1.00 0.22 O ATOM 968 CB SER A 110 -4.846 8.959 5.969 1.00 0.28 C ATOM 969 OG SER A 110 -4.676 10.246 6.544 1.00 1.18 O ATOM 0 H SER A 110 -4.763 6.932 4.587 1.00 0.16 H new ATOM 0 HA SER A 110 -3.166 9.200 4.652 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.624 8.999 5.206 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.184 8.259 6.733 1.00 0.28 H new ATOM 0 HG SER A 110 -5.525 10.546 6.932 1.00 1.18 H new ATOM 975 N ARG A 111 -2.566 7.051 7.053 1.00 0.18 N ATOM 976 CA ARG A 111 -1.664 6.700 8.129 1.00 0.19 C ATOM 977 C ARG A 111 -0.259 6.345 7.617 1.00 0.16 C ATOM 978 O ARG A 111 0.706 7.023 7.963 1.00 0.17 O ATOM 979 CB ARG A 111 -2.276 5.557 8.945 1.00 0.25 C ATOM 980 CG ARG A 111 -3.516 5.982 9.722 1.00 0.33 C ATOM 981 CD ARG A 111 -4.123 4.834 10.512 1.00 1.22 C ATOM 982 NE ARG A 111 -5.289 5.275 11.279 1.00 1.97 N ATOM 983 CZ ARG A 111 -6.251 4.468 11.727 1.00 2.79 C ATOM 984 NH1 ARG A 111 -6.217 3.166 11.468 1.00 3.10 N ATOM 985 NH2 ARG A 111 -7.260 4.977 12.424 1.00 3.73 N ATOM 0 H ARG A 111 -3.237 6.321 6.814 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.535 7.570 8.773 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.536 4.738 8.275 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.530 5.174 9.642 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.255 6.791 10.404 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.259 6.376 9.029 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.414 4.035 9.831 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -3.375 4.420 11.188 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.371 6.270 11.485 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -5.450 2.775 10.922 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -6.958 2.557 11.816 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -7.295 5.979 12.613 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -8.000 4.366 12.770 1.00 3.73 H new ATOM 999 N VAL A 112 -0.143 5.330 6.758 1.00 0.15 N ATOM 1000 CA VAL A 112 1.175 4.842 6.335 1.00 0.14 C ATOM 1001 C VAL A 112 1.907 5.843 5.446 1.00 0.14 C ATOM 1002 O VAL A 112 3.108 6.061 5.617 1.00 0.15 O ATOM 1003 CB VAL A 112 1.123 3.478 5.608 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.584 2.394 6.521 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.311 3.567 4.335 1.00 0.15 C ATOM 0 H VAL A 112 -0.933 4.834 6.345 1.00 0.15 H new ATOM 0 HA VAL A 112 1.726 4.712 7.267 1.00 0.14 H new ATOM 0 HB VAL A 112 2.143 3.210 5.334 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.558 1.446 5.984 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.230 2.299 7.394 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.424 2.657 6.842 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.293 2.593 3.846 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.708 3.872 4.574 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.762 4.300 3.666 1.00 0.15 H new ATOM 1015 N LEU A 113 1.194 6.459 4.508 1.00 0.15 N ATOM 1016 CA LEU A 113 1.799 7.411 3.612 1.00 0.16 C ATOM 1017 C LEU A 113 2.368 8.585 4.397 1.00 0.17 C ATOM 1018 O LEU A 113 3.500 9.010 4.168 1.00 0.20 O ATOM 1019 CB LEU A 113 0.759 7.872 2.593 1.00 0.16 C ATOM 1020 CG LEU A 113 0.795 9.351 2.256 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.972 9.667 1.348 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.511 9.778 1.618 1.00 0.27 C ATOM 0 H LEU A 113 0.197 6.309 4.357 1.00 0.15 H new ATOM 0 HA LEU A 113 2.625 6.943 3.077 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.898 7.303 1.674 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.233 7.627 2.973 1.00 0.16 H new ATOM 0 HG LEU A 113 0.924 9.914 3.180 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.979 10.733 1.119 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.901 9.398 1.850 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.881 9.098 0.423 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.470 10.841 1.382 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.672 9.209 0.702 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.332 9.591 2.310 1.00 0.27 H new ATOM 1034 N SER A 114 1.585 9.083 5.343 1.00 0.17 N ATOM 1035 CA SER A 114 1.990 10.217 6.155 1.00 0.21 C ATOM 1036 C SER A 114 3.202 9.856 7.015 1.00 0.18 C ATOM 1037 O SER A 114 4.103 10.674 7.207 1.00 0.20 O ATOM 1038 CB SER A 114 0.814 10.673 7.017 1.00 0.26 C ATOM 1039 OG SER A 114 1.126 11.834 7.770 1.00 1.06 O ATOM 0 H SER A 114 0.660 8.715 5.567 1.00 0.17 H new ATOM 0 HA SER A 114 2.284 11.041 5.504 1.00 0.21 H new ATOM 0 HB2 SER A 114 -0.046 10.875 6.379 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.527 9.868 7.694 1.00 0.26 H new ATOM 0 HG SER A 114 0.348 12.095 8.307 1.00 1.06 H new ATOM 1045 N ARG A 115 3.225 8.623 7.516 1.00 0.15 N ATOM 1046 CA ARG A 115 4.380 8.110 8.236 1.00 0.16 C ATOM 1047 C ARG A 115 5.633 8.168 7.365 1.00 0.15 C ATOM 1048 O ARG A 115 6.687 8.615 7.812 1.00 0.18 O ATOM 1049 CB ARG A 115 4.126 6.673 8.676 1.00 0.20 C ATOM 1050 CG ARG A 115 3.044 6.545 9.725 1.00 0.31 C ATOM 1051 CD ARG A 115 3.485 7.121 11.053 1.00 0.53 C ATOM 1052 NE ARG A 115 2.471 6.928 12.085 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.735 6.815 13.385 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.986 6.857 13.826 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.744 6.649 14.250 1.00 1.62 N ATOM 0 H ARG A 115 2.453 7.962 7.434 1.00 0.15 H new ATOM 0 HA ARG A 115 4.539 8.735 9.115 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.849 6.079 7.805 1.00 0.20 H new ATOM 0 HB3 ARG A 115 5.052 6.252 9.068 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.145 7.059 9.386 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.782 5.495 9.852 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.416 6.648 11.364 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.691 8.185 10.938 1.00 0.53 H new ATOM 0 HE ARG A 115 1.496 6.876 11.791 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.755 6.977 13.167 1.00 1.63 H new ATOM 0 HH12 ARG A 115 4.178 6.770 14.824 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.780 6.608 13.919 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.946 6.562 15.246 1.00 1.62 H new ATOM 1069 N ALA A 116 5.499 7.728 6.116 1.00 0.15 N ATOM 1070 CA ALA A 116 6.625 7.671 5.187 1.00 0.18 C ATOM 1071 C ALA A 116 7.068 9.060 4.737 1.00 0.21 C ATOM 1072 O ALA A 116 8.254 9.301 4.511 1.00 0.25 O ATOM 1073 CB ALA A 116 6.267 6.815 3.988 1.00 0.20 C ATOM 0 H ALA A 116 4.616 7.404 5.722 1.00 0.15 H new ATOM 0 HA ALA A 116 7.465 7.220 5.715 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.113 6.779 3.301 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.026 5.805 4.321 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.404 7.245 3.479 1.00 0.20 H new ATOM 1079 N ARG A 117 6.112 9.969 4.594 1.00 0.23 N ATOM 1080 CA ARG A 117 6.420 11.360 4.268 1.00 0.28 C ATOM 1081 C ARG A 117 7.250 11.990 5.381 1.00 0.29 C ATOM 1082 O ARG A 117 8.051 12.895 5.144 1.00 0.39 O ATOM 1083 CB ARG A 117 5.131 12.157 4.057 1.00 0.38 C ATOM 1084 CG ARG A 117 4.312 11.668 2.877 1.00 1.06 C ATOM 1085 CD ARG A 117 4.413 12.600 1.675 1.00 1.15 C ATOM 1086 NE ARG A 117 3.236 13.461 1.555 1.00 1.75 N ATOM 1087 CZ ARG A 117 2.546 13.630 0.425 1.00 2.25 C ATOM 1088 NH1 ARG A 117 2.988 13.121 -0.717 1.00 2.33 N ATOM 1089 NH2 ARG A 117 1.432 14.341 0.434 1.00 2.99 N ATOM 0 H ARG A 117 5.117 9.771 4.698 1.00 0.23 H new ATOM 0 HA ARG A 117 6.997 11.380 3.343 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.524 12.100 4.961 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.381 13.207 3.907 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.650 10.672 2.591 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.268 11.576 3.176 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.307 13.217 1.767 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.526 12.010 0.766 1.00 1.15 H new ATOM 0 HE ARG A 117 2.924 13.963 2.386 1.00 1.75 H new ATOM 0 HH11 ARG A 117 3.862 12.595 -0.737 1.00 2.33 H new ATOM 0 HH12 ARG A 117 2.454 13.255 -1.576 1.00 2.33 H new ATOM 0 HH21 ARG A 117 1.101 14.759 1.303 1.00 2.99 H new ATOM 0 HH22 ARG A 117 0.903 14.471 -0.428 1.00 2.99 H new ATOM 1103 N SER A 118 7.048 11.504 6.595 1.00 0.28 N ATOM 1104 CA SER A 118 7.833 11.946 7.735 1.00 0.33 C ATOM 1105 C SER A 118 9.154 11.200 7.777 1.00 0.32 C ATOM 1106 O SER A 118 10.231 11.800 7.767 1.00 0.41 O ATOM 1107 CB SER A 118 7.070 11.696 9.034 1.00 0.38 C ATOM 1108 OG SER A 118 7.567 12.499 10.093 1.00 0.62 O ATOM 0 H SER A 118 6.344 10.800 6.816 1.00 0.28 H new ATOM 0 HA SER A 118 8.022 13.014 7.631 1.00 0.33 H new ATOM 0 HB2 SER A 118 6.012 11.908 8.882 1.00 0.38 H new ATOM 0 HB3 SER A 118 7.149 10.644 9.306 1.00 0.38 H new ATOM 0 HG SER A 118 7.056 12.316 10.909 1.00 0.62 H new ATOM 1114 N ARG A 119 9.048 9.883 7.814 1.00 0.26 N ATOM 1115 CA ARG A 119 10.197 9.008 7.928 1.00 0.28 C ATOM 1116 C ARG A 119 10.423 8.190 6.661 1.00 0.26 C ATOM 1117 O ARG A 119 9.950 7.056 6.552 1.00 0.25 O ATOM 1118 CB ARG A 119 10.042 8.055 9.101 1.00 0.33 C ATOM 1119 CG ARG A 119 9.968 8.736 10.440 1.00 0.47 C ATOM 1120 CD ARG A 119 8.558 9.136 10.755 1.00 1.28 C ATOM 1121 NE ARG A 119 8.360 9.346 12.189 1.00 1.54 N ATOM 1122 CZ ARG A 119 7.178 9.554 12.764 1.00 2.39 C ATOM 1123 NH1 ARG A 119 6.072 9.579 12.032 1.00 3.26 N ATOM 1124 NH2 ARG A 119 7.109 9.736 14.077 1.00 2.60 N ATOM 0 H ARG A 119 8.156 9.390 7.765 1.00 0.26 H new ATOM 0 HA ARG A 119 11.060 9.655 8.087 1.00 0.28 H new ATOM 0 HB2 ARG A 119 9.139 7.462 8.957 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.882 7.361 9.105 1.00 0.33 H new ATOM 0 HG2 ARG A 119 10.343 8.067 11.215 1.00 0.47 H new ATOM 0 HG3 ARG A 119 10.610 9.617 10.441 1.00 0.47 H new ATOM 0 HD2 ARG A 119 8.311 10.051 10.216 1.00 1.28 H new ATOM 0 HD3 ARG A 119 7.874 8.364 10.403 1.00 1.28 H new ATOM 0 HE ARG A 119 9.184 9.332 12.789 1.00 1.54 H new ATOM 0 HH11 ARG A 119 6.125 9.438 11.023 1.00 3.26 H new ATOM 0 HH12 ARG A 119 5.169 9.739 12.478 1.00 3.26 H new ATOM 0 HH21 ARG A 119 7.959 9.716 14.640 1.00 2.60 H new ATOM 0 HH22 ARG A 119 6.206 9.896 14.523 1.00 2.60 H new ATOM 1138 N PRO A 120 11.154 8.749 5.695 1.00 0.29 N ATOM 1139 CA PRO A 120 11.624 8.013 4.517 1.00 0.30 C ATOM 1140 C PRO A 120 12.470 6.817 4.929 1.00 0.27 C ATOM 1141 O PRO A 120 12.553 5.811 4.221 1.00 0.28 O ATOM 1142 CB PRO A 120 12.491 9.037 3.782 1.00 0.37 C ATOM 1143 CG PRO A 120 12.798 10.080 4.797 1.00 0.38 C ATOM 1144 CD PRO A 120 11.584 10.144 5.664 1.00 0.35 C ATOM 0 HA PRO A 120 10.807 7.620 3.912 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.403 8.579 3.398 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.963 9.461 2.928 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.683 9.819 5.376 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.998 11.042 4.326 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.815 10.521 6.660 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.818 10.797 5.245 1.00 0.35 H new ATOM 1152 N ALA A 121 13.078 6.951 6.099 1.00 0.25 N ATOM 1153 CA ALA A 121 13.929 5.926 6.675 1.00 0.28 C ATOM 1154 C ALA A 121 13.191 4.599 6.853 1.00 0.27 C ATOM 1155 O ALA A 121 13.789 3.528 6.759 1.00 0.35 O ATOM 1156 CB ALA A 121 14.462 6.418 8.008 1.00 0.33 C ATOM 0 H ALA A 121 12.992 7.785 6.680 1.00 0.25 H new ATOM 0 HA ALA A 121 14.754 5.739 5.988 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.103 5.654 8.448 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.038 7.331 7.855 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.628 6.624 8.680 1.00 0.33 H new ATOM 1162 N LYS A 122 11.893 4.669 7.111 1.00 0.22 N ATOM 1163 CA LYS A 122 11.095 3.470 7.294 1.00 0.27 C ATOM 1164 C LYS A 122 9.936 3.439 6.311 1.00 0.19 C ATOM 1165 O LYS A 122 8.970 2.701 6.499 1.00 0.18 O ATOM 1166 CB LYS A 122 10.598 3.383 8.734 1.00 0.39 C ATOM 1167 CG LYS A 122 11.705 3.039 9.717 1.00 0.49 C ATOM 1168 CD LYS A 122 11.570 1.614 10.234 1.00 0.66 C ATOM 1169 CE LYS A 122 10.454 1.488 11.263 1.00 1.28 C ATOM 1170 NZ LYS A 122 10.303 0.092 11.757 1.00 1.79 N ATOM 0 H LYS A 122 11.373 5.542 7.198 1.00 0.22 H new ATOM 0 HA LYS A 122 11.721 2.600 7.095 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.149 4.335 9.017 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.813 2.629 8.798 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.674 3.161 9.233 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.678 3.735 10.555 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.372 0.942 9.399 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.513 1.299 10.680 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.661 2.149 12.104 1.00 1.28 H new ATOM 0 HE3 LYS A 122 9.514 1.819 10.821 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 9.293 -0.134 11.857 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 10.739 -0.565 11.079 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 10.772 -0.002 12.681 1.00 1.79 H new ATOM 1184 N LEU A 123 10.065 4.239 5.252 1.00 0.17 N ATOM 1185 CA LEU A 123 9.121 4.252 4.144 1.00 0.14 C ATOM 1186 C LEU A 123 8.786 2.839 3.682 1.00 0.12 C ATOM 1187 O LEU A 123 7.637 2.533 3.380 1.00 0.12 O ATOM 1188 CB LEU A 123 9.736 5.040 2.993 1.00 0.16 C ATOM 1189 CG LEU A 123 9.144 4.774 1.618 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.860 5.549 1.419 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.161 5.128 0.563 1.00 0.21 C ATOM 0 H LEU A 123 10.835 4.899 5.142 1.00 0.17 H new ATOM 0 HA LEU A 123 8.194 4.719 4.475 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.636 6.103 3.211 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.803 4.821 2.957 1.00 0.16 H new ATOM 0 HG LEU A 123 8.897 3.716 1.534 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.459 5.340 0.427 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.134 5.250 2.175 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.061 6.616 1.511 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.741 4.939 -0.425 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.424 6.182 0.650 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.055 4.519 0.700 1.00 0.21 H new ATOM 1203 N TYR A 124 9.794 1.973 3.656 1.00 0.13 N ATOM 1204 CA TYR A 124 9.610 0.610 3.185 1.00 0.13 C ATOM 1205 C TYR A 124 8.647 -0.143 4.069 1.00 0.13 C ATOM 1206 O TYR A 124 7.801 -0.849 3.569 1.00 0.14 O ATOM 1207 CB TYR A 124 10.933 -0.134 3.105 1.00 0.14 C ATOM 1208 CG TYR A 124 11.781 0.262 1.930 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.621 1.364 1.982 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.745 -0.483 0.766 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.399 1.713 0.898 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.514 -0.147 -0.313 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.345 0.951 -0.249 1.00 0.24 C ATOM 1214 OH TYR A 124 14.121 1.292 -1.332 1.00 0.31 O ATOM 0 H TYR A 124 10.744 2.193 3.955 1.00 0.13 H new ATOM 0 HA TYR A 124 9.190 0.670 2.181 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.495 0.043 4.022 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.735 -1.205 3.054 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.667 1.957 2.883 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.098 -1.346 0.708 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.045 2.577 0.948 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.471 -0.741 -1.214 1.00 0.19 H new ATOM 0 HH TYR A 124 14.941 1.731 -1.022 1.00 0.31 H new ATOM 1224 N VAL A 125 8.771 0.009 5.377 1.00 0.13 N ATOM 1225 CA VAL A 125 7.809 -0.597 6.298 1.00 0.14 C ATOM 1226 C VAL A 125 6.379 -0.231 5.916 1.00 0.12 C ATOM 1227 O VAL A 125 5.492 -1.078 5.922 1.00 0.14 O ATOM 1228 CB VAL A 125 8.070 -0.170 7.749 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.955 -0.661 8.672 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.426 -0.694 8.190 1.00 0.23 C ATOM 0 H VAL A 125 9.517 0.539 5.826 1.00 0.13 H new ATOM 0 HA VAL A 125 7.937 -1.677 6.222 1.00 0.14 H new ATOM 0 HB VAL A 125 8.078 0.918 7.808 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.164 -0.346 9.694 1.00 0.19 H new ATOM 0 HG12 VAL A 125 6.003 -0.239 8.349 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.902 -1.749 8.632 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.615 -0.393 9.220 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.435 -1.782 8.123 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.202 -0.284 7.544 1.00 0.23 H new ATOM 1240 N TYR A 126 6.174 1.025 5.561 1.00 0.11 N ATOM 1241 CA TYR A 126 4.858 1.506 5.180 1.00 0.11 C ATOM 1242 C TYR A 126 4.496 0.994 3.789 1.00 0.10 C ATOM 1243 O TYR A 126 3.333 0.726 3.497 1.00 0.11 O ATOM 1244 CB TYR A 126 4.838 3.030 5.261 1.00 0.12 C ATOM 1245 CG TYR A 126 5.424 3.524 6.565 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.972 3.015 7.776 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.448 4.460 6.590 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.520 3.428 8.972 1.00 0.20 C ATOM 1249 CE2 TYR A 126 7.004 4.877 7.784 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.538 4.358 8.972 1.00 0.20 C ATOM 1251 OH TYR A 126 7.089 4.773 10.163 1.00 0.25 O ATOM 0 H TYR A 126 6.907 1.734 5.529 1.00 0.11 H new ATOM 0 HA TYR A 126 4.103 1.124 5.867 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.402 3.447 4.427 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.813 3.387 5.163 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.178 2.283 7.781 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.816 4.869 5.661 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.154 3.025 9.905 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.800 5.607 7.786 1.00 0.20 H new ATOM 0 HH TYR A 126 7.795 5.429 9.986 1.00 0.25 H new ATOM 1261 N ILE A 127 5.513 0.851 2.943 1.00 0.11 N ATOM 1262 CA ILE A 127 5.379 0.149 1.667 1.00 0.11 C ATOM 1263 C ILE A 127 4.910 -1.281 1.915 1.00 0.11 C ATOM 1264 O ILE A 127 3.944 -1.753 1.317 1.00 0.11 O ATOM 1265 CB ILE A 127 6.735 0.117 0.914 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.101 1.519 0.428 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.688 -0.853 -0.249 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.572 1.706 0.128 1.00 0.11 C ATOM 0 H ILE A 127 6.449 1.216 3.120 1.00 0.11 H new ATOM 0 HA ILE A 127 4.648 0.680 1.057 1.00 0.11 H new ATOM 0 HB ILE A 127 7.503 -0.227 1.607 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.527 1.741 -0.472 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.801 2.244 1.185 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.651 -0.856 -0.760 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.471 -1.855 0.121 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.908 -0.547 -0.947 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.747 2.727 -0.211 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.154 1.518 1.030 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.876 1.008 -0.652 1.00 0.11 H new ATOM 1280 N ASN A 128 5.611 -1.945 2.824 1.00 0.12 N ATOM 1281 CA ASN A 128 5.313 -3.302 3.232 1.00 0.14 C ATOM 1282 C ASN A 128 3.888 -3.398 3.749 1.00 0.14 C ATOM 1283 O ASN A 128 3.121 -4.269 3.336 1.00 0.16 O ATOM 1284 CB ASN A 128 6.278 -3.723 4.349 1.00 0.20 C ATOM 1285 CG ASN A 128 7.710 -3.967 3.894 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.451 -4.710 4.530 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.115 -3.349 2.803 1.00 0.26 N ATOM 0 H ASN A 128 6.416 -1.544 3.304 1.00 0.12 H new ATOM 0 HA ASN A 128 5.427 -3.959 2.370 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.282 -2.950 5.117 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.899 -4.633 4.814 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.068 -3.482 2.465 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.475 -2.737 2.296 1.00 0.26 H new ATOM 1294 N GLU A 129 3.551 -2.489 4.663 1.00 0.13 N ATOM 1295 CA GLU A 129 2.218 -2.428 5.232 1.00 0.16 C ATOM 1296 C GLU A 129 1.185 -2.286 4.150 1.00 0.15 C ATOM 1297 O GLU A 129 0.377 -3.172 3.949 1.00 0.17 O ATOM 1298 CB GLU A 129 2.094 -1.246 6.188 1.00 0.23 C ATOM 1299 CG GLU A 129 2.803 -1.468 7.500 1.00 0.29 C ATOM 1300 CD GLU A 129 2.564 -0.356 8.500 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.397 -0.155 8.899 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.542 0.304 8.902 1.00 1.03 O ATOM 0 H GLU A 129 4.193 -1.783 5.023 1.00 0.13 H new ATOM 0 HA GLU A 129 2.049 -3.357 5.777 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.500 -0.355 5.709 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.039 -1.052 6.381 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.471 -2.413 7.930 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.874 -1.560 7.317 1.00 0.29 H new ATOM 1309 N LEU A 130 1.269 -1.187 3.427 1.00 0.14 N ATOM 1310 CA LEU A 130 0.321 -0.861 2.375 1.00 0.15 C ATOM 1311 C LEU A 130 0.163 -2.019 1.388 1.00 0.15 C ATOM 1312 O LEU A 130 -0.949 -2.352 0.990 1.00 0.18 O ATOM 1313 CB LEU A 130 0.818 0.393 1.665 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.180 1.106 0.764 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.506 1.314 1.484 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.410 2.438 0.339 1.00 0.12 C ATOM 0 H LEU A 130 2.002 -0.489 3.552 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.662 -0.683 2.810 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.160 1.100 2.421 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.687 0.123 1.065 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.375 0.494 -0.116 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.204 1.825 0.821 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.920 0.347 1.771 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.344 1.919 2.377 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.296 2.959 -0.308 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.610 3.045 1.222 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.340 2.268 -0.203 1.00 0.12 H new ATOM 1328 N CYS A 131 1.279 -2.645 1.027 1.00 0.14 N ATOM 1329 CA CYS A 131 1.260 -3.781 0.113 1.00 0.17 C ATOM 1330 C CYS A 131 0.511 -4.964 0.725 1.00 0.18 C ATOM 1331 O CYS A 131 -0.353 -5.566 0.081 1.00 0.21 O ATOM 1332 CB CYS A 131 2.692 -4.197 -0.239 1.00 0.20 C ATOM 1333 SG CYS A 131 2.807 -5.544 -1.436 1.00 0.53 S ATOM 0 H CYS A 131 2.209 -2.384 1.354 1.00 0.14 H new ATOM 0 HA CYS A 131 0.739 -3.477 -0.795 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.222 -3.330 -0.634 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.205 -4.495 0.675 1.00 0.20 H new ATOM 0 HG CYS A 131 4.037 -5.662 -1.840 1.00 0.53 H new ATOM 1339 N THR A 132 0.836 -5.290 1.973 1.00 0.19 N ATOM 1340 CA THR A 132 0.183 -6.393 2.662 1.00 0.23 C ATOM 1341 C THR A 132 -1.271 -6.043 2.936 1.00 0.21 C ATOM 1342 O THR A 132 -2.163 -6.879 2.816 1.00 0.22 O ATOM 1343 CB THR A 132 0.876 -6.718 3.997 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.283 -6.885 3.793 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.296 -7.983 4.601 1.00 0.36 C ATOM 0 H THR A 132 1.545 -4.807 2.524 1.00 0.19 H new ATOM 0 HA THR A 132 0.247 -7.268 2.015 1.00 0.23 H new ATOM 0 HB THR A 132 0.707 -5.888 4.684 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.694 -6.013 3.618 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.797 -8.199 5.545 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.770 -7.845 4.780 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.444 -8.816 3.913 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.480 -4.783 3.279 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.793 -4.227 3.545 1.00 0.17 C ATOM 1355 C VAL A 133 -3.737 -4.517 2.391 1.00 0.18 C ATOM 1356 O VAL A 133 -4.893 -4.890 2.595 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.686 -2.697 3.766 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.016 -2.004 3.535 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.161 -2.382 5.165 1.00 0.18 C ATOM 0 H VAL A 133 -0.725 -4.105 3.382 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.190 -4.692 4.447 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.976 -2.314 3.033 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.901 -0.933 3.699 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.345 -2.181 2.511 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.758 -2.400 4.228 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.095 -1.302 5.294 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.840 -2.796 5.910 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.172 -2.823 5.290 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.222 -4.368 1.183 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.001 -4.604 -0.012 1.00 0.20 C ATOM 1371 C LEU A 134 -4.566 -6.019 -0.029 1.00 0.23 C ATOM 1372 O LEU A 134 -5.767 -6.201 -0.166 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.138 -4.354 -1.247 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.608 -2.926 -1.359 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.669 -2.778 -2.536 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.755 -1.947 -1.477 1.00 0.20 C ATOM 0 H LEU A 134 -2.259 -4.082 1.007 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.843 -3.912 -0.020 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.294 -5.043 -1.233 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.722 -4.584 -2.138 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.046 -2.706 -0.451 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.310 -1.750 -2.588 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.822 -3.453 -2.413 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.198 -3.024 -3.457 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.362 -0.934 -1.556 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.341 -2.179 -2.366 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.390 -2.022 -0.594 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.714 -7.018 0.147 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.164 -8.402 0.060 1.00 0.29 C ATOM 1390 C LYS A 135 -4.803 -8.898 1.350 1.00 0.30 C ATOM 1391 O LYS A 135 -5.690 -9.741 1.321 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.025 -9.322 -0.357 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.864 -9.411 -1.861 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.160 -9.846 -2.535 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.943 -10.095 -4.019 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.184 -10.533 -4.706 1.00 1.59 N ATOM 0 H LYS A 135 -2.721 -6.901 0.348 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.937 -8.425 -0.708 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.094 -8.963 0.083 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.204 -10.319 0.045 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.556 -8.442 -2.253 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.071 -10.119 -2.102 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.534 -10.753 -2.061 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.921 -9.078 -2.399 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.574 -9.183 -4.488 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.172 -10.854 -4.148 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.970 -11.335 -5.332 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.888 -10.825 -3.998 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.565 -9.746 -5.270 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.350 -8.378 2.475 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.847 -8.822 3.772 1.00 0.30 C ATOM 1412 C ALA A 136 -6.282 -8.376 3.996 1.00 0.31 C ATOM 1413 O ALA A 136 -7.055 -9.051 4.675 1.00 0.37 O ATOM 1414 CB ALA A 136 -3.964 -8.298 4.894 1.00 0.33 C ATOM 0 H ALA A 136 -3.639 -7.648 2.521 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.820 -9.912 3.777 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.352 -8.641 5.853 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -2.948 -8.669 4.761 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -3.958 -7.208 4.874 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.640 -7.231 3.438 1.00 0.30 N ATOM 1421 CA HIS A 137 -7.945 -6.653 3.700 1.00 0.35 C ATOM 1422 C HIS A 137 -8.817 -6.638 2.445 1.00 0.35 C ATOM 1423 O HIS A 137 -9.893 -6.044 2.435 1.00 0.54 O ATOM 1424 CB HIS A 137 -7.783 -5.245 4.279 1.00 0.39 C ATOM 1425 CG HIS A 137 -6.817 -5.185 5.423 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -5.558 -4.700 5.480 1.00 0.48 N flip ATOM 1427 CD2 HIS A 137 -7.077 -5.705 6.671 1.00 0.43 C flip ATOM 1428 CE1 HIS A 137 -5.078 -4.935 6.741 1.00 0.51 C flip ATOM 1429 NE2 HIS A 137 -6.015 -5.545 7.440 1.00 0.49 N flip ATOM 0 H HIS A 137 -6.050 -6.689 2.807 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.456 -7.277 4.433 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.445 -4.572 3.491 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -8.755 -4.882 4.613 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -8.003 -6.170 6.974 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -4.096 -4.666 7.102 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.933 -5.843 8.412 1.00 0.49 H new ATOM 1438 N SER A 138 -8.364 -7.309 1.394 1.00 0.31 N ATOM 1439 CA SER A 138 -9.147 -7.439 0.175 1.00 0.33 C ATOM 1440 C SER A 138 -8.909 -8.825 -0.420 1.00 0.55 C ATOM 1441 O SER A 138 -8.239 -9.643 0.200 1.00 1.05 O ATOM 1442 CB SER A 138 -8.773 -6.337 -0.830 1.00 0.38 C ATOM 1443 OG SER A 138 -7.722 -6.752 -1.678 1.00 1.00 O ATOM 0 H SER A 138 -7.456 -7.772 1.363 1.00 0.31 H new ATOM 0 HA SER A 138 -10.206 -7.324 0.407 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.646 -6.077 -1.429 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.476 -5.437 -0.292 1.00 0.38 H new ATOM 0 HG SER A 138 -6.891 -6.814 -1.162 1.00 1.00 H new ATOM 1624 N SER B 27 4.096 -10.769 2.263 1.00 0.55 N ATOM 1625 CA SER B 27 3.694 -9.703 3.172 1.00 0.54 C ATOM 1626 C SER B 27 4.737 -8.585 3.127 1.00 0.44 C ATOM 1627 O SER B 27 5.060 -8.074 2.054 1.00 0.53 O ATOM 1628 CB SER B 27 3.540 -10.236 4.602 1.00 0.75 C ATOM 1629 OG SER B 27 3.043 -9.241 5.485 1.00 1.37 O ATOM 0 HA SER B 27 2.727 -9.311 2.857 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.864 -11.091 4.600 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.505 -10.593 4.963 1.00 0.75 H new ATOM 0 HG SER B 27 2.873 -8.416 4.985 1.00 1.37 H new ATOM 1635 N ASP B 28 5.278 -8.225 4.288 1.00 0.43 N ATOM 1636 CA ASP B 28 6.287 -7.176 4.378 1.00 0.37 C ATOM 1637 C ASP B 28 7.584 -7.648 3.745 1.00 0.33 C ATOM 1638 O ASP B 28 8.204 -6.939 2.950 1.00 0.31 O ATOM 1639 CB ASP B 28 6.548 -6.785 5.843 1.00 0.44 C ATOM 1640 CG ASP B 28 5.277 -6.579 6.643 1.00 0.95 C ATOM 1641 OD1 ASP B 28 4.626 -5.524 6.466 1.00 1.83 O ATOM 1642 OD2 ASP B 28 4.917 -7.467 7.443 1.00 1.07 O ATOM 0 H ASP B 28 5.032 -8.647 5.183 1.00 0.43 H new ATOM 0 HA ASP B 28 5.913 -6.302 3.845 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.147 -7.562 6.318 1.00 0.44 H new ATOM 0 HB3 ASP B 28 7.138 -5.869 5.868 1.00 0.44 H new ATOM 1647 N SER B 29 7.973 -8.870 4.071 1.00 0.36 N ATOM 1648 CA SER B 29 9.230 -9.420 3.598 1.00 0.34 C ATOM 1649 C SER B 29 9.270 -9.548 2.081 1.00 0.33 C ATOM 1650 O SER B 29 10.344 -9.678 1.503 1.00 0.34 O ATOM 1651 CB SER B 29 9.501 -10.762 4.254 1.00 0.39 C ATOM 1652 OG SER B 29 8.317 -11.300 4.823 1.00 1.07 O ATOM 0 H SER B 29 7.433 -9.501 4.664 1.00 0.36 H new ATOM 0 HA SER B 29 10.016 -8.720 3.881 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.902 -11.457 3.516 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.260 -10.646 5.028 1.00 0.39 H new ATOM 0 HG SER B 29 8.166 -10.899 5.704 1.00 1.07 H new ATOM 1658 N GLU B 30 8.104 -9.491 1.449 1.00 0.35 N ATOM 1659 CA GLU B 30 7.996 -9.542 -0.004 1.00 0.37 C ATOM 1660 C GLU B 30 8.836 -8.442 -0.640 1.00 0.34 C ATOM 1661 O GLU B 30 9.425 -8.617 -1.707 1.00 0.39 O ATOM 1662 CB GLU B 30 6.542 -9.382 -0.417 1.00 0.45 C ATOM 1663 CG GLU B 30 6.300 -9.611 -1.886 1.00 0.68 C ATOM 1664 CD GLU B 30 4.836 -9.832 -2.219 1.00 1.37 C ATOM 1665 OE1 GLU B 30 3.967 -9.476 -1.394 1.00 2.33 O ATOM 1666 OE2 GLU B 30 4.549 -10.364 -3.309 1.00 1.57 O ATOM 0 H GLU B 30 7.208 -9.408 1.929 1.00 0.35 H new ATOM 0 HA GLU B 30 8.367 -10.508 -0.348 1.00 0.37 H new ATOM 0 HB2 GLU B 30 5.932 -10.081 0.156 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.208 -8.378 -0.155 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.669 -8.753 -2.447 1.00 0.68 H new ATOM 0 HG3 GLU B 30 6.876 -10.477 -2.213 1.00 0.68 H new ATOM 1673 N LEU B 31 8.879 -7.312 0.037 1.00 0.28 N ATOM 1674 CA LEU B 31 9.688 -6.187 -0.368 1.00 0.24 C ATOM 1675 C LEU B 31 11.140 -6.482 -0.066 1.00 0.25 C ATOM 1676 O LEU B 31 12.025 -6.359 -0.910 1.00 0.26 O ATOM 1677 CB LEU B 31 9.290 -4.954 0.415 1.00 0.20 C ATOM 1678 CG LEU B 31 7.897 -4.371 0.167 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.757 -3.812 -1.229 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.816 -5.389 0.438 1.00 0.24 C ATOM 0 H LEU B 31 8.347 -7.150 0.892 1.00 0.28 H new ATOM 0 HA LEU B 31 9.542 -6.016 -1.435 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.370 -5.191 1.476 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.022 -4.174 0.206 1.00 0.20 H new ATOM 0 HG LEU B 31 7.775 -3.546 0.869 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.753 -3.409 -1.361 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.489 -3.018 -1.378 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.928 -4.605 -1.957 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.840 -4.941 0.252 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.952 -6.248 -0.219 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.874 -5.714 1.477 1.00 0.24 H new ATOM 1692 N GLU B 32 11.344 -6.883 1.176 1.00 0.26 N ATOM 1693 CA GLU B 32 12.667 -7.176 1.723 1.00 0.29 C ATOM 1694 C GLU B 32 13.430 -8.188 0.878 1.00 0.33 C ATOM 1695 O GLU B 32 14.655 -8.282 0.968 1.00 0.38 O ATOM 1696 CB GLU B 32 12.562 -7.728 3.141 1.00 0.29 C ATOM 1697 CG GLU B 32 11.586 -6.994 4.048 1.00 0.26 C ATOM 1698 CD GLU B 32 11.675 -7.489 5.481 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.115 -8.561 5.782 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.282 -6.794 6.325 1.00 0.47 O ATOM 0 H GLU B 32 10.588 -7.018 1.847 1.00 0.26 H new ATOM 0 HA GLU B 32 13.209 -6.230 1.722 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.265 -8.775 3.086 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.551 -7.701 3.599 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.794 -5.925 4.018 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.570 -7.131 3.677 1.00 0.26 H new ATOM 1707 N GLN B 33 12.695 -8.949 0.084 1.00 0.35 N ATOM 1708 CA GLN B 33 13.286 -9.952 -0.800 1.00 0.40 C ATOM 1709 C GLN B 33 14.376 -9.338 -1.660 1.00 0.39 C ATOM 1710 O GLN B 33 15.395 -9.968 -1.939 1.00 0.48 O ATOM 1711 CB GLN B 33 12.229 -10.556 -1.716 1.00 0.43 C ATOM 1712 CG GLN B 33 11.035 -11.128 -1.000 1.00 0.47 C ATOM 1713 CD GLN B 33 11.370 -12.322 -0.134 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.401 -13.457 -0.604 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.572 -12.077 1.145 1.00 0.57 N ATOM 0 H GLN B 33 11.678 -8.893 0.031 1.00 0.35 H new ATOM 0 HA GLN B 33 13.713 -10.731 -0.168 1.00 0.40 H new ATOM 0 HB2 GLN B 33 11.887 -9.789 -2.410 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.690 -11.343 -2.313 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.587 -10.352 -0.379 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.285 -11.420 -1.735 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.537 -11.119 1.492 1.00 0.57 H new ATOM 0 HE22 GLN B 33 11.763 -12.846 1.788 1.00 0.57 H new ATOM 1724 N TYR B 34 14.145 -8.106 -2.085 1.00 0.32 N ATOM 1725 CA TYR B 34 15.066 -7.433 -2.982 1.00 0.32 C ATOM 1726 C TYR B 34 15.431 -6.019 -2.522 1.00 0.30 C ATOM 1727 O TYR B 34 16.478 -5.502 -2.911 1.00 0.37 O ATOM 1728 CB TYR B 34 14.472 -7.386 -4.387 1.00 0.32 C ATOM 1729 CG TYR B 34 12.960 -7.419 -4.412 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.213 -6.417 -3.811 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.281 -8.453 -5.041 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.846 -6.439 -3.831 1.00 0.26 C ATOM 1733 CE2 TYR B 34 10.903 -8.485 -5.067 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.188 -7.474 -4.462 1.00 0.34 C ATOM 1735 OH TYR B 34 8.817 -7.504 -4.485 1.00 0.40 O ATOM 0 H TYR B 34 13.328 -7.554 -1.823 1.00 0.32 H new ATOM 0 HA TYR B 34 15.991 -8.010 -2.980 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.815 -6.480 -4.886 1.00 0.32 H new ATOM 0 HB3 TYR B 34 14.854 -8.230 -4.961 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.722 -5.602 -3.317 1.00 0.26 H new ATOM 0 HD2 TYR B 34 12.840 -9.245 -5.517 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.284 -5.649 -3.355 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.387 -9.297 -5.558 1.00 0.42 H new ATOM 0 HH TYR B 34 8.465 -6.706 -4.038 1.00 0.40 H new ATOM 1745 N PHE B 35 14.594 -5.376 -1.714 1.00 0.27 N ATOM 1746 CA PHE B 35 14.882 -4.003 -1.322 1.00 0.26 C ATOM 1747 C PHE B 35 14.302 -3.642 0.037 1.00 0.25 C ATOM 1748 O PHE B 35 13.268 -4.164 0.435 1.00 0.25 O ATOM 1749 CB PHE B 35 14.387 -3.011 -2.391 1.00 0.25 C ATOM 1750 CG PHE B 35 12.923 -3.073 -2.737 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.947 -2.938 -1.768 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.527 -3.243 -4.052 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.616 -2.977 -2.092 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.187 -3.288 -4.388 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.229 -3.154 -3.405 1.00 0.18 C ATOM 0 H PHE B 35 13.736 -5.770 -1.328 1.00 0.27 H new ATOM 0 HA PHE B 35 15.966 -3.929 -1.238 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.615 -2.001 -2.051 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.961 -3.177 -3.303 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.238 -2.799 -0.737 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.274 -3.342 -4.825 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.869 -2.869 -1.319 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.891 -3.428 -5.417 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.180 -3.187 -3.662 1.00 0.18 H new ATOM 1765 N THR B 36 14.997 -2.743 0.733 1.00 0.27 N ATOM 1766 CA THR B 36 14.533 -2.147 1.985 1.00 0.27 C ATOM 1767 C THR B 36 15.382 -0.924 2.319 1.00 0.32 C ATOM 1768 O THR B 36 16.111 -0.420 1.467 1.00 0.45 O ATOM 1769 CB THR B 36 14.580 -3.131 3.170 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.721 -3.990 3.051 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.301 -3.942 3.242 1.00 0.27 C ATOM 0 H THR B 36 15.912 -2.403 0.438 1.00 0.27 H new ATOM 0 HA THR B 36 13.491 -1.865 1.833 1.00 0.27 H new ATOM 0 HB THR B 36 14.670 -2.561 4.095 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.744 -4.611 3.809 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.354 -4.631 4.085 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.452 -3.271 3.374 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.176 -4.508 2.319 1.00 0.27 H new ATOM 1779 N ALA B 37 15.278 -0.456 3.550 1.00 0.32 N ATOM 1780 CA ALA B 37 16.060 0.680 4.014 1.00 0.35 C ATOM 1781 C ALA B 37 16.989 0.234 5.128 1.00 0.43 C ATOM 1782 O ALA B 37 17.257 -0.958 5.275 1.00 0.53 O ATOM 1783 CB ALA B 37 15.143 1.792 4.507 1.00 0.29 C ATOM 0 H ALA B 37 14.653 -0.849 4.254 1.00 0.32 H new ATOM 0 HA ALA B 37 16.652 1.067 3.185 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.744 2.634 4.850 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.495 2.117 3.693 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.533 1.422 5.331 1.00 0.29 H new ATOM 1789 N ARG B 38 17.474 1.192 5.906 1.00 0.44 N ATOM 1790 CA ARG B 38 18.325 0.894 7.045 1.00 0.52 C ATOM 1791 C ARG B 38 17.643 -0.083 8.008 1.00 0.56 C ATOM 1792 O ARG B 38 18.249 -1.069 8.422 1.00 0.67 O ATOM 1793 CB ARG B 38 18.728 2.183 7.779 1.00 0.57 C ATOM 1794 CG ARG B 38 17.616 2.833 8.587 1.00 0.67 C ATOM 1795 CD ARG B 38 16.851 3.856 7.785 1.00 0.93 C ATOM 1796 NE ARG B 38 17.632 5.063 7.528 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.840 6.029 8.429 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.418 5.880 9.683 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.481 7.134 8.077 1.00 2.94 N ATOM 0 H ARG B 38 17.290 2.186 5.766 1.00 0.44 H new ATOM 0 HA ARG B 38 19.229 0.417 6.666 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.560 1.959 8.447 1.00 0.57 H new ATOM 0 HB3 ARG B 38 19.093 2.902 7.046 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.929 2.064 8.941 1.00 0.67 H new ATOM 0 HG3 ARG B 38 18.042 3.310 9.469 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.547 3.415 6.836 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.939 4.124 8.319 1.00 0.93 H new ATOM 0 HE ARG B 38 18.045 5.176 6.602 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.934 5.026 9.960 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.579 6.620 10.367 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.815 7.247 7.120 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.640 7.872 8.763 1.00 2.94 H new ATOM 1813 N TRP B 39 16.373 0.191 8.322 1.00 0.54 N ATOM 1814 CA TRP B 39 15.573 -0.634 9.229 1.00 0.64 C ATOM 1815 C TRP B 39 16.311 -0.949 10.529 1.00 0.85 C ATOM 1816 O TRP B 39 16.343 -0.071 11.418 1.00 1.41 O ATOM 1817 CB TRP B 39 15.130 -1.918 8.522 1.00 0.60 C ATOM 1818 CG TRP B 39 14.118 -1.655 7.463 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.149 -0.657 6.552 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.930 -2.395 7.214 1.00 0.35 C ATOM 1821 NE1 TRP B 39 13.040 -0.718 5.744 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.277 -1.787 6.130 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.351 -3.512 7.807 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.075 -2.269 5.625 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.163 -3.983 7.301 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.535 -3.364 6.224 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.840 -2.072 10.672 1.00 1.45 O ATOM 0 H TRP B 39 15.869 0.997 7.951 1.00 0.54 H new ATOM 0 HA TRP B 39 14.689 -0.059 9.504 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.999 -2.405 8.079 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.715 -2.610 9.255 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.933 0.082 6.471 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.821 -0.074 4.983 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.825 -3.999 8.647 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.588 -1.791 4.788 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.706 -4.853 7.749 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.600 -3.761 5.857 1.00 0.25 H new