USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 37 ASN : amide:sc= 0.605 K(o=1.8,f=-1.7) USER MOD Set 1.2: A 38 THR OG1 : rot 80:sc= 1.16 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 151:sc= 0.803 (180deg=-0.0452) USER MOD Set 2.2: A 23 ASN : amide:sc= -1.05 K(o=-0.25,f=-5.2) USER MOD Set 3.1: A 15 ASN : amide:sc= -1.04! C(o=-0.083!,f=-0.73!) USER MOD Set 3.2: A 17 THR OG1 : rot -123:sc= 0.957 USER MOD Set 4.1: A 9 THR OG1 : rot 160:sc= 0.051 USER MOD Set 4.2: A 49 SER OG : rot 170:sc= 0.0234 USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.163 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.38) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.862 K(o=-0.86,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= 1.14 (180deg=0.526) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 29 ASN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.037) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 36:sc= 0.0673 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 166:sc= -0.827 (180deg=-1.92) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0537 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 63 THR OG1 : rot 176:sc= 0.383 USER MOD Single : A 64 GLN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.736 K(o=0.74,f=-4.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.49) USER MOD Single : A 94 GLN : amide:sc= 0.125 X(o=0.12,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.127 X(o=0.13,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -1.316 17.737 -0.213 1.00 51.32 N ATOM 83 CA THR A 8 -1.286 16.508 -0.977 1.00 23.11 C ATOM 84 C THR A 8 -1.158 15.309 -0.033 1.00 75.20 C ATOM 85 O THR A 8 -0.949 15.479 1.174 1.00 73.11 O ATOM 86 CB THR A 8 -0.142 16.593 -1.996 1.00 52.40 C ATOM 87 OG1 THR A 8 1.091 16.912 -1.384 1.00 13.31 O ATOM 88 CG2 THR A 8 -0.403 17.640 -3.079 1.00 42.53 C ATOM 0 HA THR A 8 -2.215 16.368 -1.529 1.00 23.11 H new ATOM 0 HB THR A 8 -0.091 15.602 -2.447 1.00 52.40 H new ATOM 0 HG1 THR A 8 0.934 17.515 -0.628 1.00 13.31 H new ATOM 0 HG21 THR A 8 0.436 17.661 -3.775 1.00 42.53 H new ATOM 0 HG22 THR A 8 -1.316 17.386 -3.618 1.00 42.53 H new ATOM 0 HG23 THR A 8 -0.516 18.621 -2.617 1.00 42.53 H new ATOM 96 N THR A 9 -1.283 14.094 -0.565 1.00 42.14 N ATOM 97 CA THR A 9 -1.315 12.869 0.220 1.00 52.22 C ATOM 98 C THR A 9 0.026 12.150 0.212 1.00 35.34 C ATOM 99 O THR A 9 0.890 12.449 -0.625 1.00 51.10 O ATOM 100 CB THR A 9 -2.467 11.984 -0.291 1.00 72.13 C ATOM 101 OG1 THR A 9 -2.712 12.145 -1.679 1.00 61.22 O ATOM 102 CG2 THR A 9 -3.710 12.419 0.465 1.00 42.30 C ATOM 0 H THR A 9 -1.366 13.935 -1.569 1.00 42.14 H new ATOM 0 HA THR A 9 -1.500 13.114 1.266 1.00 52.22 H new ATOM 0 HB THR A 9 -2.206 10.938 -0.131 1.00 72.13 H new ATOM 0 HG1 THR A 9 -3.203 11.367 -2.017 1.00 61.22 H new ATOM 0 HG21 THR A 9 -4.561 11.821 0.140 1.00 42.30 H new ATOM 0 HG22 THR A 9 -3.554 12.277 1.534 1.00 42.30 H new ATOM 0 HG23 THR A 9 -3.908 13.472 0.264 1.00 42.30 H new ATOM 110 N THR A 10 0.198 11.203 1.142 1.00 61.02 N ATOM 111 CA THR A 10 1.395 10.381 1.253 1.00 0.13 C ATOM 112 C THR A 10 1.003 8.901 1.303 1.00 24.25 C ATOM 113 O THR A 10 0.055 8.562 2.014 1.00 71.10 O ATOM 114 CB THR A 10 2.226 10.765 2.507 1.00 71.03 C ATOM 115 OG1 THR A 10 2.077 12.132 2.883 1.00 15.51 O ATOM 116 CG2 THR A 10 3.719 10.476 2.290 1.00 24.21 C ATOM 0 H THR A 10 -0.506 10.988 1.848 1.00 61.02 H new ATOM 0 HA THR A 10 2.018 10.558 0.376 1.00 0.13 H new ATOM 0 HB THR A 10 1.834 10.148 3.315 1.00 71.03 H new ATOM 0 HG1 THR A 10 2.621 12.314 3.678 1.00 15.51 H new ATOM 0 HG21 THR A 10 4.277 10.754 3.184 1.00 24.21 H new ATOM 0 HG22 THR A 10 3.859 9.413 2.091 1.00 24.21 H new ATOM 0 HG23 THR A 10 4.082 11.055 1.441 1.00 24.21 H new ATOM 124 N ILE A 11 1.694 8.016 0.575 1.00 15.35 N ATOM 125 CA ILE A 11 1.332 6.604 0.443 1.00 33.15 C ATOM 126 C ILE A 11 2.607 5.778 0.631 1.00 71.14 C ATOM 127 O ILE A 11 3.554 5.920 -0.143 1.00 42.24 O ATOM 128 CB ILE A 11 0.640 6.348 -0.916 1.00 41.13 C ATOM 129 CG1 ILE A 11 -0.727 7.072 -1.021 1.00 31.23 C ATOM 130 CG2 ILE A 11 0.441 4.841 -1.153 1.00 40.21 C ATOM 131 CD1 ILE A 11 -1.169 7.375 -2.452 1.00 4.55 C ATOM 0 H ILE A 11 2.534 8.267 0.053 1.00 15.35 H new ATOM 0 HA ILE A 11 0.609 6.308 1.203 1.00 33.15 H new ATOM 0 HB ILE A 11 1.299 6.754 -1.684 1.00 41.13 H new ATOM 0 HG12 ILE A 11 -1.488 6.458 -0.540 1.00 31.23 H new ATOM 0 HG13 ILE A 11 -0.673 8.007 -0.464 1.00 31.23 H new ATOM 0 HG21 ILE A 11 -0.047 4.685 -2.115 1.00 40.21 H new ATOM 0 HG22 ILE A 11 1.410 4.342 -1.153 1.00 40.21 H new ATOM 0 HG23 ILE A 11 -0.181 4.427 -0.359 1.00 40.21 H new ATOM 0 HD11 ILE A 11 -2.134 7.882 -2.435 1.00 4.55 H new ATOM 0 HD12 ILE A 11 -0.431 8.017 -2.933 1.00 4.55 H new ATOM 0 HD13 ILE A 11 -1.258 6.443 -3.010 1.00 4.55 H new ATOM 142 N ARG A 12 2.628 4.903 1.645 1.00 35.04 N ATOM 143 CA ARG A 12 3.804 4.107 2.001 1.00 35.32 C ATOM 144 C ARG A 12 3.470 2.637 2.075 1.00 32.21 C ATOM 145 O ARG A 12 2.502 2.240 2.715 1.00 71.41 O ATOM 146 CB ARG A 12 4.394 4.573 3.335 1.00 13.54 C ATOM 147 CG ARG A 12 5.690 3.831 3.728 1.00 72.00 C ATOM 148 CD ARG A 12 5.694 3.396 5.184 1.00 62.44 C ATOM 149 NE ARG A 12 6.427 4.322 6.070 1.00 64.04 N ATOM 150 CZ ARG A 12 6.096 5.572 6.435 1.00 63.02 C ATOM 151 NH1 ARG A 12 5.013 6.171 5.958 1.00 63.44 N ATOM 152 NH2 ARG A 12 6.838 6.245 7.306 1.00 11.12 N ATOM 0 H ARG A 12 1.821 4.728 2.244 1.00 35.04 H new ATOM 0 HA ARG A 12 4.546 4.253 1.216 1.00 35.32 H new ATOM 0 HB2 ARG A 12 4.600 5.642 3.279 1.00 13.54 H new ATOM 0 HB3 ARG A 12 3.652 4.432 4.121 1.00 13.54 H new ATOM 0 HG2 ARG A 12 5.811 2.955 3.090 1.00 72.00 H new ATOM 0 HG3 ARG A 12 6.546 4.480 3.544 1.00 72.00 H new ATOM 0 HD2 ARG A 12 4.665 3.309 5.533 1.00 62.44 H new ATOM 0 HD3 ARG A 12 6.140 2.404 5.258 1.00 62.44 H new ATOM 0 HE ARG A 12 7.301 3.965 6.456 1.00 64.04 H new ATOM 0 HH11 ARG A 12 4.409 5.682 5.298 1.00 63.44 H new ATOM 0 HH12 ARG A 12 4.784 7.121 6.252 1.00 63.44 H new ATOM 0 HH21 ARG A 12 7.671 5.814 7.707 1.00 11.12 H new ATOM 0 HH22 ARG A 12 6.575 7.193 7.574 1.00 11.12 H new ATOM 163 N LEU A 13 4.302 1.818 1.458 1.00 34.43 N ATOM 164 CA LEU A 13 4.112 0.384 1.390 1.00 2.22 C ATOM 165 C LEU A 13 5.121 -0.303 2.304 1.00 73.13 C ATOM 166 O LEU A 13 6.267 0.135 2.364 1.00 43.20 O ATOM 167 CB LEU A 13 4.252 -0.040 -0.087 1.00 40.50 C ATOM 168 CG LEU A 13 3.129 0.390 -1.076 1.00 64.22 C ATOM 169 CD1 LEU A 13 2.220 -0.788 -1.401 1.00 60.02 C ATOM 170 CD2 LEU A 13 2.211 1.549 -0.663 1.00 34.34 C ATOM 0 H LEU A 13 5.145 2.139 0.981 1.00 34.43 H new ATOM 0 HA LEU A 13 3.123 0.087 1.738 1.00 2.22 H new ATOM 0 HB2 LEU A 13 5.197 0.355 -0.461 1.00 40.50 H new ATOM 0 HB3 LEU A 13 4.327 -1.127 -0.118 1.00 40.50 H new ATOM 0 HG LEU A 13 3.710 0.752 -1.924 1.00 64.22 H new ATOM 0 HD11 LEU A 13 1.442 -0.467 -2.093 1.00 60.02 H new ATOM 0 HD12 LEU A 13 2.807 -1.585 -1.858 1.00 60.02 H new ATOM 0 HD13 LEU A 13 1.760 -1.157 -0.484 1.00 60.02 H new ATOM 0 HD21 LEU A 13 1.481 1.733 -1.451 1.00 34.34 H new ATOM 0 HD22 LEU A 13 1.692 1.291 0.260 1.00 34.34 H new ATOM 0 HD23 LEU A 13 2.808 2.447 -0.504 1.00 34.34 H new ATOM 181 N ILE A 14 4.700 -1.345 3.035 1.00 53.34 N ATOM 182 CA ILE A 14 5.513 -2.128 3.954 1.00 55.21 C ATOM 183 C ILE A 14 5.232 -3.612 3.680 1.00 72.11 C ATOM 184 O ILE A 14 4.119 -4.103 3.877 1.00 34.33 O ATOM 185 CB ILE A 14 5.208 -1.784 5.428 1.00 23.15 C ATOM 186 CG1 ILE A 14 5.158 -0.285 5.796 1.00 52.10 C ATOM 187 CG2 ILE A 14 6.307 -2.406 6.307 1.00 62.30 C ATOM 188 CD1 ILE A 14 3.893 0.489 5.415 1.00 53.14 C ATOM 0 H ILE A 14 3.735 -1.674 2.994 1.00 53.34 H new ATOM 0 HA ILE A 14 6.566 -1.897 3.792 1.00 55.21 H new ATOM 0 HB ILE A 14 4.205 -2.176 5.594 1.00 23.15 H new ATOM 0 HG12 ILE A 14 5.295 -0.197 6.874 1.00 52.10 H new ATOM 0 HG13 ILE A 14 6.009 0.207 5.325 1.00 52.10 H new ATOM 0 HG21 ILE A 14 6.110 -2.174 7.354 1.00 62.30 H new ATOM 0 HG22 ILE A 14 6.314 -3.487 6.170 1.00 62.30 H new ATOM 0 HG23 ILE A 14 7.276 -1.997 6.021 1.00 62.30 H new ATOM 0 HD11 ILE A 14 3.992 1.527 5.732 1.00 53.14 H new ATOM 0 HD12 ILE A 14 3.755 0.451 4.334 1.00 53.14 H new ATOM 0 HD13 ILE A 14 3.030 0.041 5.907 1.00 53.14 H new ATOM 199 N ASN A 15 6.242 -4.351 3.228 1.00 41.52 N ATOM 200 CA ASN A 15 6.144 -5.773 2.897 1.00 12.42 C ATOM 201 C ASN A 15 6.485 -6.653 4.114 1.00 71.40 C ATOM 202 O ASN A 15 7.532 -7.291 4.121 1.00 55.22 O ATOM 203 CB ASN A 15 7.040 -6.086 1.680 1.00 63.42 C ATOM 204 CG ASN A 15 6.872 -7.502 1.175 1.00 75.40 C ATOM 205 OD1 ASN A 15 5.808 -8.103 1.292 1.00 71.50 O ATOM 206 ND2 ASN A 15 7.923 -8.020 0.586 1.00 1.11 N ATOM 0 H ASN A 15 7.176 -3.969 3.077 1.00 41.52 H new ATOM 0 HA ASN A 15 5.114 -6.007 2.627 1.00 12.42 H new ATOM 0 HB2 ASN A 15 6.808 -5.389 0.875 1.00 63.42 H new ATOM 0 HB3 ASN A 15 8.083 -5.924 1.952 1.00 63.42 H new ATOM 0 HD21 ASN A 15 7.878 -8.963 0.200 1.00 1.11 H new ATOM 0 HD22 ASN A 15 8.785 -7.480 0.514 1.00 1.11 H new ATOM 212 N GLN A 16 5.650 -6.680 5.163 1.00 34.45 N ATOM 213 CA GLN A 16 5.934 -7.306 6.469 1.00 14.11 C ATOM 214 C GLN A 16 5.777 -8.842 6.411 1.00 73.24 C ATOM 215 O GLN A 16 5.020 -9.450 7.172 1.00 3.23 O ATOM 216 CB GLN A 16 5.069 -6.689 7.597 1.00 42.21 C ATOM 217 CG GLN A 16 5.122 -5.158 7.657 1.00 2.51 C ATOM 218 CD GLN A 16 4.234 -4.577 8.748 1.00 40.30 C ATOM 219 OE1 GLN A 16 3.019 -4.713 8.699 1.00 64.22 O ATOM 220 NE2 GLN A 16 4.789 -3.848 9.702 1.00 32.22 N ATOM 0 H GLN A 16 4.725 -6.252 5.127 1.00 34.45 H new ATOM 0 HA GLN A 16 6.977 -7.096 6.707 1.00 14.11 H new ATOM 0 HB2 GLN A 16 4.034 -7.001 7.459 1.00 42.21 H new ATOM 0 HB3 GLN A 16 5.398 -7.092 8.555 1.00 42.21 H new ATOM 0 HG2 GLN A 16 6.151 -4.841 7.826 1.00 2.51 H new ATOM 0 HG3 GLN A 16 4.818 -4.751 6.693 1.00 2.51 H new ATOM 0 HE21 GLN A 16 5.803 -3.739 9.736 1.00 32.22 H new ATOM 0 HE22 GLN A 16 4.203 -3.395 10.403 1.00 32.22 H new ATOM 227 N THR A 17 6.496 -9.492 5.498 1.00 75.44 N ATOM 228 CA THR A 17 6.310 -10.891 5.132 1.00 54.03 C ATOM 229 C THR A 17 7.644 -11.652 5.122 1.00 34.31 C ATOM 230 O THR A 17 8.738 -11.070 5.200 1.00 62.42 O ATOM 231 CB THR A 17 5.640 -10.933 3.748 1.00 23.53 C ATOM 232 OG1 THR A 17 6.480 -10.270 2.828 1.00 24.45 O ATOM 233 CG2 THR A 17 4.248 -10.296 3.756 1.00 52.40 C ATOM 0 H THR A 17 7.249 -9.043 4.976 1.00 75.44 H new ATOM 0 HA THR A 17 5.678 -11.383 5.871 1.00 54.03 H new ATOM 0 HB THR A 17 5.501 -11.975 3.459 1.00 23.53 H new ATOM 0 HG1 THR A 17 5.986 -9.539 2.401 1.00 24.45 H new ATOM 0 HG21 THR A 17 3.817 -10.351 2.756 1.00 52.40 H new ATOM 0 HG22 THR A 17 3.607 -10.831 4.457 1.00 52.40 H new ATOM 0 HG23 THR A 17 4.327 -9.252 4.060 1.00 52.40 H new ATOM 241 N TYR A 18 7.550 -12.977 4.986 1.00 0.02 N ATOM 242 CA TYR A 18 8.713 -13.850 4.862 1.00 14.45 C ATOM 243 C TYR A 18 9.387 -13.805 3.489 1.00 3.23 C ATOM 244 O TYR A 18 10.527 -14.270 3.377 1.00 51.01 O ATOM 245 CB TYR A 18 8.374 -15.288 5.280 1.00 35.44 C ATOM 246 CG TYR A 18 7.719 -16.212 4.264 1.00 72.14 C ATOM 247 CD1 TYR A 18 6.554 -15.831 3.569 1.00 0.23 C ATOM 248 CD2 TYR A 18 8.223 -17.516 4.100 1.00 12.41 C ATOM 249 CE1 TYR A 18 5.848 -16.774 2.801 1.00 23.24 C ATOM 250 CE2 TYR A 18 7.544 -18.453 3.302 1.00 34.52 C ATOM 251 CZ TYR A 18 6.340 -18.090 2.660 1.00 74.13 C ATOM 252 OH TYR A 18 5.673 -19.007 1.903 1.00 73.22 O ATOM 0 H TYR A 18 6.660 -13.474 4.959 1.00 0.02 H new ATOM 0 HA TYR A 18 9.454 -13.453 5.556 1.00 14.45 H new ATOM 0 HB2 TYR A 18 9.298 -15.762 5.610 1.00 35.44 H new ATOM 0 HB3 TYR A 18 7.717 -15.233 6.148 1.00 35.44 H new ATOM 0 HD1 TYR A 18 6.202 -14.812 3.626 1.00 0.23 H new ATOM 0 HD2 TYR A 18 9.141 -17.800 4.593 1.00 12.41 H new ATOM 0 HE1 TYR A 18 4.925 -16.490 2.317 1.00 23.24 H new ATOM 0 HE2 TYR A 18 7.943 -19.449 3.180 1.00 34.52 H new ATOM 0 HH TYR A 18 6.158 -19.859 1.919 1.00 73.22 H new ATOM 261 N PHE A 19 8.733 -13.270 2.453 1.00 51.42 N ATOM 262 CA PHE A 19 9.179 -13.380 1.067 1.00 51.21 C ATOM 263 C PHE A 19 9.703 -12.034 0.533 1.00 43.04 C ATOM 264 O PHE A 19 9.454 -10.991 1.122 1.00 13.43 O ATOM 265 CB PHE A 19 8.053 -13.964 0.192 1.00 40.30 C ATOM 266 CG PHE A 19 6.715 -13.260 0.281 1.00 42.24 C ATOM 267 CD1 PHE A 19 6.618 -11.905 -0.064 1.00 22.52 C ATOM 268 CD2 PHE A 19 5.566 -13.943 0.720 1.00 52.10 C ATOM 269 CE1 PHE A 19 5.419 -11.212 0.124 1.00 31.35 C ATOM 270 CE2 PHE A 19 4.375 -13.244 0.938 1.00 1.32 C ATOM 271 CZ PHE A 19 4.302 -11.875 0.646 1.00 33.55 C ATOM 0 H PHE A 19 7.867 -12.742 2.559 1.00 51.42 H new ATOM 0 HA PHE A 19 10.021 -14.070 1.025 1.00 51.21 H new ATOM 0 HB2 PHE A 19 8.382 -13.949 -0.847 1.00 40.30 H new ATOM 0 HB3 PHE A 19 7.911 -15.009 0.466 1.00 40.30 H new ATOM 0 HD1 PHE A 19 7.475 -11.394 -0.477 1.00 22.52 H new ATOM 0 HD2 PHE A 19 5.604 -15.009 0.889 1.00 52.10 H new ATOM 0 HE1 PHE A 19 5.354 -10.165 -0.133 1.00 31.35 H new ATOM 0 HE2 PHE A 19 3.511 -13.759 1.331 1.00 1.32 H new ATOM 0 HZ PHE A 19 3.385 -11.332 0.823 1.00 33.55 H new ATOM 280 N ASN A 20 10.355 -12.032 -0.634 1.00 21.44 N ATOM 281 CA ASN A 20 10.674 -10.816 -1.401 1.00 4.35 C ATOM 282 C ASN A 20 9.574 -10.571 -2.431 1.00 1.35 C ATOM 283 O ASN A 20 8.864 -11.497 -2.813 1.00 32.53 O ATOM 284 CB ASN A 20 12.029 -10.955 -2.126 1.00 31.42 C ATOM 285 CG ASN A 20 12.360 -9.771 -3.041 1.00 60.22 C ATOM 286 OD1 ASN A 20 12.352 -8.628 -2.621 1.00 11.25 O ATOM 287 ND2 ASN A 20 12.682 -9.995 -4.298 1.00 11.22 N ATOM 0 H ASN A 20 10.683 -12.887 -1.082 1.00 21.44 H new ATOM 0 HA ASN A 20 10.740 -9.977 -0.708 1.00 4.35 H new ATOM 0 HB2 ASN A 20 12.820 -11.061 -1.383 1.00 31.42 H new ATOM 0 HB3 ASN A 20 12.023 -11.870 -2.718 1.00 31.42 H new ATOM 0 HD21 ASN A 20 12.922 -9.215 -4.910 1.00 11.22 H new ATOM 0 HD22 ASN A 20 12.692 -10.949 -4.660 1.00 11.22 H new ATOM 293 N VAL A 21 9.433 -9.344 -2.900 1.00 62.53 N ATOM 294 CA VAL A 21 8.534 -8.829 -3.889 1.00 1.42 C ATOM 295 C VAL A 21 9.310 -7.815 -4.719 1.00 74.34 C ATOM 296 O VAL A 21 10.192 -7.114 -4.265 1.00 15.23 O ATOM 297 CB VAL A 21 7.418 -8.201 -3.075 1.00 62.51 C ATOM 298 CG1 VAL A 21 6.305 -7.530 -3.754 1.00 75.24 C ATOM 299 CG2 VAL A 21 6.786 -9.123 -2.035 1.00 1.15 C ATOM 0 H VAL A 21 10.029 -8.598 -2.542 1.00 62.53 H new ATOM 0 HA VAL A 21 8.125 -9.563 -4.584 1.00 1.42 H new ATOM 0 HB VAL A 21 8.030 -7.417 -2.629 1.00 62.51 H new ATOM 0 HG11 VAL A 21 5.606 -7.144 -3.012 1.00 75.24 H new ATOM 0 HG12 VAL A 21 6.689 -6.706 -4.355 1.00 75.24 H new ATOM 0 HG13 VAL A 21 5.791 -8.241 -4.401 1.00 75.24 H new ATOM 0 HG21 VAL A 21 6.000 -8.587 -1.504 1.00 1.15 H new ATOM 0 HG22 VAL A 21 6.359 -9.994 -2.532 1.00 1.15 H new ATOM 0 HG23 VAL A 21 7.547 -9.447 -1.325 1.00 1.15 H new ATOM 309 N LYS A 22 8.964 -7.767 -5.986 1.00 13.11 N ATOM 310 CA LYS A 22 9.764 -7.140 -7.065 1.00 45.04 C ATOM 311 C LYS A 22 8.945 -6.534 -8.191 1.00 11.24 C ATOM 312 O LYS A 22 9.343 -6.581 -9.351 1.00 61.44 O ATOM 313 CB LYS A 22 10.847 -8.106 -7.576 1.00 45.10 C ATOM 314 CG LYS A 22 10.300 -9.437 -8.128 1.00 32.13 C ATOM 315 CD LYS A 22 10.200 -10.533 -7.054 1.00 25.22 C ATOM 316 CE LYS A 22 8.846 -11.238 -6.970 1.00 24.13 C ATOM 317 NZ LYS A 22 8.370 -11.793 -8.251 1.00 62.44 N ATOM 0 H LYS A 22 8.092 -8.172 -6.326 1.00 13.11 H new ATOM 0 HA LYS A 22 10.258 -6.282 -6.610 1.00 45.04 H new ATOM 0 HB2 LYS A 22 11.420 -7.609 -8.359 1.00 45.10 H new ATOM 0 HB3 LYS A 22 11.539 -8.321 -6.762 1.00 45.10 H new ATOM 0 HG2 LYS A 22 9.314 -9.268 -8.560 1.00 32.13 H new ATOM 0 HG3 LYS A 22 10.946 -9.783 -8.935 1.00 32.13 H new ATOM 0 HD2 LYS A 22 10.970 -11.280 -7.247 1.00 25.22 H new ATOM 0 HD3 LYS A 22 10.422 -10.090 -6.083 1.00 25.22 H new ATOM 0 HE2 LYS A 22 8.915 -12.045 -6.241 1.00 24.13 H new ATOM 0 HE3 LYS A 22 8.105 -10.532 -6.595 1.00 24.13 H new ATOM 0 HZ1 LYS A 22 7.769 -12.622 -8.068 1.00 62.44 H new ATOM 0 HZ2 LYS A 22 7.819 -11.072 -8.759 1.00 62.44 H new ATOM 0 HZ3 LYS A 22 9.185 -12.077 -8.831 1.00 62.44 H new ATOM 327 N ASN A 23 7.739 -6.079 -7.855 1.00 64.21 N ATOM 328 CA ASN A 23 6.684 -5.853 -8.832 1.00 14.25 C ATOM 329 C ASN A 23 5.419 -5.385 -8.115 1.00 63.24 C ATOM 330 O ASN A 23 4.405 -6.083 -8.125 1.00 22.44 O ATOM 331 CB ASN A 23 6.400 -7.148 -9.651 1.00 12.01 C ATOM 332 CG ASN A 23 6.404 -8.442 -8.843 1.00 43.42 C ATOM 333 OD1 ASN A 23 6.823 -9.498 -9.313 1.00 30.32 O ATOM 334 ND2 ASN A 23 6.008 -8.397 -7.583 1.00 40.00 N ATOM 0 H ASN A 23 7.469 -5.858 -6.897 1.00 64.21 H new ATOM 0 HA ASN A 23 7.008 -5.081 -9.530 1.00 14.25 H new ATOM 0 HB2 ASN A 23 5.430 -7.045 -10.138 1.00 12.01 H new ATOM 0 HB3 ASN A 23 7.146 -7.230 -10.441 1.00 12.01 H new ATOM 0 HD21 ASN A 23 6.051 -9.236 -7.005 1.00 40.00 H new ATOM 0 HD22 ASN A 23 5.660 -7.523 -7.189 1.00 40.00 H new ATOM 340 N ILE A 24 5.464 -4.265 -7.409 1.00 43.11 N ATOM 341 CA ILE A 24 4.325 -3.777 -6.634 1.00 55.41 C ATOM 342 C ILE A 24 3.629 -2.695 -7.446 1.00 74.12 C ATOM 343 O ILE A 24 4.290 -1.729 -7.818 1.00 20.52 O ATOM 344 CB ILE A 24 4.838 -3.190 -5.308 1.00 43.13 C ATOM 345 CG1 ILE A 24 5.755 -4.183 -4.561 1.00 20.25 C ATOM 346 CG2 ILE A 24 3.664 -2.781 -4.414 1.00 2.02 C ATOM 347 CD1 ILE A 24 7.260 -4.016 -4.826 1.00 43.42 C ATOM 0 H ILE A 24 6.289 -3.667 -7.355 1.00 43.11 H new ATOM 0 HA ILE A 24 3.627 -4.586 -6.419 1.00 55.41 H new ATOM 0 HB ILE A 24 5.429 -2.306 -5.548 1.00 43.13 H new ATOM 0 HG12 ILE A 24 5.578 -4.080 -3.490 1.00 20.25 H new ATOM 0 HG13 ILE A 24 5.465 -5.197 -4.836 1.00 20.25 H new ATOM 0 HG21 ILE A 24 4.045 -2.368 -3.480 1.00 2.02 H new ATOM 0 HG22 ILE A 24 3.062 -2.029 -4.925 1.00 2.02 H new ATOM 0 HG23 ILE A 24 3.048 -3.655 -4.200 1.00 2.02 H new ATOM 0 HD11 ILE A 24 7.815 -4.760 -4.255 1.00 43.42 H new ATOM 0 HD12 ILE A 24 7.460 -4.152 -5.889 1.00 43.42 H new ATOM 0 HD13 ILE A 24 7.574 -3.017 -4.522 1.00 43.42 H new ATOM 358 N LYS A 25 2.319 -2.812 -7.661 1.00 4.21 N ATOM 359 CA LYS A 25 1.447 -1.695 -8.036 1.00 53.22 C ATOM 360 C LYS A 25 0.756 -1.166 -6.782 1.00 44.33 C ATOM 361 O LYS A 25 0.455 -1.924 -5.855 1.00 55.02 O ATOM 362 CB LYS A 25 0.391 -2.134 -9.083 1.00 54.23 C ATOM 363 CG LYS A 25 0.521 -1.394 -10.421 1.00 3.31 C ATOM 364 CD LYS A 25 -0.636 -1.558 -11.409 1.00 33.35 C ATOM 365 CE LYS A 25 -1.909 -0.817 -10.967 1.00 2.15 C ATOM 366 NZ LYS A 25 -2.875 -0.647 -12.076 1.00 14.32 N ATOM 0 H LYS A 25 1.824 -3.700 -7.579 1.00 4.21 H new ATOM 0 HA LYS A 25 2.053 -0.910 -8.488 1.00 53.22 H new ATOM 0 HB2 LYS A 25 0.486 -3.206 -9.257 1.00 54.23 H new ATOM 0 HB3 LYS A 25 -0.606 -1.964 -8.677 1.00 54.23 H new ATOM 0 HG2 LYS A 25 0.643 -0.331 -10.212 1.00 3.31 H new ATOM 0 HG3 LYS A 25 1.436 -1.730 -10.909 1.00 3.31 H new ATOM 0 HD2 LYS A 25 -0.327 -1.188 -12.387 1.00 33.35 H new ATOM 0 HD3 LYS A 25 -0.861 -2.618 -11.525 1.00 33.35 H new ATOM 0 HE2 LYS A 25 -2.384 -1.368 -10.156 1.00 2.15 H new ATOM 0 HE3 LYS A 25 -1.638 0.162 -10.571 1.00 2.15 H new ATOM 0 HZ1 LYS A 25 -3.842 -0.633 -11.695 1.00 14.32 H new ATOM 0 HZ2 LYS A 25 -2.684 0.249 -12.569 1.00 14.32 H new ATOM 0 HZ3 LYS A 25 -2.778 -1.437 -12.745 1.00 14.32 H new ATOM 376 N VAL A 26 0.426 0.121 -6.782 1.00 61.11 N ATOM 377 CA VAL A 26 -0.615 0.651 -5.920 1.00 15.11 C ATOM 378 C VAL A 26 -1.389 1.675 -6.738 1.00 42.04 C ATOM 379 O VAL A 26 -0.795 2.392 -7.548 1.00 71.13 O ATOM 380 CB VAL A 26 -0.003 1.226 -4.622 1.00 42.20 C ATOM 381 CG1 VAL A 26 0.644 2.605 -4.782 1.00 1.44 C ATOM 382 CG2 VAL A 26 -1.037 1.332 -3.499 1.00 1.13 C ATOM 0 H VAL A 26 0.872 0.819 -7.377 1.00 61.11 H new ATOM 0 HA VAL A 26 -1.305 -0.125 -5.587 1.00 15.11 H new ATOM 0 HB VAL A 26 0.777 0.508 -4.369 1.00 42.20 H new ATOM 0 HG11 VAL A 26 1.047 2.931 -3.823 1.00 1.44 H new ATOM 0 HG12 VAL A 26 1.450 2.546 -5.513 1.00 1.44 H new ATOM 0 HG13 VAL A 26 -0.104 3.320 -5.124 1.00 1.44 H new ATOM 0 HG21 VAL A 26 -0.564 1.741 -2.606 1.00 1.13 H new ATOM 0 HG22 VAL A 26 -1.849 1.989 -3.812 1.00 1.13 H new ATOM 0 HG23 VAL A 26 -1.436 0.342 -3.277 1.00 1.13 H new ATOM 392 N THR A 27 -2.683 1.775 -6.477 1.00 61.11 N ATOM 393 CA THR A 27 -3.593 2.705 -7.114 1.00 60.13 C ATOM 394 C THR A 27 -4.338 3.434 -5.998 1.00 21.22 C ATOM 395 O THR A 27 -4.610 2.825 -4.961 1.00 11.25 O ATOM 396 CB THR A 27 -4.538 1.896 -8.013 1.00 52.14 C ATOM 397 OG1 THR A 27 -3.819 1.023 -8.867 1.00 40.31 O ATOM 398 CG2 THR A 27 -5.409 2.837 -8.831 1.00 75.14 C ATOM 0 H THR A 27 -3.144 1.184 -5.786 1.00 61.11 H new ATOM 0 HA THR A 27 -3.086 3.442 -7.737 1.00 60.13 H new ATOM 0 HB THR A 27 -5.173 1.284 -7.373 1.00 52.14 H new ATOM 0 HG1 THR A 27 -4.448 0.520 -9.426 1.00 40.31 H new ATOM 0 HG21 THR A 27 -6.077 2.255 -9.466 1.00 75.14 H new ATOM 0 HG22 THR A 27 -5.999 3.462 -8.160 1.00 75.14 H new ATOM 0 HG23 THR A 27 -4.776 3.470 -9.453 1.00 75.14 H new ATOM 406 N TRP A 28 -4.659 4.718 -6.176 1.00 62.43 N ATOM 407 CA TRP A 28 -5.295 5.559 -5.154 1.00 63.24 C ATOM 408 C TRP A 28 -6.317 6.523 -5.777 1.00 32.03 C ATOM 409 O TRP A 28 -6.710 7.528 -5.186 1.00 2.34 O ATOM 410 CB TRP A 28 -4.184 6.269 -4.373 1.00 42.53 C ATOM 411 CG TRP A 28 -3.306 7.231 -5.096 1.00 20.03 C ATOM 412 CD1 TRP A 28 -3.465 8.573 -5.111 1.00 31.31 C ATOM 413 CD2 TRP A 28 -2.063 6.961 -5.795 1.00 55.30 C ATOM 414 NE1 TRP A 28 -2.377 9.156 -5.726 1.00 63.44 N ATOM 415 CE2 TRP A 28 -1.473 8.206 -6.154 1.00 41.43 C ATOM 416 CE3 TRP A 28 -1.363 5.785 -6.124 1.00 35.22 C ATOM 417 CZ2 TRP A 28 -0.242 8.277 -6.817 1.00 32.31 C ATOM 418 CZ3 TRP A 28 -0.139 5.844 -6.807 1.00 13.11 C ATOM 419 CH2 TRP A 28 0.415 7.086 -7.163 1.00 60.12 C ATOM 0 H TRP A 28 -4.482 5.213 -7.050 1.00 62.43 H new ATOM 0 HA TRP A 28 -5.874 4.951 -4.459 1.00 63.24 H new ATOM 0 HB2 TRP A 28 -4.651 6.804 -3.546 1.00 42.53 H new ATOM 0 HB3 TRP A 28 -3.545 5.502 -3.936 1.00 42.53 H new ATOM 0 HD1 TRP A 28 -4.312 9.106 -4.705 1.00 31.31 H new ATOM 0 HE1 TRP A 28 -2.256 10.161 -5.849 1.00 63.44 H new ATOM 0 HE3 TRP A 28 -1.773 4.825 -5.847 1.00 35.22 H new ATOM 0 HZ2 TRP A 28 0.196 9.234 -7.059 1.00 32.31 H new ATOM 0 HZ3 TRP A 28 0.380 4.931 -7.060 1.00 13.11 H new ATOM 0 HH2 TRP A 28 1.349 7.124 -7.704 1.00 60.12 H new ATOM 429 N ASN A 29 -6.742 6.222 -7.001 1.00 74.40 N ATOM 430 CA ASN A 29 -7.764 6.921 -7.768 1.00 75.42 C ATOM 431 C ASN A 29 -8.067 6.117 -9.019 1.00 22.23 C ATOM 432 O ASN A 29 -7.321 5.210 -9.378 1.00 13.21 O ATOM 433 CB ASN A 29 -7.321 8.332 -8.191 1.00 1.45 C ATOM 434 CG ASN A 29 -8.325 9.370 -7.736 1.00 55.44 C ATOM 435 OD1 ASN A 29 -9.004 9.975 -8.556 1.00 41.21 O ATOM 436 ND2 ASN A 29 -8.446 9.554 -6.434 1.00 32.21 N ATOM 0 H ASN A 29 -6.355 5.431 -7.515 1.00 74.40 H new ATOM 0 HA ASN A 29 -8.643 7.024 -7.131 1.00 75.42 H new ATOM 0 HB2 ASN A 29 -6.343 8.554 -7.764 1.00 1.45 H new ATOM 0 HB3 ASN A 29 -7.213 8.375 -9.275 1.00 1.45 H new ATOM 0 HD21 ASN A 29 -9.127 10.223 -6.075 1.00 32.21 H new ATOM 0 HD22 ASN A 29 -7.858 9.027 -5.788 1.00 32.21 H new ATOM 442 N ASP A 30 -9.113 6.511 -9.734 1.00 74.23 N ATOM 443 CA ASP A 30 -9.642 5.739 -10.874 1.00 3.01 C ATOM 444 C ASP A 30 -8.771 5.821 -12.142 1.00 14.24 C ATOM 445 O ASP A 30 -9.158 5.363 -13.220 1.00 60.33 O ATOM 446 CB ASP A 30 -11.121 6.082 -11.129 1.00 2.03 C ATOM 447 CG ASP A 30 -12.029 5.231 -10.248 1.00 72.41 C ATOM 448 OD1 ASP A 30 -12.073 3.994 -10.414 1.00 12.33 O ATOM 449 OD2 ASP A 30 -12.650 5.769 -9.298 1.00 21.53 O ATOM 0 H ASP A 30 -9.625 7.373 -9.548 1.00 74.23 H new ATOM 0 HA ASP A 30 -9.594 4.688 -10.590 1.00 3.01 H new ATOM 0 HB2 ASP A 30 -11.295 7.139 -10.926 1.00 2.03 H new ATOM 0 HB3 ASP A 30 -11.363 5.915 -12.179 1.00 2.03 H new ATOM 453 N GLY A 31 -7.551 6.344 -12.040 1.00 2.43 N ATOM 454 CA GLY A 31 -6.549 6.255 -13.092 1.00 62.20 C ATOM 455 C GLY A 31 -5.212 6.861 -12.690 1.00 0.11 C ATOM 456 O GLY A 31 -4.524 7.454 -13.522 1.00 22.55 O ATOM 0 H GLY A 31 -7.230 6.847 -11.213 1.00 2.43 H new ATOM 0 HA2 GLY A 31 -6.402 5.209 -13.359 1.00 62.20 H new ATOM 0 HA3 GLY A 31 -6.919 6.762 -13.983 1.00 62.20 H new ATOM 460 N LYS A 32 -4.839 6.775 -11.411 1.00 40.11 N ATOM 461 CA LYS A 32 -3.588 7.290 -10.910 1.00 51.32 C ATOM 462 C LYS A 32 -3.004 6.167 -10.068 1.00 75.22 C ATOM 463 O LYS A 32 -3.514 5.861 -8.987 1.00 3.14 O ATOM 464 CB LYS A 32 -3.858 8.615 -10.182 1.00 41.34 C ATOM 465 CG LYS A 32 -2.698 9.072 -9.305 1.00 34.21 C ATOM 466 CD LYS A 32 -1.351 9.311 -10.006 1.00 15.44 C ATOM 467 CE LYS A 32 -1.351 10.497 -10.979 1.00 32.22 C ATOM 468 NZ LYS A 32 -1.548 10.126 -12.393 1.00 55.24 N ATOM 0 H LYS A 32 -5.415 6.336 -10.693 1.00 40.11 H new ATOM 0 HA LYS A 32 -2.852 7.550 -11.671 1.00 51.32 H new ATOM 0 HB2 LYS A 32 -4.073 9.389 -10.919 1.00 41.34 H new ATOM 0 HB3 LYS A 32 -4.750 8.506 -9.565 1.00 41.34 H new ATOM 0 HG2 LYS A 32 -2.991 9.997 -8.809 1.00 34.21 H new ATOM 0 HG3 LYS A 32 -2.547 8.326 -8.525 1.00 34.21 H new ATOM 0 HD2 LYS A 32 -0.584 9.476 -9.249 1.00 15.44 H new ATOM 0 HD3 LYS A 32 -1.072 8.409 -10.550 1.00 15.44 H new ATOM 0 HE2 LYS A 32 -2.138 11.192 -10.685 1.00 32.22 H new ATOM 0 HE3 LYS A 32 -0.404 11.029 -10.884 1.00 32.22 H new ATOM 0 HZ1 LYS A 32 -1.535 10.983 -12.982 1.00 55.24 H new ATOM 0 HZ2 LYS A 32 -0.784 9.487 -12.694 1.00 55.24 H new ATOM 0 HZ3 LYS A 32 -2.464 9.645 -12.501 1.00 55.24 H new ATOM 478 N GLU A 33 -1.984 5.526 -10.626 1.00 11.23 N ATOM 479 CA GLU A 33 -1.218 4.465 -9.999 1.00 20.22 C ATOM 480 C GLU A 33 0.260 4.838 -10.051 1.00 63.50 C ATOM 481 O GLU A 33 0.649 5.819 -10.691 1.00 0.45 O ATOM 482 CB GLU A 33 -1.419 3.098 -10.687 1.00 51.22 C ATOM 483 CG GLU A 33 -2.744 2.850 -11.403 1.00 14.24 C ATOM 484 CD GLU A 33 -2.563 2.888 -12.915 1.00 71.30 C ATOM 485 OE1 GLU A 33 -2.343 3.995 -13.453 1.00 14.31 O ATOM 486 OE2 GLU A 33 -2.537 1.782 -13.513 1.00 24.24 O ATOM 0 H GLU A 33 -1.657 5.743 -11.568 1.00 11.23 H new ATOM 0 HA GLU A 33 -1.568 4.364 -8.972 1.00 20.22 H new ATOM 0 HB2 GLU A 33 -0.616 2.967 -11.413 1.00 51.22 H new ATOM 0 HB3 GLU A 33 -1.296 2.322 -9.932 1.00 51.22 H new ATOM 0 HG2 GLU A 33 -3.146 1.882 -11.106 1.00 14.24 H new ATOM 0 HG3 GLU A 33 -3.471 3.604 -11.101 1.00 14.24 H new ATOM 491 N GLN A 34 1.075 4.000 -9.425 1.00 54.12 N ATOM 492 CA GLN A 34 2.521 3.935 -9.626 1.00 12.05 C ATOM 493 C GLN A 34 3.002 2.530 -9.264 1.00 53.31 C ATOM 494 O GLN A 34 2.250 1.769 -8.637 1.00 71.30 O ATOM 495 CB GLN A 34 3.238 5.057 -8.844 1.00 55.54 C ATOM 496 CG GLN A 34 3.292 4.902 -7.313 1.00 60.40 C ATOM 497 CD GLN A 34 4.650 4.391 -6.845 1.00 75.01 C ATOM 498 OE1 GLN A 34 5.674 5.044 -7.007 1.00 12.52 O ATOM 499 NE2 GLN A 34 4.707 3.215 -6.259 1.00 11.43 N ATOM 0 H GLN A 34 0.739 3.323 -8.740 1.00 54.12 H new ATOM 0 HA GLN A 34 2.771 4.111 -10.672 1.00 12.05 H new ATOM 0 HB2 GLN A 34 4.260 5.132 -9.215 1.00 55.54 H new ATOM 0 HB3 GLN A 34 2.745 6.002 -9.074 1.00 55.54 H new ATOM 0 HG2 GLN A 34 3.083 5.863 -6.842 1.00 60.40 H new ATOM 0 HG3 GLN A 34 2.512 4.212 -6.989 1.00 60.40 H new ATOM 0 HE21 GLN A 34 3.855 2.671 -6.124 1.00 11.43 H new ATOM 0 HE22 GLN A 34 5.603 2.847 -5.940 1.00 11.43 H new ATOM 506 N THR A 35 4.251 2.196 -9.602 1.00 71.24 N ATOM 507 CA THR A 35 4.855 0.941 -9.182 1.00 23.55 C ATOM 508 C THR A 35 6.161 1.174 -8.433 1.00 54.43 C ATOM 509 O THR A 35 6.768 2.244 -8.537 1.00 5.43 O ATOM 510 CB THR A 35 4.995 -0.063 -10.345 1.00 70.14 C ATOM 511 OG1 THR A 35 5.956 0.276 -11.322 1.00 10.25 O ATOM 512 CG2 THR A 35 3.682 -0.315 -11.062 1.00 24.45 C ATOM 0 H THR A 35 4.861 2.785 -10.169 1.00 71.24 H new ATOM 0 HA THR A 35 4.171 0.472 -8.475 1.00 23.55 H new ATOM 0 HB THR A 35 5.337 -0.963 -9.835 1.00 70.14 H new ATOM 0 HG1 THR A 35 5.976 -0.416 -12.016 1.00 10.25 H new ATOM 0 HG21 THR A 35 3.840 -1.029 -11.870 1.00 24.45 H new ATOM 0 HG22 THR A 35 2.955 -0.719 -10.358 1.00 24.45 H new ATOM 0 HG23 THR A 35 3.307 0.622 -11.474 1.00 24.45 H new ATOM 520 N VAL A 36 6.589 0.151 -7.695 1.00 31.34 N ATOM 521 CA VAL A 36 7.853 0.120 -6.976 1.00 4.22 C ATOM 522 C VAL A 36 8.719 -0.951 -7.636 1.00 33.45 C ATOM 523 O VAL A 36 8.202 -1.984 -8.078 1.00 12.01 O ATOM 524 CB VAL A 36 7.604 -0.167 -5.480 1.00 33.02 C ATOM 525 CG1 VAL A 36 8.892 -0.286 -4.659 1.00 65.41 C ATOM 526 CG2 VAL A 36 6.697 0.885 -4.823 1.00 71.44 C ATOM 0 H VAL A 36 6.045 -0.704 -7.580 1.00 31.34 H new ATOM 0 HA VAL A 36 8.367 1.080 -7.023 1.00 4.22 H new ATOM 0 HB VAL A 36 7.102 -1.134 -5.473 1.00 33.02 H new ATOM 0 HG11 VAL A 36 8.642 -0.488 -3.617 1.00 65.41 H new ATOM 0 HG12 VAL A 36 9.499 -1.102 -5.051 1.00 65.41 H new ATOM 0 HG13 VAL A 36 9.452 0.647 -4.724 1.00 65.41 H new ATOM 0 HG21 VAL A 36 6.554 0.636 -3.771 1.00 71.44 H new ATOM 0 HG22 VAL A 36 7.162 1.868 -4.903 1.00 71.44 H new ATOM 0 HG23 VAL A 36 5.731 0.899 -5.327 1.00 71.44 H new ATOM 536 N ASN A 37 10.030 -0.695 -7.651 1.00 1.03 N ATOM 537 CA ASN A 37 11.068 -1.619 -8.086 1.00 4.05 C ATOM 538 C ASN A 37 10.996 -2.926 -7.288 1.00 10.03 C ATOM 539 O ASN A 37 10.507 -3.918 -7.829 1.00 45.13 O ATOM 540 CB ASN A 37 12.448 -0.927 -8.037 1.00 10.41 C ATOM 541 CG ASN A 37 13.641 -1.874 -7.909 1.00 5.00 C ATOM 542 OD1 ASN A 37 13.634 -2.990 -8.424 1.00 34.30 O ATOM 543 ND2 ASN A 37 14.661 -1.454 -7.180 1.00 22.10 N ATOM 0 H ASN A 37 10.408 0.202 -7.346 1.00 1.03 H new ATOM 0 HA ASN A 37 10.905 -1.900 -9.126 1.00 4.05 H new ATOM 0 HB2 ASN A 37 12.571 -0.331 -8.942 1.00 10.41 H new ATOM 0 HB3 ASN A 37 12.461 -0.235 -7.195 1.00 10.41 H new ATOM 0 HD21 ASN A 37 15.468 -2.061 -7.034 1.00 22.10 H new ATOM 0 HD22 ASN A 37 14.641 -0.523 -6.764 1.00 22.10 H new ATOM 549 N THR A 38 11.466 -2.948 -6.037 1.00 21.55 N ATOM 550 CA THR A 38 11.587 -4.152 -5.226 1.00 43.40 C ATOM 551 C THR A 38 11.391 -3.802 -3.748 1.00 51.23 C ATOM 552 O THR A 38 11.801 -2.738 -3.285 1.00 74.10 O ATOM 553 CB THR A 38 12.938 -4.842 -5.551 1.00 14.03 C ATOM 554 OG1 THR A 38 12.997 -5.234 -6.912 1.00 61.13 O ATOM 555 CG2 THR A 38 13.229 -6.119 -4.757 1.00 10.31 C ATOM 0 H THR A 38 11.779 -2.106 -5.553 1.00 21.55 H new ATOM 0 HA THR A 38 10.806 -4.875 -5.461 1.00 43.40 H new ATOM 0 HB THR A 38 13.670 -4.080 -5.285 1.00 14.03 H new ATOM 0 HG1 THR A 38 13.219 -4.457 -7.467 1.00 61.13 H new ATOM 0 HG21 THR A 38 14.196 -6.523 -5.059 1.00 10.31 H new ATOM 0 HG22 THR A 38 13.248 -5.889 -3.692 1.00 10.31 H new ATOM 0 HG23 THR A 38 12.451 -6.856 -4.955 1.00 10.31 H new ATOM 563 N LEU A 39 10.745 -4.712 -3.017 1.00 63.12 N ATOM 564 CA LEU A 39 10.452 -4.666 -1.596 1.00 52.31 C ATOM 565 C LEU A 39 10.818 -6.042 -1.069 1.00 2.41 C ATOM 566 O LEU A 39 10.120 -7.034 -1.305 1.00 31.33 O ATOM 567 CB LEU A 39 8.975 -4.321 -1.323 1.00 55.24 C ATOM 568 CG LEU A 39 8.705 -3.136 -0.379 1.00 51.42 C ATOM 569 CD1 LEU A 39 9.577 -1.893 -0.614 1.00 43.52 C ATOM 570 CD2 LEU A 39 7.244 -2.713 -0.485 1.00 64.10 C ATOM 0 H LEU A 39 10.387 -5.566 -3.444 1.00 63.12 H new ATOM 0 HA LEU A 39 11.019 -3.881 -1.096 1.00 52.31 H new ATOM 0 HB2 LEU A 39 8.492 -4.112 -2.278 1.00 55.24 H new ATOM 0 HB3 LEU A 39 8.490 -5.204 -0.907 1.00 55.24 H new ATOM 0 HG LEU A 39 8.960 -3.511 0.612 1.00 51.42 H new ATOM 0 HD11 LEU A 39 9.306 -1.118 0.103 1.00 43.52 H new ATOM 0 HD12 LEU A 39 10.627 -2.156 -0.486 1.00 43.52 H new ATOM 0 HD13 LEU A 39 9.417 -1.522 -1.626 1.00 43.52 H new ATOM 0 HD21 LEU A 39 7.059 -1.874 0.185 1.00 64.10 H new ATOM 0 HD22 LEU A 39 7.025 -2.414 -1.510 1.00 64.10 H new ATOM 0 HD23 LEU A 39 6.602 -3.549 -0.206 1.00 64.10 H new ATOM 581 N GLY A 40 11.946 -6.077 -0.377 1.00 35.02 N ATOM 582 CA GLY A 40 12.434 -7.242 0.331 1.00 54.13 C ATOM 583 C GLY A 40 11.429 -7.717 1.364 1.00 0.13 C ATOM 584 O GLY A 40 10.426 -7.053 1.644 1.00 32.41 O ATOM 0 H GLY A 40 12.563 -5.269 -0.292 1.00 35.02 H new ATOM 0 HA2 GLY A 40 12.636 -8.044 -0.379 1.00 54.13 H new ATOM 0 HA3 GLY A 40 13.378 -7.004 0.821 1.00 54.13 H new ATOM 588 N SER A 41 11.722 -8.871 1.944 1.00 22.55 N ATOM 589 CA SER A 41 11.095 -9.300 3.175 1.00 73.12 C ATOM 590 C SER A 41 11.271 -8.175 4.189 1.00 13.41 C ATOM 591 O SER A 41 12.405 -7.762 4.429 1.00 11.42 O ATOM 592 CB SER A 41 11.743 -10.615 3.621 1.00 0.22 C ATOM 593 OG SER A 41 13.159 -10.555 3.548 1.00 52.50 O ATOM 0 H SER A 41 12.402 -9.533 1.571 1.00 22.55 H new ATOM 0 HA SER A 41 10.029 -9.493 3.060 1.00 73.12 H new ATOM 0 HB2 SER A 41 11.441 -10.841 4.644 1.00 0.22 H new ATOM 0 HB3 SER A 41 11.381 -11.430 2.994 1.00 0.22 H new ATOM 0 HG SER A 41 13.461 -9.656 3.795 1.00 52.50 H new ATOM 598 N HIS A 42 10.164 -7.698 4.753 1.00 1.13 N ATOM 599 CA HIS A 42 10.080 -6.603 5.710 1.00 41.22 C ATOM 600 C HIS A 42 10.456 -5.234 5.138 1.00 20.04 C ATOM 601 O HIS A 42 10.626 -4.299 5.927 1.00 24.25 O ATOM 602 CB HIS A 42 10.829 -6.970 7.013 1.00 22.41 C ATOM 603 CG HIS A 42 9.955 -7.663 8.018 1.00 23.23 C ATOM 604 ND1 HIS A 42 9.811 -7.286 9.330 1.00 62.32 N ATOM 605 CD2 HIS A 42 9.117 -8.717 7.786 1.00 74.14 C ATOM 606 CE1 HIS A 42 8.853 -8.054 9.867 1.00 31.12 C ATOM 607 NE2 HIS A 42 8.418 -8.964 8.973 1.00 33.43 N ATOM 0 H HIS A 42 9.247 -8.091 4.540 1.00 1.13 H new ATOM 0 HA HIS A 42 9.027 -6.477 5.962 1.00 41.22 H new ATOM 0 HB2 HIS A 42 11.675 -7.614 6.770 1.00 22.41 H new ATOM 0 HB3 HIS A 42 11.237 -6.063 7.459 1.00 22.41 H new ATOM 0 HD2 HIS A 42 9.013 -9.259 6.858 1.00 74.14 H new ATOM 0 HE1 HIS A 42 8.481 -7.957 10.876 1.00 31.12 H new ATOM 0 HE2 HIS A 42 7.718 -9.689 9.130 1.00 33.43 H new ATOM 614 N ASP A 43 10.541 -5.056 3.809 1.00 20.01 N ATOM 615 CA ASP A 43 11.019 -3.770 3.286 1.00 4.32 C ATOM 616 C ASP A 43 9.890 -2.763 3.280 1.00 51.14 C ATOM 617 O ASP A 43 8.727 -3.093 3.532 1.00 54.13 O ATOM 618 CB ASP A 43 11.599 -3.940 1.882 1.00 75.11 C ATOM 619 CG ASP A 43 12.614 -2.906 1.400 1.00 31.41 C ATOM 620 OD1 ASP A 43 12.841 -1.901 2.104 1.00 22.03 O ATOM 621 OD2 ASP A 43 13.157 -3.135 0.291 1.00 12.43 O ATOM 0 H ASP A 43 10.297 -5.753 3.106 1.00 20.01 H new ATOM 0 HA ASP A 43 11.813 -3.401 3.935 1.00 4.32 H new ATOM 0 HB2 ASP A 43 12.071 -4.921 1.831 1.00 75.11 H new ATOM 0 HB3 ASP A 43 10.769 -3.949 1.176 1.00 75.11 H new ATOM 625 N SER A 44 10.221 -1.523 2.966 1.00 34.35 N ATOM 626 CA SER A 44 9.237 -0.451 2.918 1.00 63.04 C ATOM 627 C SER A 44 9.688 0.752 2.112 1.00 0.51 C ATOM 628 O SER A 44 10.886 0.953 1.913 1.00 75.44 O ATOM 629 CB SER A 44 8.876 -0.043 4.347 1.00 74.22 C ATOM 630 OG SER A 44 10.016 0.310 5.119 1.00 73.24 O ATOM 0 H SER A 44 11.171 -1.230 2.738 1.00 34.35 H new ATOM 0 HA SER A 44 8.359 -0.836 2.399 1.00 63.04 H new ATOM 0 HB2 SER A 44 8.187 0.801 4.317 1.00 74.22 H new ATOM 0 HB3 SER A 44 8.352 -0.865 4.834 1.00 74.22 H new ATOM 0 HG SER A 44 9.733 0.564 6.022 1.00 73.24 H new ATOM 635 N ILE A 45 8.739 1.589 1.689 1.00 51.53 N ATOM 636 CA ILE A 45 9.013 2.749 0.852 1.00 73.43 C ATOM 637 C ILE A 45 7.793 3.650 0.885 1.00 42.21 C ATOM 638 O ILE A 45 6.672 3.150 0.879 1.00 43.13 O ATOM 639 CB ILE A 45 9.347 2.287 -0.581 1.00 54.42 C ATOM 640 CG1 ILE A 45 9.739 3.471 -1.483 1.00 44.50 C ATOM 641 CG2 ILE A 45 8.229 1.464 -1.251 1.00 64.22 C ATOM 642 CD1 ILE A 45 10.681 3.024 -2.606 1.00 24.25 C ATOM 0 H ILE A 45 7.752 1.476 1.922 1.00 51.53 H new ATOM 0 HA ILE A 45 9.874 3.306 1.221 1.00 73.43 H new ATOM 0 HB ILE A 45 10.202 1.621 -0.467 1.00 54.42 H new ATOM 0 HG12 ILE A 45 8.842 3.917 -1.913 1.00 44.50 H new ATOM 0 HG13 ILE A 45 10.223 4.243 -0.885 1.00 44.50 H new ATOM 0 HG21 ILE A 45 8.540 1.177 -2.255 1.00 64.22 H new ATOM 0 HG22 ILE A 45 8.034 0.568 -0.662 1.00 64.22 H new ATOM 0 HG23 ILE A 45 7.321 2.064 -1.310 1.00 64.22 H new ATOM 0 HD11 ILE A 45 10.940 3.882 -3.226 1.00 24.25 H new ATOM 0 HD12 ILE A 45 11.588 2.602 -2.174 1.00 24.25 H new ATOM 0 HD13 ILE A 45 10.186 2.270 -3.218 1.00 24.25 H new ATOM 653 N ASP A 46 8.004 4.958 0.881 1.00 1.41 N ATOM 654 CA ASP A 46 6.942 5.952 0.756 1.00 4.51 C ATOM 655 C ASP A 46 7.168 6.717 -0.531 1.00 52.32 C ATOM 656 O ASP A 46 8.306 6.855 -0.995 1.00 33.45 O ATOM 657 CB ASP A 46 6.907 6.907 1.950 1.00 72.12 C ATOM 658 CG ASP A 46 5.864 7.993 1.774 1.00 35.32 C ATOM 659 OD1 ASP A 46 4.671 7.693 1.993 1.00 12.44 O ATOM 660 OD2 ASP A 46 6.295 9.130 1.471 1.00 32.12 O ATOM 0 H ASP A 46 8.934 5.368 0.966 1.00 1.41 H new ATOM 0 HA ASP A 46 5.977 5.445 0.738 1.00 4.51 H new ATOM 0 HB2 ASP A 46 6.695 6.344 2.859 1.00 72.12 H new ATOM 0 HB3 ASP A 46 7.888 7.363 2.079 1.00 72.12 H new ATOM 664 N PHE A 47 6.076 7.179 -1.122 1.00 1.54 N ATOM 665 CA PHE A 47 6.117 8.030 -2.301 1.00 55.50 C ATOM 666 C PHE A 47 5.031 9.106 -2.218 1.00 14.25 C ATOM 667 O PHE A 47 3.907 8.863 -1.761 1.00 1.54 O ATOM 668 CB PHE A 47 6.041 7.160 -3.581 1.00 24.41 C ATOM 669 CG PHE A 47 5.154 5.935 -3.474 1.00 60.30 C ATOM 670 CD1 PHE A 47 5.658 4.741 -2.916 1.00 32.14 C ATOM 671 CD2 PHE A 47 3.811 6.009 -3.881 1.00 44.44 C ATOM 672 CE1 PHE A 47 4.797 3.649 -2.711 1.00 44.31 C ATOM 673 CE2 PHE A 47 2.952 4.919 -3.677 1.00 31.32 C ATOM 674 CZ PHE A 47 3.444 3.745 -3.076 1.00 2.12 C ATOM 0 H PHE A 47 5.132 6.973 -0.795 1.00 1.54 H new ATOM 0 HA PHE A 47 7.065 8.565 -2.348 1.00 55.50 H new ATOM 0 HB2 PHE A 47 5.681 7.780 -4.402 1.00 24.41 H new ATOM 0 HB3 PHE A 47 7.049 6.838 -3.843 1.00 24.41 H new ATOM 0 HD1 PHE A 47 6.701 4.666 -2.647 1.00 32.14 H new ATOM 0 HD2 PHE A 47 3.439 6.907 -4.352 1.00 44.44 H new ATOM 0 HE1 PHE A 47 5.175 2.737 -2.273 1.00 44.31 H new ATOM 0 HE2 PHE A 47 1.917 4.980 -3.980 1.00 31.32 H new ATOM 0 HZ PHE A 47 2.778 2.914 -2.895 1.00 2.12 H new ATOM 683 N SER A 48 5.361 10.309 -2.697 1.00 32.14 N ATOM 684 CA SER A 48 4.457 11.444 -2.819 1.00 14.52 C ATOM 685 C SER A 48 3.368 11.116 -3.844 1.00 55.52 C ATOM 686 O SER A 48 3.664 10.448 -4.841 1.00 3.14 O ATOM 687 CB SER A 48 5.298 12.614 -3.352 1.00 3.22 C ATOM 688 OG SER A 48 5.998 13.303 -2.334 1.00 1.52 O ATOM 0 H SER A 48 6.304 10.522 -3.022 1.00 32.14 H new ATOM 0 HA SER A 48 3.989 11.682 -1.864 1.00 14.52 H new ATOM 0 HB2 SER A 48 6.012 12.237 -4.084 1.00 3.22 H new ATOM 0 HB3 SER A 48 4.646 13.314 -3.874 1.00 3.22 H new ATOM 0 HG SER A 48 6.516 14.034 -2.731 1.00 1.52 H new ATOM 693 N SER A 49 2.137 11.592 -3.618 1.00 33.12 N ATOM 694 CA SER A 49 1.011 11.401 -4.529 1.00 1.43 C ATOM 695 C SER A 49 1.214 12.259 -5.790 1.00 35.25 C ATOM 696 O SER A 49 2.210 12.978 -5.925 1.00 13.41 O ATOM 697 CB SER A 49 -0.301 11.702 -3.760 1.00 35.33 C ATOM 698 OG SER A 49 -0.645 13.086 -3.771 1.00 35.21 O ATOM 0 H SER A 49 1.896 12.128 -2.784 1.00 33.12 H new ATOM 0 HA SER A 49 0.945 10.371 -4.879 1.00 1.43 H new ATOM 0 HB2 SER A 49 -1.115 11.127 -4.201 1.00 35.33 H new ATOM 0 HB3 SER A 49 -0.197 11.367 -2.728 1.00 35.33 H new ATOM 0 HG SER A 49 -1.552 13.201 -3.417 1.00 35.21 H new ATOM 703 N ASP A 50 0.210 12.304 -6.665 1.00 12.41 N ATOM 704 CA ASP A 50 0.056 13.413 -7.608 1.00 1.44 C ATOM 705 C ASP A 50 -1.426 13.741 -7.764 1.00 21.45 C ATOM 706 O ASP A 50 -1.961 13.817 -8.872 1.00 24.04 O ATOM 707 CB ASP A 50 0.727 13.071 -8.940 1.00 2.22 C ATOM 708 CG ASP A 50 0.967 14.338 -9.759 1.00 1.53 C ATOM 709 OD1 ASP A 50 1.550 15.295 -9.207 1.00 54.53 O ATOM 710 OD2 ASP A 50 0.711 14.350 -10.986 1.00 5.33 O ATOM 0 H ASP A 50 -0.510 11.585 -6.741 1.00 12.41 H new ATOM 0 HA ASP A 50 0.553 14.304 -7.226 1.00 1.44 H new ATOM 0 HB2 ASP A 50 1.675 12.564 -8.757 1.00 2.22 H new ATOM 0 HB3 ASP A 50 0.100 12.380 -9.503 1.00 2.22 H new ATOM 714 N ALA A 51 -2.139 13.774 -6.631 1.00 74.22 N ATOM 715 CA ALA A 51 -3.595 13.697 -6.616 1.00 41.32 C ATOM 716 C ALA A 51 -4.271 14.661 -5.641 1.00 40.34 C ATOM 717 O ALA A 51 -5.470 14.883 -5.775 1.00 54.31 O ATOM 718 CB ALA A 51 -3.971 12.243 -6.314 1.00 15.21 C ATOM 0 H ALA A 51 -1.719 13.855 -5.705 1.00 74.22 H new ATOM 0 HA ALA A 51 -3.963 14.012 -7.593 1.00 41.32 H new ATOM 0 HB1 ALA A 51 -5.056 12.144 -6.294 1.00 15.21 H new ATOM 0 HB2 ALA A 51 -3.562 11.593 -7.087 1.00 15.21 H new ATOM 0 HB3 ALA A 51 -3.563 11.955 -5.345 1.00 15.21 H new ATOM 724 N GLY A 52 -3.547 15.250 -4.685 1.00 13.43 N ATOM 725 CA GLY A 52 -4.139 16.143 -3.689 1.00 52.14 C ATOM 726 C GLY A 52 -4.800 15.366 -2.559 1.00 72.14 C ATOM 727 O GLY A 52 -4.424 15.521 -1.397 1.00 41.32 O ATOM 0 H GLY A 52 -2.540 15.122 -4.581 1.00 13.43 H new ATOM 0 HA2 GLY A 52 -3.367 16.795 -3.280 1.00 52.14 H new ATOM 0 HA3 GLY A 52 -4.877 16.786 -4.169 1.00 52.14 H new ATOM 731 N SER A 53 -5.768 14.515 -2.884 1.00 62.32 N ATOM 732 CA SER A 53 -6.499 13.713 -1.919 1.00 33.45 C ATOM 733 C SER A 53 -6.819 12.335 -2.511 1.00 21.23 C ATOM 734 O SER A 53 -6.570 12.055 -3.684 1.00 32.24 O ATOM 735 CB SER A 53 -7.726 14.504 -1.423 1.00 72.31 C ATOM 736 OG SER A 53 -8.394 15.205 -2.460 1.00 61.42 O ATOM 0 H SER A 53 -6.070 14.363 -3.846 1.00 62.32 H new ATOM 0 HA SER A 53 -5.892 13.511 -1.036 1.00 33.45 H new ATOM 0 HB2 SER A 53 -8.426 13.817 -0.948 1.00 72.31 H new ATOM 0 HB3 SER A 53 -7.408 15.214 -0.659 1.00 72.31 H new ATOM 0 HG SER A 53 -9.163 15.686 -2.088 1.00 61.42 H new ATOM 741 N VAL A 54 -7.293 11.436 -1.654 1.00 62.34 N ATOM 742 CA VAL A 54 -7.716 10.077 -1.915 1.00 32.01 C ATOM 743 C VAL A 54 -8.684 9.666 -0.798 1.00 13.35 C ATOM 744 O VAL A 54 -8.733 10.324 0.241 1.00 43.21 O ATOM 745 CB VAL A 54 -6.460 9.190 -2.078 1.00 21.04 C ATOM 746 CG1 VAL A 54 -5.320 9.418 -1.073 1.00 41.30 C ATOM 747 CG2 VAL A 54 -6.816 7.700 -2.016 1.00 42.42 C ATOM 0 H VAL A 54 -7.398 11.670 -0.667 1.00 62.34 H new ATOM 0 HA VAL A 54 -8.267 9.964 -2.849 1.00 32.01 H new ATOM 0 HB VAL A 54 -6.090 9.496 -3.057 1.00 21.04 H new ATOM 0 HG11 VAL A 54 -4.499 8.736 -1.293 1.00 41.30 H new ATOM 0 HG12 VAL A 54 -4.968 10.447 -1.149 1.00 41.30 H new ATOM 0 HG13 VAL A 54 -5.684 9.233 -0.062 1.00 41.30 H new ATOM 0 HG21 VAL A 54 -5.911 7.104 -2.134 1.00 42.42 H new ATOM 0 HG22 VAL A 54 -7.275 7.475 -1.053 1.00 42.42 H new ATOM 0 HG23 VAL A 54 -7.515 7.459 -2.817 1.00 42.42 H new ATOM 757 N TYR A 55 -9.445 8.593 -1.021 1.00 22.32 N ATOM 758 CA TYR A 55 -10.330 7.914 -0.072 1.00 53.41 C ATOM 759 C TYR A 55 -10.413 6.402 -0.352 1.00 44.33 C ATOM 760 O TYR A 55 -11.245 5.701 0.226 1.00 22.32 O ATOM 761 CB TYR A 55 -11.711 8.578 -0.116 1.00 74.10 C ATOM 762 CG TYR A 55 -12.102 9.097 -1.493 1.00 75.04 C ATOM 763 CD1 TYR A 55 -12.303 8.197 -2.562 1.00 42.43 C ATOM 764 CD2 TYR A 55 -12.130 10.486 -1.730 1.00 61.12 C ATOM 765 CE1 TYR A 55 -12.563 8.678 -3.861 1.00 14.13 C ATOM 766 CE2 TYR A 55 -12.416 10.975 -3.015 1.00 52.44 C ATOM 767 CZ TYR A 55 -12.666 10.076 -4.075 1.00 54.43 C ATOM 768 OH TYR A 55 -13.029 10.580 -5.285 1.00 63.31 O ATOM 0 H TYR A 55 -9.460 8.143 -1.936 1.00 22.32 H new ATOM 0 HA TYR A 55 -9.920 8.014 0.933 1.00 53.41 H new ATOM 0 HB2 TYR A 55 -12.460 7.859 0.217 1.00 74.10 H new ATOM 0 HB3 TYR A 55 -11.728 9.407 0.592 1.00 74.10 H new ATOM 0 HD1 TYR A 55 -12.257 7.133 -2.383 1.00 42.43 H new ATOM 0 HD2 TYR A 55 -11.931 11.175 -0.922 1.00 61.12 H new ATOM 0 HE1 TYR A 55 -12.682 7.989 -4.684 1.00 14.13 H new ATOM 0 HE2 TYR A 55 -12.445 12.040 -3.193 1.00 52.44 H new ATOM 0 HH TYR A 55 -13.046 11.559 -5.240 1.00 63.31 H new ATOM 777 N LYS A 56 -9.569 5.858 -1.237 1.00 43.22 N ATOM 778 CA LYS A 56 -9.598 4.452 -1.636 1.00 51.23 C ATOM 779 C LYS A 56 -8.219 3.986 -2.066 1.00 40.23 C ATOM 780 O LYS A 56 -7.367 4.832 -2.328 1.00 23.13 O ATOM 781 CB LYS A 56 -10.607 4.293 -2.770 1.00 31.31 C ATOM 782 CG LYS A 56 -10.168 4.938 -4.102 1.00 13.32 C ATOM 783 CD LYS A 56 -11.336 4.976 -5.084 1.00 35.25 C ATOM 784 CE LYS A 56 -11.785 3.546 -5.385 1.00 3.22 C ATOM 785 NZ LYS A 56 -12.693 3.490 -6.531 1.00 13.01 N ATOM 0 H LYS A 56 -8.836 6.394 -1.702 1.00 43.22 H new ATOM 0 HA LYS A 56 -9.898 3.834 -0.790 1.00 51.23 H new ATOM 0 HB2 LYS A 56 -10.787 3.231 -2.935 1.00 31.31 H new ATOM 0 HB3 LYS A 56 -11.556 4.732 -2.462 1.00 31.31 H new ATOM 0 HG2 LYS A 56 -9.803 5.949 -3.921 1.00 13.32 H new ATOM 0 HG3 LYS A 56 -9.341 4.373 -4.532 1.00 13.32 H new ATOM 0 HD2 LYS A 56 -12.162 5.549 -4.663 1.00 35.25 H new ATOM 0 HD3 LYS A 56 -11.037 5.478 -6.004 1.00 35.25 H new ATOM 0 HE2 LYS A 56 -10.911 2.925 -5.583 1.00 3.22 H new ATOM 0 HE3 LYS A 56 -12.280 3.129 -4.508 1.00 3.22 H new ATOM 0 HZ1 LYS A 56 -12.975 2.504 -6.703 1.00 13.01 H new ATOM 0 HZ2 LYS A 56 -13.539 4.062 -6.332 1.00 13.01 H new ATOM 0 HZ3 LYS A 56 -12.212 3.865 -7.374 1.00 13.01 H new ATOM 795 N MET A 57 -7.979 2.678 -2.147 1.00 34.45 N ATOM 796 CA MET A 57 -6.680 2.188 -2.575 1.00 4.33 C ATOM 797 C MET A 57 -6.790 0.766 -3.104 1.00 74.40 C ATOM 798 O MET A 57 -7.340 -0.100 -2.428 1.00 24.12 O ATOM 799 CB MET A 57 -5.720 2.254 -1.378 1.00 41.44 C ATOM 800 CG MET A 57 -4.327 1.720 -1.706 1.00 72.11 C ATOM 801 SD MET A 57 -3.122 2.032 -0.396 1.00 60.23 S ATOM 802 CE MET A 57 -2.790 3.778 -0.748 1.00 23.32 C ATOM 0 H MET A 57 -8.660 1.952 -1.924 1.00 34.45 H new ATOM 0 HA MET A 57 -6.299 2.808 -3.387 1.00 4.33 H new ATOM 0 HB2 MET A 57 -5.638 3.287 -1.041 1.00 41.44 H new ATOM 0 HB3 MET A 57 -6.138 1.681 -0.551 1.00 41.44 H new ATOM 0 HG2 MET A 57 -4.389 0.647 -1.886 1.00 72.11 H new ATOM 0 HG3 MET A 57 -3.977 2.179 -2.631 1.00 72.11 H new ATOM 0 HE1 MET A 57 -2.262 4.225 0.095 1.00 23.32 H new ATOM 0 HE2 MET A 57 -2.175 3.858 -1.645 1.00 23.32 H new ATOM 0 HE3 MET A 57 -3.732 4.303 -0.906 1.00 23.32 H new ATOM 810 N ASP A 58 -6.196 0.498 -4.263 1.00 24.23 N ATOM 811 CA ASP A 58 -6.252 -0.796 -4.932 1.00 40.32 C ATOM 812 C ASP A 58 -4.818 -1.261 -5.124 1.00 20.33 C ATOM 813 O ASP A 58 -4.080 -0.751 -5.966 1.00 62.24 O ATOM 814 CB ASP A 58 -7.094 -0.746 -6.213 1.00 42.34 C ATOM 815 CG ASP A 58 -8.576 -0.729 -5.843 1.00 51.44 C ATOM 816 OD1 ASP A 58 -9.089 0.350 -5.474 1.00 75.52 O ATOM 817 OD2 ASP A 58 -9.183 -1.818 -5.797 1.00 73.54 O ATOM 0 H ASP A 58 -5.650 1.191 -4.774 1.00 24.23 H new ATOM 0 HA ASP A 58 -6.774 -1.537 -4.326 1.00 40.32 H new ATOM 0 HB2 ASP A 58 -6.842 0.142 -6.793 1.00 42.34 H new ATOM 0 HB3 ASP A 58 -6.874 -1.610 -6.840 1.00 42.34 H new ATOM 821 N VAL A 59 -4.390 -2.157 -4.234 1.00 15.15 N ATOM 822 CA VAL A 59 -3.023 -2.651 -4.124 1.00 34.51 C ATOM 823 C VAL A 59 -2.914 -3.990 -4.850 1.00 24.44 C ATOM 824 O VAL A 59 -3.869 -4.768 -4.808 1.00 13.02 O ATOM 825 CB VAL A 59 -2.663 -2.860 -2.638 1.00 53.14 C ATOM 826 CG1 VAL A 59 -1.147 -2.959 -2.518 1.00 20.34 C ATOM 827 CG2 VAL A 59 -3.160 -1.771 -1.673 1.00 40.13 C ATOM 0 H VAL A 59 -5.014 -2.573 -3.543 1.00 15.15 H new ATOM 0 HA VAL A 59 -2.341 -1.926 -4.568 1.00 34.51 H new ATOM 0 HB VAL A 59 -3.177 -3.773 -2.337 1.00 53.14 H new ATOM 0 HG11 VAL A 59 -0.874 -3.107 -1.473 1.00 20.34 H new ATOM 0 HG12 VAL A 59 -0.789 -3.802 -3.110 1.00 20.34 H new ATOM 0 HG13 VAL A 59 -0.692 -2.039 -2.885 1.00 20.34 H new ATOM 0 HG21 VAL A 59 -2.852 -2.017 -0.657 1.00 40.13 H new ATOM 0 HG22 VAL A 59 -2.733 -0.810 -1.958 1.00 40.13 H new ATOM 0 HG23 VAL A 59 -4.248 -1.713 -1.719 1.00 40.13 H new ATOM 837 N THR A 60 -1.753 -4.310 -5.426 1.00 60.12 N ATOM 838 CA THR A 60 -1.504 -5.595 -6.065 1.00 20.15 C ATOM 839 C THR A 60 0.010 -5.736 -6.234 1.00 74.40 C ATOM 840 O THR A 60 0.704 -4.764 -6.525 1.00 0.22 O ATOM 841 CB THR A 60 -2.318 -5.681 -7.376 1.00 60.44 C ATOM 842 OG1 THR A 60 -1.991 -6.786 -8.195 1.00 54.20 O ATOM 843 CG2 THR A 60 -2.228 -4.418 -8.218 1.00 12.45 C ATOM 0 H THR A 60 -0.955 -3.676 -5.460 1.00 60.12 H new ATOM 0 HA THR A 60 -1.840 -6.441 -5.466 1.00 20.15 H new ATOM 0 HB THR A 60 -3.340 -5.812 -7.020 1.00 60.44 H new ATOM 0 HG1 THR A 60 -2.548 -6.772 -9.001 1.00 54.20 H new ATOM 0 HG21 THR A 60 -2.821 -4.542 -9.124 1.00 12.45 H new ATOM 0 HG22 THR A 60 -2.611 -3.572 -7.647 1.00 12.45 H new ATOM 0 HG23 THR A 60 -1.188 -4.233 -8.487 1.00 12.45 H new ATOM 851 N GLY A 61 0.549 -6.925 -6.021 1.00 11.14 N ATOM 852 CA GLY A 61 1.973 -7.198 -6.201 1.00 35.33 C ATOM 853 C GLY A 61 2.223 -8.694 -6.067 1.00 75.23 C ATOM 854 O GLY A 61 1.263 -9.445 -5.982 1.00 61.42 O ATOM 0 H GLY A 61 0.011 -7.736 -5.716 1.00 11.14 H new ATOM 0 HA2 GLY A 61 2.300 -6.850 -7.181 1.00 35.33 H new ATOM 0 HA3 GLY A 61 2.556 -6.653 -5.458 1.00 35.33 H new ATOM 858 N THR A 62 3.493 -9.133 -6.111 1.00 41.23 N ATOM 859 CA THR A 62 3.769 -10.551 -6.350 1.00 21.24 C ATOM 860 C THR A 62 5.014 -10.994 -5.569 1.00 44.40 C ATOM 861 O THR A 62 6.023 -10.282 -5.562 1.00 40.30 O ATOM 862 CB THR A 62 3.891 -10.869 -7.865 1.00 64.32 C ATOM 863 OG1 THR A 62 2.896 -10.218 -8.644 1.00 34.34 O ATOM 864 CG2 THR A 62 3.810 -12.364 -8.172 1.00 3.24 C ATOM 0 H THR A 62 4.317 -8.545 -5.988 1.00 41.23 H new ATOM 0 HA THR A 62 2.920 -11.127 -5.982 1.00 21.24 H new ATOM 0 HB THR A 62 4.879 -10.494 -8.134 1.00 64.32 H new ATOM 0 HG1 THR A 62 3.017 -10.449 -9.589 1.00 34.34 H new ATOM 0 HG21 THR A 62 3.902 -12.520 -9.247 1.00 3.24 H new ATOM 0 HG22 THR A 62 4.619 -12.885 -7.659 1.00 3.24 H new ATOM 0 HG23 THR A 62 2.852 -12.754 -7.829 1.00 3.24 H new ATOM 872 N THR A 63 4.940 -12.137 -4.904 1.00 44.20 N ATOM 873 CA THR A 63 5.975 -12.692 -4.047 1.00 41.43 C ATOM 874 C THR A 63 7.120 -13.277 -4.871 1.00 40.30 C ATOM 875 O THR A 63 7.058 -13.364 -6.103 1.00 23.55 O ATOM 876 CB THR A 63 5.365 -13.735 -3.094 1.00 14.01 C ATOM 877 OG1 THR A 63 5.101 -14.947 -3.761 1.00 13.05 O ATOM 878 CG2 THR A 63 4.067 -13.248 -2.447 1.00 64.50 C ATOM 0 H THR A 63 4.113 -12.733 -4.951 1.00 44.20 H new ATOM 0 HA THR A 63 6.399 -11.889 -3.444 1.00 41.43 H new ATOM 0 HB THR A 63 6.110 -13.893 -2.314 1.00 14.01 H new ATOM 0 HG1 THR A 63 4.776 -15.611 -3.117 1.00 13.05 H new ATOM 0 HG21 THR A 63 3.678 -14.021 -1.784 1.00 64.50 H new ATOM 0 HG22 THR A 63 4.264 -12.343 -1.872 1.00 64.50 H new ATOM 0 HG23 THR A 63 3.332 -13.032 -3.223 1.00 64.50 H new ATOM 886 N GLN A 64 8.169 -13.700 -4.174 1.00 52.30 N ATOM 887 CA GLN A 64 9.345 -14.375 -4.688 1.00 21.32 C ATOM 888 C GLN A 64 8.917 -15.703 -5.336 1.00 63.51 C ATOM 889 O GLN A 64 9.397 -16.030 -6.420 1.00 40.21 O ATOM 890 CB GLN A 64 10.302 -14.581 -3.501 1.00 40.33 C ATOM 891 CG GLN A 64 11.645 -15.230 -3.866 1.00 71.42 C ATOM 892 CD GLN A 64 12.572 -15.211 -2.652 1.00 33.11 C ATOM 893 OE1 GLN A 64 12.551 -16.078 -1.787 1.00 22.25 O ATOM 894 NE2 GLN A 64 13.345 -14.157 -2.491 1.00 4.43 N ATOM 0 H GLN A 64 8.219 -13.569 -3.164 1.00 52.30 H new ATOM 0 HA GLN A 64 9.855 -13.795 -5.457 1.00 21.32 H new ATOM 0 HB2 GLN A 64 10.495 -13.615 -3.036 1.00 40.33 H new ATOM 0 HB3 GLN A 64 9.805 -15.201 -2.754 1.00 40.33 H new ATOM 0 HG2 GLN A 64 11.486 -16.256 -4.198 1.00 71.42 H new ATOM 0 HG3 GLN A 64 12.105 -14.694 -4.696 1.00 71.42 H new ATOM 0 HE21 GLN A 64 13.370 -13.429 -3.205 1.00 4.43 H new ATOM 0 HE22 GLN A 64 13.919 -14.069 -1.652 1.00 4.43 H new ATOM 901 N SER A 65 7.968 -16.404 -4.696 1.00 73.12 N ATOM 902 CA SER A 65 7.298 -17.601 -5.197 1.00 31.43 C ATOM 903 C SER A 65 6.460 -17.335 -6.448 1.00 11.13 C ATOM 904 O SER A 65 6.124 -18.270 -7.171 1.00 73.44 O ATOM 905 CB SER A 65 6.367 -18.152 -4.108 1.00 51.40 C ATOM 906 OG SER A 65 7.004 -19.158 -3.354 1.00 21.55 O ATOM 0 H SER A 65 7.635 -16.133 -3.771 1.00 73.12 H new ATOM 0 HA SER A 65 8.079 -18.314 -5.460 1.00 31.43 H new ATOM 0 HB2 SER A 65 6.055 -17.342 -3.449 1.00 51.40 H new ATOM 0 HB3 SER A 65 5.464 -18.555 -4.567 1.00 51.40 H new ATOM 0 HG SER A 65 6.390 -19.490 -2.667 1.00 21.55 H new ATOM 911 N GLY A 66 6.116 -16.074 -6.714 1.00 13.32 N ATOM 912 CA GLY A 66 5.250 -15.729 -7.817 1.00 51.22 C ATOM 913 C GLY A 66 3.774 -15.765 -7.438 1.00 14.02 C ATOM 914 O GLY A 66 2.948 -15.915 -8.336 1.00 13.03 O ATOM 0 H GLY A 66 6.434 -15.274 -6.167 1.00 13.32 H new ATOM 0 HA2 GLY A 66 5.505 -14.732 -8.176 1.00 51.22 H new ATOM 0 HA3 GLY A 66 5.426 -16.419 -8.642 1.00 51.22 H new ATOM 918 N GLU A 67 3.403 -15.631 -6.162 1.00 41.30 N ATOM 919 CA GLU A 67 2.006 -15.542 -5.754 1.00 35.42 C ATOM 920 C GLU A 67 1.619 -14.077 -5.814 1.00 55.32 C ATOM 921 O GLU A 67 2.466 -13.235 -5.539 1.00 1.23 O ATOM 922 CB GLU A 67 1.865 -16.045 -4.317 1.00 1.14 C ATOM 923 CG GLU A 67 1.853 -17.566 -4.233 1.00 55.32 C ATOM 924 CD GLU A 67 2.591 -18.078 -2.995 1.00 35.41 C ATOM 925 OE1 GLU A 67 2.387 -17.540 -1.880 1.00 54.41 O ATOM 926 OE2 GLU A 67 3.437 -18.979 -3.141 1.00 3.32 O ATOM 0 H GLU A 67 4.064 -15.582 -5.387 1.00 41.30 H new ATOM 0 HA GLU A 67 1.368 -16.144 -6.402 1.00 35.42 H new ATOM 0 HB2 GLU A 67 2.688 -15.657 -3.717 1.00 1.14 H new ATOM 0 HB3 GLU A 67 0.944 -15.653 -3.886 1.00 1.14 H new ATOM 0 HG2 GLU A 67 0.822 -17.920 -4.213 1.00 55.32 H new ATOM 0 HG3 GLU A 67 2.315 -17.982 -5.128 1.00 55.32 H new ATOM 931 N LYS A 68 0.384 -13.750 -6.193 1.00 75.53 N ATOM 932 CA LYS A 68 -0.072 -12.377 -6.296 1.00 2.31 C ATOM 933 C LYS A 68 -1.012 -12.048 -5.155 1.00 44.10 C ATOM 934 O LYS A 68 -2.116 -12.589 -5.067 1.00 53.23 O ATOM 935 CB LYS A 68 -0.744 -12.166 -7.638 1.00 63.32 C ATOM 936 CG LYS A 68 -1.490 -10.833 -7.700 1.00 60.41 C ATOM 937 CD LYS A 68 -1.659 -10.420 -9.155 1.00 63.32 C ATOM 938 CE LYS A 68 -0.515 -9.482 -9.550 1.00 24.34 C ATOM 939 NZ LYS A 68 -0.671 -8.956 -10.917 1.00 24.22 N ATOM 0 H LYS A 68 -0.327 -14.439 -6.437 1.00 75.53 H new ATOM 0 HA LYS A 68 0.783 -11.704 -6.226 1.00 2.31 H new ATOM 0 HB2 LYS A 68 0.006 -12.199 -8.428 1.00 63.32 H new ATOM 0 HB3 LYS A 68 -1.442 -12.982 -7.826 1.00 63.32 H new ATOM 0 HG2 LYS A 68 -2.464 -10.926 -7.220 1.00 60.41 H new ATOM 0 HG3 LYS A 68 -0.938 -10.068 -7.154 1.00 60.41 H new ATOM 0 HD2 LYS A 68 -1.661 -11.301 -9.797 1.00 63.32 H new ATOM 0 HD3 LYS A 68 -2.618 -9.922 -9.295 1.00 63.32 H new ATOM 0 HE2 LYS A 68 -0.470 -8.651 -8.846 1.00 24.34 H new ATOM 0 HE3 LYS A 68 0.432 -10.016 -9.474 1.00 24.34 H new ATOM 0 HZ1 LYS A 68 0.126 -8.326 -11.140 1.00 24.22 H new ATOM 0 HZ2 LYS A 68 -0.688 -9.746 -11.593 1.00 24.22 H new ATOM 0 HZ3 LYS A 68 -1.562 -8.424 -10.985 1.00 24.22 H new ATOM 949 N PHE A 69 -0.582 -11.094 -4.355 1.00 34.52 N ATOM 950 CA PHE A 69 -1.295 -10.530 -3.242 1.00 44.23 C ATOM 951 C PHE A 69 -2.088 -9.353 -3.804 1.00 33.55 C ATOM 952 O PHE A 69 -1.582 -8.633 -4.672 1.00 63.23 O ATOM 953 CB PHE A 69 -0.245 -10.152 -2.178 1.00 33.21 C ATOM 954 CG PHE A 69 0.909 -9.219 -2.560 1.00 52.21 C ATOM 955 CD1 PHE A 69 0.633 -7.854 -2.753 1.00 34.45 C ATOM 956 CD2 PHE A 69 2.260 -9.665 -2.618 1.00 24.41 C ATOM 957 CE1 PHE A 69 1.671 -6.934 -2.945 1.00 41.20 C ATOM 958 CE2 PHE A 69 3.310 -8.712 -2.719 1.00 12.33 C ATOM 959 CZ PHE A 69 3.006 -7.349 -2.873 1.00 61.43 C ATOM 0 H PHE A 69 0.337 -10.668 -4.479 1.00 34.52 H new ATOM 0 HA PHE A 69 -2.003 -11.201 -2.755 1.00 44.23 H new ATOM 0 HB2 PHE A 69 -0.775 -9.692 -1.344 1.00 33.21 H new ATOM 0 HB3 PHE A 69 0.192 -11.079 -1.806 1.00 33.21 H new ATOM 0 HD1 PHE A 69 -0.391 -7.511 -2.753 1.00 34.45 H new ATOM 0 HD2 PHE A 69 2.486 -10.721 -2.585 1.00 24.41 H new ATOM 0 HE1 PHE A 69 1.440 -5.899 -3.150 1.00 41.20 H new ATOM 0 HE2 PHE A 69 4.340 -9.035 -2.677 1.00 12.33 H new ATOM 0 HZ PHE A 69 3.802 -6.622 -2.936 1.00 61.43 H new ATOM 968 N THR A 70 -3.308 -9.118 -3.326 1.00 33.22 N ATOM 969 CA THR A 70 -4.060 -7.909 -3.668 1.00 24.24 C ATOM 970 C THR A 70 -4.799 -7.348 -2.464 1.00 15.13 C ATOM 971 O THR A 70 -5.271 -8.089 -1.609 1.00 63.10 O ATOM 972 CB THR A 70 -5.057 -8.124 -4.812 1.00 32.22 C ATOM 973 OG1 THR A 70 -5.944 -9.201 -4.539 1.00 4.22 O ATOM 974 CG2 THR A 70 -4.393 -8.426 -6.149 1.00 23.34 C ATOM 0 H THR A 70 -3.801 -9.752 -2.697 1.00 33.22 H new ATOM 0 HA THR A 70 -3.311 -7.192 -4.004 1.00 24.24 H new ATOM 0 HB THR A 70 -5.594 -7.178 -4.882 1.00 32.22 H new ATOM 0 HG1 THR A 70 -6.567 -9.309 -5.288 1.00 4.22 H new ATOM 0 HG21 THR A 70 -5.159 -8.567 -6.912 1.00 23.34 H new ATOM 0 HG22 THR A 70 -3.748 -7.594 -6.431 1.00 23.34 H new ATOM 0 HG23 THR A 70 -3.796 -9.334 -6.062 1.00 23.34 H new ATOM 982 N GLY A 71 -4.938 -6.027 -2.437 1.00 11.41 N ATOM 983 CA GLY A 71 -5.635 -5.322 -1.375 1.00 44.01 C ATOM 984 C GLY A 71 -7.099 -5.113 -1.704 1.00 64.23 C ATOM 985 O GLY A 71 -7.950 -5.933 -1.364 1.00 72.21 O ATOM 0 H GLY A 71 -4.565 -5.412 -3.160 1.00 11.41 H new ATOM 0 HA2 GLY A 71 -5.548 -5.886 -0.446 1.00 44.01 H new ATOM 0 HA3 GLY A 71 -5.159 -4.356 -1.207 1.00 44.01 H new ATOM 989 N HIS A 72 -7.350 -4.015 -2.417 1.00 4.35 N ATOM 990 CA HIS A 72 -8.652 -3.442 -2.731 1.00 20.23 C ATOM 991 C HIS A 72 -9.332 -2.911 -1.460 1.00 63.53 C ATOM 992 O HIS A 72 -9.806 -3.694 -0.636 1.00 3.11 O ATOM 993 CB HIS A 72 -9.541 -4.419 -3.508 1.00 11.33 C ATOM 994 CG HIS A 72 -8.861 -5.073 -4.675 1.00 72.34 C ATOM 995 ND1 HIS A 72 -8.700 -4.525 -5.925 1.00 62.30 N ATOM 996 CD2 HIS A 72 -8.288 -6.312 -4.675 1.00 14.04 C ATOM 997 CE1 HIS A 72 -8.062 -5.436 -6.679 1.00 33.52 C ATOM 998 NE2 HIS A 72 -7.807 -6.543 -5.962 1.00 11.41 N ATOM 0 H HIS A 72 -6.590 -3.465 -2.818 1.00 4.35 H new ATOM 0 HA HIS A 72 -8.492 -2.593 -3.395 1.00 20.23 H new ATOM 0 HB2 HIS A 72 -9.893 -5.193 -2.826 1.00 11.33 H new ATOM 0 HB3 HIS A 72 -10.421 -3.885 -3.867 1.00 11.33 H new ATOM 0 HD1 HIS A 72 -9.007 -3.600 -6.224 1.00 62.30 H new ATOM 0 HD2 HIS A 72 -8.220 -6.987 -3.835 1.00 14.04 H new ATOM 0 HE1 HIS A 72 -7.792 -5.298 -7.716 1.00 33.52 H new ATOM 1005 N PHE A 73 -9.362 -1.591 -1.275 1.00 42.02 N ATOM 1006 CA PHE A 73 -9.870 -0.926 -0.079 1.00 11.12 C ATOM 1007 C PHE A 73 -10.655 0.320 -0.466 1.00 20.15 C ATOM 1008 O PHE A 73 -10.334 0.966 -1.471 1.00 75.54 O ATOM 1009 CB PHE A 73 -8.700 -0.482 0.808 1.00 74.32 C ATOM 1010 CG PHE A 73 -7.775 -1.590 1.250 1.00 63.31 C ATOM 1011 CD1 PHE A 73 -8.133 -2.389 2.351 1.00 2.05 C ATOM 1012 CD2 PHE A 73 -6.555 -1.810 0.580 1.00 1.04 C ATOM 1013 CE1 PHE A 73 -7.246 -3.375 2.813 1.00 53.04 C ATOM 1014 CE2 PHE A 73 -5.685 -2.817 1.030 1.00 52.30 C ATOM 1015 CZ PHE A 73 -6.029 -3.576 2.154 1.00 43.03 C ATOM 0 H PHE A 73 -9.022 -0.935 -1.978 1.00 42.02 H new ATOM 0 HA PHE A 73 -10.511 -1.628 0.454 1.00 11.12 H new ATOM 0 HB2 PHE A 73 -8.117 0.263 0.267 1.00 74.32 H new ATOM 0 HB3 PHE A 73 -9.102 0.010 1.694 1.00 74.32 H new ATOM 0 HD1 PHE A 73 -9.086 -2.245 2.839 1.00 2.05 H new ATOM 0 HD2 PHE A 73 -6.290 -1.207 -0.276 1.00 1.04 H new ATOM 0 HE1 PHE A 73 -7.503 -3.975 3.673 1.00 53.04 H new ATOM 0 HE2 PHE A 73 -4.756 -3.004 0.512 1.00 52.30 H new ATOM 0 HZ PHE A 73 -5.345 -4.328 2.518 1.00 43.03 H new ATOM 1024 N LYS A 74 -11.609 0.710 0.381 1.00 54.40 N ATOM 1025 CA LYS A 74 -12.455 1.898 0.238 1.00 15.21 C ATOM 1026 C LYS A 74 -12.686 2.516 1.618 1.00 14.12 C ATOM 1027 O LYS A 74 -12.254 1.946 2.622 1.00 22.25 O ATOM 1028 CB LYS A 74 -13.804 1.509 -0.387 1.00 0.11 C ATOM 1029 CG LYS A 74 -13.677 0.914 -1.795 1.00 63.12 C ATOM 1030 CD LYS A 74 -15.031 0.858 -2.509 1.00 1.35 C ATOM 1031 CE LYS A 74 -16.070 0.056 -1.722 1.00 3.03 C ATOM 1032 NZ LYS A 74 -17.349 0.004 -2.444 1.00 22.32 N ATOM 0 H LYS A 74 -11.824 0.181 1.226 1.00 54.40 H new ATOM 0 HA LYS A 74 -11.961 2.620 -0.411 1.00 15.21 H new ATOM 0 HB2 LYS A 74 -14.301 0.787 0.261 1.00 0.11 H new ATOM 0 HB3 LYS A 74 -14.443 2.391 -0.430 1.00 0.11 H new ATOM 0 HG2 LYS A 74 -12.980 1.513 -2.382 1.00 63.12 H new ATOM 0 HG3 LYS A 74 -13.258 -0.090 -1.730 1.00 63.12 H new ATOM 0 HD2 LYS A 74 -15.400 1.872 -2.664 1.00 1.35 H new ATOM 0 HD3 LYS A 74 -14.901 0.411 -3.495 1.00 1.35 H new ATOM 0 HE2 LYS A 74 -15.702 -0.956 -1.553 1.00 3.03 H new ATOM 0 HE3 LYS A 74 -16.219 0.509 -0.742 1.00 3.03 H new ATOM 0 HZ1 LYS A 74 -18.038 -0.545 -1.891 1.00 22.32 H new ATOM 0 HZ2 LYS A 74 -17.708 0.970 -2.584 1.00 22.32 H new ATOM 0 HZ3 LYS A 74 -17.207 -0.450 -3.369 1.00 22.32 H new ATOM 1042 N GLY A 75 -13.405 3.641 1.673 1.00 34.32 N ATOM 1043 CA GLY A 75 -13.805 4.281 2.922 1.00 11.31 C ATOM 1044 C GLY A 75 -12.602 4.747 3.731 1.00 40.14 C ATOM 1045 O GLY A 75 -12.613 4.670 4.961 1.00 42.21 O ATOM 0 H GLY A 75 -13.727 4.135 0.841 1.00 34.32 H new ATOM 0 HA2 GLY A 75 -14.448 5.134 2.704 1.00 11.31 H new ATOM 0 HA3 GLY A 75 -14.393 3.582 3.516 1.00 11.31 H new ATOM 1049 N LEU A 76 -11.540 5.173 3.050 1.00 43.50 N ATOM 1050 CA LEU A 76 -10.345 5.662 3.712 1.00 54.43 C ATOM 1051 C LEU A 76 -10.549 7.123 4.090 1.00 23.04 C ATOM 1052 O LEU A 76 -11.374 7.822 3.498 1.00 35.04 O ATOM 1053 CB LEU A 76 -9.123 5.521 2.801 1.00 31.04 C ATOM 1054 CG LEU A 76 -8.838 4.091 2.307 1.00 20.33 C ATOM 1055 CD1 LEU A 76 -7.587 4.105 1.424 1.00 15.32 C ATOM 1056 CD2 LEU A 76 -8.641 3.084 3.446 1.00 33.45 C ATOM 0 H LEU A 76 -11.489 5.187 2.031 1.00 43.50 H new ATOM 0 HA LEU A 76 -10.167 5.069 4.609 1.00 54.43 H new ATOM 0 HB2 LEU A 76 -9.259 6.168 1.934 1.00 31.04 H new ATOM 0 HB3 LEU A 76 -8.246 5.885 3.336 1.00 31.04 H new ATOM 0 HG LEU A 76 -9.714 3.767 1.745 1.00 20.33 H new ATOM 0 HD11 LEU A 76 -7.380 3.095 1.071 1.00 15.32 H new ATOM 0 HD12 LEU A 76 -7.752 4.761 0.570 1.00 15.32 H new ATOM 0 HD13 LEU A 76 -6.738 4.469 2.002 1.00 15.32 H new ATOM 0 HD21 LEU A 76 -8.444 2.097 3.029 1.00 33.45 H new ATOM 0 HD22 LEU A 76 -7.797 3.392 4.062 1.00 33.45 H new ATOM 0 HD23 LEU A 76 -9.542 3.046 4.058 1.00 33.45 H new ATOM 1067 N VAL A 77 -9.762 7.572 5.055 1.00 63.23 N ATOM 1068 CA VAL A 77 -9.739 8.915 5.611 1.00 2.12 C ATOM 1069 C VAL A 77 -8.291 9.252 5.979 1.00 1.35 C ATOM 1070 O VAL A 77 -7.448 8.353 6.111 1.00 13.33 O ATOM 1071 CB VAL A 77 -10.673 9.014 6.840 1.00 4.22 C ATOM 1072 CG1 VAL A 77 -12.147 9.028 6.425 1.00 11.32 C ATOM 1073 CG2 VAL A 77 -10.464 7.879 7.859 1.00 54.20 C ATOM 0 H VAL A 77 -9.075 6.965 5.501 1.00 63.23 H new ATOM 0 HA VAL A 77 -10.105 9.634 4.878 1.00 2.12 H new ATOM 0 HB VAL A 77 -10.408 9.956 7.320 1.00 4.22 H new ATOM 0 HG11 VAL A 77 -12.774 9.098 7.313 1.00 11.32 H new ATOM 0 HG12 VAL A 77 -12.335 9.886 5.779 1.00 11.32 H new ATOM 0 HG13 VAL A 77 -12.382 8.110 5.886 1.00 11.32 H new ATOM 0 HG21 VAL A 77 -11.151 8.010 8.695 1.00 54.20 H new ATOM 0 HG22 VAL A 77 -10.655 6.919 7.379 1.00 54.20 H new ATOM 0 HG23 VAL A 77 -9.438 7.903 8.225 1.00 54.20 H new ATOM 1083 N GLY A 78 -8.019 10.537 6.190 1.00 14.53 N ATOM 1084 CA GLY A 78 -6.748 11.037 6.680 1.00 43.20 C ATOM 1085 C GLY A 78 -5.777 11.308 5.538 1.00 12.12 C ATOM 1086 O GLY A 78 -5.854 10.695 4.468 1.00 0.13 O ATOM 0 H GLY A 78 -8.700 11.277 6.018 1.00 14.53 H new ATOM 0 HA2 GLY A 78 -6.911 11.954 7.246 1.00 43.20 H new ATOM 0 HA3 GLY A 78 -6.311 10.312 7.366 1.00 43.20 H new ATOM 1090 N LYS A 79 -4.848 12.241 5.750 1.00 72.12 N ATOM 1091 CA LYS A 79 -4.022 12.793 4.674 1.00 61.10 C ATOM 1092 C LYS A 79 -2.817 11.916 4.314 1.00 55.52 C ATOM 1093 O LYS A 79 -2.000 12.283 3.464 1.00 0.51 O ATOM 1094 CB LYS A 79 -3.600 14.217 5.052 1.00 12.12 C ATOM 1095 CG LYS A 79 -3.571 15.105 3.806 1.00 24.43 C ATOM 1096 CD LYS A 79 -3.046 16.495 4.168 1.00 40.31 C ATOM 1097 CE LYS A 79 -3.527 17.508 3.136 1.00 52.13 C ATOM 1098 NZ LYS A 79 -3.205 18.883 3.546 1.00 72.20 N ATOM 0 H LYS A 79 -4.647 12.635 6.669 1.00 72.12 H new ATOM 0 HA LYS A 79 -4.626 12.817 3.767 1.00 61.10 H new ATOM 0 HB2 LYS A 79 -4.294 14.628 5.785 1.00 12.12 H new ATOM 0 HB3 LYS A 79 -2.616 14.201 5.520 1.00 12.12 H new ATOM 0 HG2 LYS A 79 -2.936 14.655 3.043 1.00 24.43 H new ATOM 0 HG3 LYS A 79 -4.572 15.184 3.382 1.00 24.43 H new ATOM 0 HD2 LYS A 79 -3.394 16.779 5.161 1.00 40.31 H new ATOM 0 HD3 LYS A 79 -1.957 16.486 4.203 1.00 40.31 H new ATOM 0 HE2 LYS A 79 -3.064 17.296 2.172 1.00 52.13 H new ATOM 0 HE3 LYS A 79 -4.604 17.409 3.001 1.00 52.13 H new ATOM 0 HZ1 LYS A 79 -3.545 19.549 2.823 1.00 72.20 H new ATOM 0 HZ2 LYS A 79 -3.667 19.092 4.454 1.00 72.20 H new ATOM 0 HZ3 LYS A 79 -2.175 18.982 3.651 1.00 72.20 H new ATOM 1108 N ASP A 80 -2.682 10.750 4.929 1.00 24.44 N ATOM 1109 CA ASP A 80 -1.698 9.750 4.545 1.00 14.44 C ATOM 1110 C ASP A 80 -2.248 8.351 4.751 1.00 55.10 C ATOM 1111 O ASP A 80 -3.241 8.141 5.454 1.00 24.02 O ATOM 1112 CB ASP A 80 -0.350 9.942 5.254 1.00 2.22 C ATOM 1113 CG ASP A 80 -0.422 10.173 6.769 1.00 60.43 C ATOM 1114 OD1 ASP A 80 -0.845 9.260 7.514 1.00 62.30 O ATOM 1115 OD2 ASP A 80 -0.015 11.282 7.207 1.00 0.52 O ATOM 0 H ASP A 80 -3.261 10.469 5.720 1.00 24.44 H new ATOM 0 HA ASP A 80 -1.499 9.885 3.482 1.00 14.44 H new ATOM 0 HB2 ASP A 80 0.266 9.062 5.068 1.00 2.22 H new ATOM 0 HB3 ASP A 80 0.161 10.791 4.800 1.00 2.22 H new ATOM 1119 N THR A 81 -1.606 7.406 4.074 1.00 75.31 N ATOM 1120 CA THR A 81 -2.101 6.084 3.744 1.00 43.50 C ATOM 1121 C THR A 81 -0.902 5.133 3.784 1.00 40.24 C ATOM 1122 O THR A 81 0.216 5.518 3.418 1.00 4.15 O ATOM 1123 CB THR A 81 -2.703 6.133 2.322 1.00 75.13 C ATOM 1124 OG1 THR A 81 -3.191 7.408 1.927 1.00 61.03 O ATOM 1125 CG2 THR A 81 -3.851 5.141 2.201 1.00 55.24 C ATOM 0 H THR A 81 -0.662 7.558 3.719 1.00 75.31 H new ATOM 0 HA THR A 81 -2.869 5.747 4.440 1.00 43.50 H new ATOM 0 HB THR A 81 -1.873 5.882 1.662 1.00 75.13 H new ATOM 0 HG1 THR A 81 -3.552 7.353 1.018 1.00 61.03 H new ATOM 0 HG21 THR A 81 -4.266 5.186 1.194 1.00 55.24 H new ATOM 0 HG22 THR A 81 -3.484 4.134 2.398 1.00 55.24 H new ATOM 0 HG23 THR A 81 -4.627 5.392 2.925 1.00 55.24 H new ATOM 1133 N ARG A 82 -1.102 3.884 4.213 1.00 14.11 N ATOM 1134 CA ARG A 82 -0.055 2.869 4.227 1.00 23.45 C ATOM 1135 C ARG A 82 -0.598 1.532 3.723 1.00 1.15 C ATOM 1136 O ARG A 82 -1.758 1.461 3.330 1.00 23.43 O ATOM 1137 CB ARG A 82 0.611 2.761 5.614 1.00 32.13 C ATOM 1138 CG ARG A 82 1.107 4.116 6.147 1.00 60.02 C ATOM 1139 CD ARG A 82 1.965 3.957 7.401 1.00 71.13 C ATOM 1140 NE ARG A 82 2.227 5.267 8.011 1.00 62.14 N ATOM 1141 CZ ARG A 82 2.777 5.478 9.206 1.00 13.24 C ATOM 1142 NH1 ARG A 82 3.409 4.487 9.824 1.00 13.55 N ATOM 1143 NH2 ARG A 82 2.690 6.676 9.769 1.00 51.13 N ATOM 0 H ARG A 82 -2.001 3.551 4.561 1.00 14.11 H new ATOM 0 HA ARG A 82 0.733 3.175 3.539 1.00 23.45 H new ATOM 0 HB2 ARG A 82 -0.101 2.337 6.321 1.00 32.13 H new ATOM 0 HB3 ARG A 82 1.452 2.070 5.555 1.00 32.13 H new ATOM 0 HG2 ARG A 82 1.686 4.620 5.373 1.00 60.02 H new ATOM 0 HG3 ARG A 82 0.251 4.753 6.371 1.00 60.02 H new ATOM 0 HD2 ARG A 82 1.458 3.310 8.117 1.00 71.13 H new ATOM 0 HD3 ARG A 82 2.907 3.473 7.146 1.00 71.13 H new ATOM 0 HE ARG A 82 1.964 6.091 7.470 1.00 62.14 H new ATOM 0 HH11 ARG A 82 3.472 3.569 9.384 1.00 13.55 H new ATOM 0 HH12 ARG A 82 3.832 4.644 10.739 1.00 13.55 H new ATOM 0 HH21 ARG A 82 2.203 7.432 9.287 1.00 51.13 H new ATOM 0 HH22 ARG A 82 3.110 6.841 10.684 1.00 51.13 H new ATOM 1154 N VAL A 83 0.234 0.485 3.714 1.00 71.22 N ATOM 1155 CA VAL A 83 -0.084 -0.884 3.304 1.00 21.13 C ATOM 1156 C VAL A 83 0.781 -1.819 4.170 1.00 64.03 C ATOM 1157 O VAL A 83 2.001 -1.798 4.016 1.00 21.21 O ATOM 1158 CB VAL A 83 0.198 -1.039 1.791 1.00 41.42 C ATOM 1159 CG1 VAL A 83 -0.009 -2.470 1.293 1.00 41.11 C ATOM 1160 CG2 VAL A 83 -0.683 -0.138 0.907 1.00 52.50 C ATOM 0 H VAL A 83 1.205 0.578 4.011 1.00 71.22 H new ATOM 0 HA VAL A 83 -1.135 -1.133 3.452 1.00 21.13 H new ATOM 0 HB VAL A 83 1.244 -0.745 1.699 1.00 41.42 H new ATOM 0 HG11 VAL A 83 0.203 -2.518 0.225 1.00 41.11 H new ATOM 0 HG12 VAL A 83 0.663 -3.142 1.827 1.00 41.11 H new ATOM 0 HG13 VAL A 83 -1.041 -2.772 1.472 1.00 41.11 H new ATOM 0 HG21 VAL A 83 -0.431 -0.299 -0.141 1.00 52.50 H new ATOM 0 HG22 VAL A 83 -1.733 -0.383 1.070 1.00 52.50 H new ATOM 0 HG23 VAL A 83 -0.510 0.907 1.166 1.00 52.50 H new ATOM 1170 N PHE A 84 0.188 -2.584 5.098 1.00 74.22 N ATOM 1171 CA PHE A 84 0.860 -3.585 5.942 1.00 22.31 C ATOM 1172 C PHE A 84 0.623 -4.982 5.347 1.00 32.41 C ATOM 1173 O PHE A 84 -0.444 -5.565 5.549 1.00 20.04 O ATOM 1174 CB PHE A 84 0.301 -3.510 7.383 1.00 55.20 C ATOM 1175 CG PHE A 84 0.644 -2.290 8.235 1.00 53.44 C ATOM 1176 CD1 PHE A 84 1.659 -1.389 7.862 1.00 15.12 C ATOM 1177 CD2 PHE A 84 -0.050 -2.069 9.442 1.00 15.43 C ATOM 1178 CE1 PHE A 84 1.953 -0.264 8.655 1.00 43.14 C ATOM 1179 CE2 PHE A 84 0.245 -0.946 10.239 1.00 73.03 C ATOM 1180 CZ PHE A 84 1.242 -0.039 9.845 1.00 11.44 C ATOM 0 H PHE A 84 -0.812 -2.521 5.289 1.00 74.22 H new ATOM 0 HA PHE A 84 1.931 -3.386 5.974 1.00 22.31 H new ATOM 0 HB2 PHE A 84 -0.785 -3.576 7.321 1.00 55.20 H new ATOM 0 HB3 PHE A 84 0.644 -4.395 7.918 1.00 55.20 H new ATOM 0 HD1 PHE A 84 2.220 -1.563 6.955 1.00 15.12 H new ATOM 0 HD2 PHE A 84 -0.813 -2.765 9.758 1.00 15.43 H new ATOM 0 HE1 PHE A 84 2.725 0.426 8.348 1.00 43.14 H new ATOM 0 HE2 PHE A 84 -0.298 -0.782 11.158 1.00 73.03 H new ATOM 0 HZ PHE A 84 1.461 0.826 10.453 1.00 11.44 H new ATOM 1189 N ILE A 85 1.507 -5.486 4.484 1.00 51.24 N ATOM 1190 CA ILE A 85 1.346 -6.825 3.890 1.00 21.33 C ATOM 1191 C ILE A 85 1.742 -7.820 4.970 1.00 54.02 C ATOM 1192 O ILE A 85 2.808 -7.650 5.553 1.00 35.11 O ATOM 1193 CB ILE A 85 2.237 -7.047 2.649 1.00 73.43 C ATOM 1194 CG1 ILE A 85 2.114 -5.871 1.669 1.00 14.25 C ATOM 1195 CG2 ILE A 85 1.876 -8.365 1.929 1.00 21.31 C ATOM 1196 CD1 ILE A 85 2.953 -6.074 0.410 1.00 44.23 C ATOM 0 H ILE A 85 2.344 -4.991 4.177 1.00 51.24 H new ATOM 0 HA ILE A 85 0.316 -6.945 3.554 1.00 21.33 H new ATOM 0 HB ILE A 85 3.268 -7.112 2.997 1.00 73.43 H new ATOM 0 HG12 ILE A 85 1.068 -5.742 1.389 1.00 14.25 H new ATOM 0 HG13 ILE A 85 2.426 -4.953 2.166 1.00 14.25 H new ATOM 0 HG21 ILE A 85 2.521 -8.493 1.059 1.00 21.31 H new ATOM 0 HG22 ILE A 85 2.017 -9.203 2.612 1.00 21.31 H new ATOM 0 HG23 ILE A 85 0.835 -8.330 1.607 1.00 21.31 H new ATOM 0 HD11 ILE A 85 2.832 -5.215 -0.250 1.00 44.23 H new ATOM 0 HD12 ILE A 85 4.003 -6.175 0.685 1.00 44.23 H new ATOM 0 HD13 ILE A 85 2.624 -6.977 -0.105 1.00 44.23 H new ATOM 1207 N GLU A 86 0.942 -8.853 5.201 1.00 74.20 N ATOM 1208 CA GLU A 86 1.235 -9.900 6.162 1.00 34.15 C ATOM 1209 C GLU A 86 0.617 -11.208 5.661 1.00 61.13 C ATOM 1210 O GLU A 86 0.022 -11.241 4.581 1.00 61.34 O ATOM 1211 CB GLU A 86 0.804 -9.468 7.579 1.00 11.22 C ATOM 1212 CG GLU A 86 -0.610 -8.879 7.769 1.00 75.24 C ATOM 1213 CD GLU A 86 -0.854 -8.454 9.230 1.00 0.11 C ATOM 1214 OE1 GLU A 86 0.105 -8.384 10.034 1.00 71.13 O ATOM 1215 OE2 GLU A 86 -2.020 -8.199 9.611 1.00 0.44 O ATOM 0 H GLU A 86 0.055 -8.986 4.715 1.00 74.20 H new ATOM 0 HA GLU A 86 2.307 -10.078 6.248 1.00 34.15 H new ATOM 0 HB2 GLU A 86 0.892 -10.336 8.232 1.00 11.22 H new ATOM 0 HB3 GLU A 86 1.522 -8.728 7.933 1.00 11.22 H new ATOM 0 HG2 GLU A 86 -0.738 -8.018 7.113 1.00 75.24 H new ATOM 0 HG3 GLU A 86 -1.355 -9.618 7.475 1.00 75.24 H new ATOM 1220 N LEU A 87 0.823 -12.309 6.388 1.00 42.43 N ATOM 1221 CA LEU A 87 0.230 -13.600 6.046 1.00 41.22 C ATOM 1222 C LEU A 87 -0.832 -13.895 7.088 1.00 73.53 C ATOM 1223 O LEU A 87 -0.663 -13.525 8.250 1.00 33.14 O ATOM 1224 CB LEU A 87 1.242 -14.761 6.029 1.00 11.01 C ATOM 1225 CG LEU A 87 2.639 -14.448 5.472 1.00 52.04 C ATOM 1226 CD1 LEU A 87 3.578 -15.637 5.682 1.00 62.11 C ATOM 1227 CD2 LEU A 87 2.562 -14.117 3.981 1.00 24.33 C ATOM 0 H LEU A 87 1.403 -12.329 7.227 1.00 42.43 H new ATOM 0 HA LEU A 87 -0.173 -13.528 5.036 1.00 41.22 H new ATOM 0 HB2 LEU A 87 1.356 -15.128 7.049 1.00 11.01 H new ATOM 0 HB3 LEU A 87 0.816 -15.575 5.443 1.00 11.01 H new ATOM 0 HG LEU A 87 3.030 -13.584 6.009 1.00 52.04 H new ATOM 0 HD11 LEU A 87 4.563 -15.398 5.281 1.00 62.11 H new ATOM 0 HD12 LEU A 87 3.662 -15.851 6.748 1.00 62.11 H new ATOM 0 HD13 LEU A 87 3.179 -16.511 5.167 1.00 62.11 H new ATOM 0 HD21 LEU A 87 3.561 -13.898 3.605 1.00 24.33 H new ATOM 0 HD22 LEU A 87 2.149 -14.968 3.440 1.00 24.33 H new ATOM 0 HD23 LEU A 87 1.921 -13.248 3.834 1.00 24.33 H new ATOM 1238 N ASP A 88 -1.873 -14.611 6.685 1.00 44.32 N ATOM 1239 CA ASP A 88 -2.940 -15.055 7.575 1.00 73.50 C ATOM 1240 C ASP A 88 -3.567 -16.326 6.985 1.00 44.02 C ATOM 1241 O ASP A 88 -3.043 -16.876 6.013 1.00 4.13 O ATOM 1242 CB ASP A 88 -3.969 -13.923 7.776 1.00 33.12 C ATOM 1243 CG ASP A 88 -4.611 -13.961 9.164 1.00 44.44 C ATOM 1244 OD1 ASP A 88 -4.846 -15.063 9.700 1.00 53.01 O ATOM 1245 OD2 ASP A 88 -4.868 -12.873 9.731 1.00 73.43 O ATOM 0 H ASP A 88 -2.003 -14.905 5.717 1.00 44.32 H new ATOM 0 HA ASP A 88 -2.547 -15.295 8.563 1.00 73.50 H new ATOM 0 HB2 ASP A 88 -3.479 -12.960 7.631 1.00 33.12 H new ATOM 0 HB3 ASP A 88 -4.747 -14.003 7.016 1.00 33.12 H new ATOM 1249 N GLU A 89 -4.666 -16.810 7.561 1.00 74.12 N ATOM 1250 CA GLU A 89 -5.538 -17.899 7.113 1.00 51.12 C ATOM 1251 C GLU A 89 -4.828 -19.253 7.144 1.00 4.41 C ATOM 1252 O GLU A 89 -5.115 -20.094 7.997 1.00 43.30 O ATOM 1253 CB GLU A 89 -6.165 -17.585 5.736 1.00 44.24 C ATOM 1254 CG GLU A 89 -6.957 -16.269 5.681 1.00 22.55 C ATOM 1255 CD GLU A 89 -8.042 -16.220 6.759 1.00 51.21 C ATOM 1256 OE1 GLU A 89 -9.015 -17.001 6.669 1.00 21.21 O ATOM 1257 OE2 GLU A 89 -7.901 -15.447 7.733 1.00 13.14 O ATOM 0 H GLU A 89 -5.002 -16.412 8.438 1.00 74.12 H new ATOM 0 HA GLU A 89 -6.361 -17.976 7.824 1.00 51.12 H new ATOM 0 HB2 GLU A 89 -5.371 -17.548 4.990 1.00 44.24 H new ATOM 0 HB3 GLU A 89 -6.827 -18.405 5.457 1.00 44.24 H new ATOM 0 HG2 GLU A 89 -6.276 -15.428 5.811 1.00 22.55 H new ATOM 0 HG3 GLU A 89 -7.415 -16.160 4.698 1.00 22.55 H new ATOM 1262 N ASN A 90 -3.878 -19.475 6.241 1.00 61.14 N ATOM 1263 CA ASN A 90 -3.046 -20.671 6.108 1.00 32.24 C ATOM 1264 C ASN A 90 -1.580 -20.299 5.846 1.00 0.31 C ATOM 1265 O ASN A 90 -0.797 -21.179 5.460 1.00 35.41 O ATOM 1266 CB ASN A 90 -3.629 -21.596 5.024 1.00 53.11 C ATOM 1267 CG ASN A 90 -3.660 -20.932 3.655 1.00 12.34 C ATOM 1268 OD1 ASN A 90 -2.651 -20.844 2.974 1.00 41.13 O ATOM 1269 ND2 ASN A 90 -4.807 -20.429 3.231 1.00 22.53 N ATOM 0 H ASN A 90 -3.652 -18.777 5.533 1.00 61.14 H new ATOM 0 HA ASN A 90 -3.055 -21.222 7.049 1.00 32.24 H new ATOM 0 HB2 ASN A 90 -3.035 -22.508 4.970 1.00 53.11 H new ATOM 0 HB3 ASN A 90 -4.640 -21.890 5.306 1.00 53.11 H new ATOM 0 HD21 ASN A 90 -4.855 -19.961 2.326 1.00 22.53 H new ATOM 0 HD22 ASN A 90 -5.644 -20.509 3.809 1.00 22.53 H new ATOM 1275 N ALA A 91 -1.194 -19.046 6.099 1.00 22.35 N ATOM 1276 CA ALA A 91 0.007 -18.347 5.633 1.00 12.02 C ATOM 1277 C ALA A 91 -0.104 -17.957 4.152 1.00 52.22 C ATOM 1278 O ALA A 91 0.882 -17.864 3.433 1.00 31.43 O ATOM 1279 CB ALA A 91 1.303 -19.098 5.961 1.00 51.41 C ATOM 0 H ALA A 91 -1.765 -18.440 6.688 1.00 22.35 H new ATOM 0 HA ALA A 91 0.068 -17.417 6.198 1.00 12.02 H new ATOM 0 HB1 ALA A 91 2.156 -18.530 5.591 1.00 51.41 H new ATOM 0 HB2 ALA A 91 1.389 -19.220 7.041 1.00 51.41 H new ATOM 0 HB3 ALA A 91 1.286 -20.079 5.485 1.00 51.41 H new ATOM 1285 N ASP A 92 -1.349 -17.698 3.728 1.00 61.41 N ATOM 1286 CA ASP A 92 -1.688 -17.104 2.449 1.00 62.23 C ATOM 1287 C ASP A 92 -1.588 -15.619 2.591 1.00 44.20 C ATOM 1288 O ASP A 92 -1.737 -15.080 3.696 1.00 55.12 O ATOM 1289 CB ASP A 92 -3.135 -17.402 2.118 1.00 44.22 C ATOM 1290 CG ASP A 92 -3.627 -16.968 0.734 1.00 21.22 C ATOM 1291 OD1 ASP A 92 -4.082 -15.809 0.578 1.00 32.13 O ATOM 1292 OD2 ASP A 92 -3.685 -17.816 -0.179 1.00 55.30 O ATOM 0 H ASP A 92 -2.170 -17.908 4.295 1.00 61.41 H new ATOM 0 HA ASP A 92 -1.023 -17.497 1.680 1.00 62.23 H new ATOM 0 HB2 ASP A 92 -3.292 -18.476 2.213 1.00 44.22 H new ATOM 0 HB3 ASP A 92 -3.762 -16.921 2.869 1.00 44.22 H new ATOM 1296 N VAL A 93 -1.377 -14.950 1.469 1.00 1.03 N ATOM 1297 CA VAL A 93 -0.933 -13.590 1.567 1.00 52.22 C ATOM 1298 C VAL A 93 -2.125 -12.631 1.610 1.00 15.31 C ATOM 1299 O VAL A 93 -2.880 -12.530 0.636 1.00 3.23 O ATOM 1300 CB VAL A 93 0.074 -13.252 0.461 1.00 42.43 C ATOM 1301 CG1 VAL A 93 0.762 -11.921 0.785 1.00 23.14 C ATOM 1302 CG2 VAL A 93 1.132 -14.362 0.282 1.00 62.50 C ATOM 0 H VAL A 93 -1.502 -15.315 0.525 1.00 1.03 H new ATOM 0 HA VAL A 93 -0.399 -13.465 2.509 1.00 52.22 H new ATOM 0 HB VAL A 93 -0.475 -13.170 -0.477 1.00 42.43 H new ATOM 0 HG11 VAL A 93 1.478 -11.681 -0.001 1.00 23.14 H new ATOM 0 HG12 VAL A 93 0.014 -11.131 0.849 1.00 23.14 H new ATOM 0 HG13 VAL A 93 1.284 -12.004 1.738 1.00 23.14 H new ATOM 0 HG21 VAL A 93 1.824 -14.080 -0.511 1.00 62.50 H new ATOM 0 HG22 VAL A 93 1.682 -14.494 1.214 1.00 62.50 H new ATOM 0 HG23 VAL A 93 0.638 -15.297 0.017 1.00 62.50 H new ATOM 1312 N GLN A 94 -2.277 -11.918 2.729 1.00 54.44 N ATOM 1313 CA GLN A 94 -3.303 -10.888 2.880 1.00 54.22 C ATOM 1314 C GLN A 94 -2.665 -9.499 2.763 1.00 3.35 C ATOM 1315 O GLN A 94 -1.448 -9.341 2.620 1.00 13.05 O ATOM 1316 CB GLN A 94 -4.091 -11.027 4.200 1.00 20.15 C ATOM 1317 CG GLN A 94 -4.499 -12.447 4.611 1.00 15.22 C ATOM 1318 CD GLN A 94 -5.172 -13.278 3.518 1.00 2.31 C ATOM 1319 OE1 GLN A 94 -6.339 -13.082 3.177 1.00 53.33 O ATOM 1320 NE2 GLN A 94 -4.465 -14.260 2.983 1.00 44.11 N ATOM 0 H GLN A 94 -1.691 -12.040 3.555 1.00 54.44 H new ATOM 0 HA GLN A 94 -4.027 -11.021 2.076 1.00 54.22 H new ATOM 0 HB2 GLN A 94 -3.489 -10.600 5.002 1.00 20.15 H new ATOM 0 HB3 GLN A 94 -4.994 -10.422 4.123 1.00 20.15 H new ATOM 0 HG2 GLN A 94 -3.610 -12.978 4.952 1.00 15.22 H new ATOM 0 HG3 GLN A 94 -5.177 -12.380 5.462 1.00 15.22 H new ATOM 0 HE21 GLN A 94 -3.499 -14.411 3.275 1.00 44.11 H new ATOM 0 HE22 GLN A 94 -4.886 -14.866 2.279 1.00 44.11 H new ATOM 1327 N VAL A 95 -3.503 -8.473 2.832 1.00 74.50 N ATOM 1328 CA VAL A 95 -3.139 -7.075 2.714 1.00 43.11 C ATOM 1329 C VAL A 95 -3.972 -6.388 3.787 1.00 72.53 C ATOM 1330 O VAL A 95 -5.200 -6.343 3.697 1.00 23.41 O ATOM 1331 CB VAL A 95 -3.395 -6.577 1.271 1.00 31.44 C ATOM 1332 CG1 VAL A 95 -2.963 -5.132 0.981 1.00 33.43 C ATOM 1333 CG2 VAL A 95 -2.623 -7.440 0.257 1.00 53.02 C ATOM 0 H VAL A 95 -4.504 -8.604 2.979 1.00 74.50 H new ATOM 0 HA VAL A 95 -2.082 -6.865 2.874 1.00 43.11 H new ATOM 0 HB VAL A 95 -4.479 -6.644 1.174 1.00 31.44 H new ATOM 0 HG11 VAL A 95 -3.188 -4.886 -0.057 1.00 33.43 H new ATOM 0 HG12 VAL A 95 -3.503 -4.452 1.640 1.00 33.43 H new ATOM 0 HG13 VAL A 95 -1.892 -5.031 1.154 1.00 33.43 H new ATOM 0 HG21 VAL A 95 -2.815 -7.075 -0.752 1.00 53.02 H new ATOM 0 HG22 VAL A 95 -1.555 -7.381 0.467 1.00 53.02 H new ATOM 0 HG23 VAL A 95 -2.951 -8.476 0.337 1.00 53.02 H new ATOM 1343 N PHE A 96 -3.300 -5.904 4.826 1.00 64.51 N ATOM 1344 CA PHE A 96 -3.881 -5.166 5.938 1.00 52.43 C ATOM 1345 C PHE A 96 -3.510 -3.684 5.839 1.00 60.43 C ATOM 1346 O PHE A 96 -2.639 -3.304 5.049 1.00 13.54 O ATOM 1347 CB PHE A 96 -3.345 -5.777 7.239 1.00 75.14 C ATOM 1348 CG PHE A 96 -4.088 -5.276 8.457 1.00 20.32 C ATOM 1349 CD1 PHE A 96 -5.425 -5.663 8.657 1.00 42.11 C ATOM 1350 CD2 PHE A 96 -3.487 -4.350 9.328 1.00 2.23 C ATOM 1351 CE1 PHE A 96 -6.159 -5.122 9.726 1.00 54.51 C ATOM 1352 CE2 PHE A 96 -4.224 -3.805 10.393 1.00 60.33 C ATOM 1353 CZ PHE A 96 -5.558 -4.199 10.599 1.00 0.33 C ATOM 0 H PHE A 96 -2.291 -6.021 4.919 1.00 64.51 H new ATOM 0 HA PHE A 96 -4.969 -5.235 5.917 1.00 52.43 H new ATOM 0 HB2 PHE A 96 -3.426 -6.863 7.188 1.00 75.14 H new ATOM 0 HB3 PHE A 96 -2.286 -5.540 7.340 1.00 75.14 H new ATOM 0 HD1 PHE A 96 -5.887 -6.375 7.990 1.00 42.11 H new ATOM 0 HD2 PHE A 96 -2.458 -4.057 9.178 1.00 2.23 H new ATOM 0 HE1 PHE A 96 -7.187 -5.416 9.877 1.00 54.51 H new ATOM 0 HE2 PHE A 96 -3.766 -3.084 11.053 1.00 60.33 H new ATOM 0 HZ PHE A 96 -6.120 -3.793 11.427 1.00 0.33 H new ATOM 1362 N ILE A 97 -4.127 -2.824 6.651 1.00 72.13 N ATOM 1363 CA ILE A 97 -3.804 -1.404 6.693 1.00 14.21 C ATOM 1364 C ILE A 97 -4.064 -0.816 8.078 1.00 44.24 C ATOM 1365 O ILE A 97 -5.030 -1.207 8.731 1.00 52.24 O ATOM 1366 CB ILE A 97 -4.599 -0.602 5.633 1.00 51.10 C ATOM 1367 CG1 ILE A 97 -6.026 -1.136 5.381 1.00 53.32 C ATOM 1368 CG2 ILE A 97 -3.800 -0.546 4.329 1.00 75.23 C ATOM 1369 CD1 ILE A 97 -6.812 -0.237 4.426 1.00 63.22 C ATOM 0 H ILE A 97 -4.866 -3.097 7.298 1.00 72.13 H new ATOM 0 HA ILE A 97 -2.741 -1.320 6.465 1.00 14.21 H new ATOM 0 HB ILE A 97 -4.734 0.402 6.035 1.00 51.10 H new ATOM 0 HG12 ILE A 97 -5.969 -2.143 4.967 1.00 53.32 H new ATOM 0 HG13 ILE A 97 -6.558 -1.211 6.329 1.00 53.32 H new ATOM 0 HG21 ILE A 97 -4.360 0.018 3.583 1.00 75.23 H new ATOM 0 HG22 ILE A 97 -2.842 -0.058 4.510 1.00 75.23 H new ATOM 0 HG23 ILE A 97 -3.628 -1.559 3.964 1.00 75.23 H new ATOM 0 HD11 ILE A 97 -7.810 -0.649 4.276 1.00 63.22 H new ATOM 0 HD12 ILE A 97 -6.893 0.763 4.852 1.00 63.22 H new ATOM 0 HD13 ILE A 97 -6.294 -0.183 3.468 1.00 63.22 H new ATOM 1380 N PRO A 98 -3.263 0.177 8.502 1.00 71.30 N ATOM 1381 CA PRO A 98 -3.572 0.961 9.685 1.00 22.31 C ATOM 1382 C PRO A 98 -4.835 1.805 9.442 1.00 3.53 C ATOM 1383 O PRO A 98 -4.857 2.681 8.569 1.00 22.44 O ATOM 1384 CB PRO A 98 -2.320 1.798 9.959 1.00 55.31 C ATOM 1385 CG PRO A 98 -1.644 1.936 8.600 1.00 63.00 C ATOM 1386 CD PRO A 98 -2.050 0.668 7.852 1.00 44.42 C ATOM 0 HA PRO A 98 -3.803 0.350 10.558 1.00 22.31 H new ATOM 0 HB2 PRO A 98 -2.578 2.772 10.374 1.00 55.31 H new ATOM 0 HB3 PRO A 98 -1.665 1.308 10.679 1.00 55.31 H new ATOM 0 HG2 PRO A 98 -1.979 2.832 8.077 1.00 63.00 H new ATOM 0 HG3 PRO A 98 -0.561 2.011 8.699 1.00 63.00 H new ATOM 0 HD2 PRO A 98 -2.232 0.880 6.798 1.00 44.42 H new ATOM 0 HD3 PRO A 98 -1.257 -0.079 7.894 1.00 44.42 H new ATOM 1391 N GLN A 99 -5.889 1.544 10.215 1.00 55.22 N ATOM 1392 CA GLN A 99 -7.099 2.351 10.341 1.00 71.44 C ATOM 1393 C GLN A 99 -7.277 2.695 11.830 1.00 53.40 C ATOM 1394 O GLN A 99 -6.364 2.446 12.620 1.00 21.32 O ATOM 1395 CB GLN A 99 -8.302 1.587 9.764 1.00 71.04 C ATOM 1396 CG GLN A 99 -8.258 1.346 8.248 1.00 54.33 C ATOM 1397 CD GLN A 99 -8.398 2.642 7.461 1.00 54.41 C ATOM 1398 OE1 GLN A 99 -9.489 3.198 7.325 1.00 33.13 O ATOM 1399 NE2 GLN A 99 -7.304 3.189 6.956 1.00 33.32 N ATOM 0 H GLN A 99 -5.921 0.713 10.805 1.00 55.22 H new ATOM 0 HA GLN A 99 -7.021 3.278 9.773 1.00 71.44 H new ATOM 0 HB2 GLN A 99 -8.375 0.623 10.267 1.00 71.04 H new ATOM 0 HB3 GLN A 99 -9.211 2.140 10.002 1.00 71.04 H new ATOM 0 HG2 GLN A 99 -7.318 0.862 7.985 1.00 54.33 H new ATOM 0 HG3 GLN A 99 -9.059 0.662 7.966 1.00 54.33 H new ATOM 0 HE21 GLN A 99 -6.403 2.726 7.071 1.00 33.32 H new ATOM 0 HE22 GLN A 99 -7.362 4.074 6.452 1.00 33.32 H new