USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1210 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 145 MET CE :methyl -162:sc= -0.153 (180deg=-0.318) USER MOD Set 1.2: B 527 MET CE :methyl 172:sc= -0.207 (180deg=-0.193) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -135:sc= 0.346 (180deg=-0.478) USER MOD Set 2.2: A 34 THR OG1 : rot 78:sc= 1.36 USER MOD Set 3.1: A 5 THR OG1 : rot 143:sc= 0.602 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.0445 K(o=0.56,f=-4.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -32:sc= 0.0579 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.734 USER MOD Single : A 28 THR OG1 : rot 100:sc= 1.29 USER MOD Single : A 29 THR OG1 : rot -107:sc= -3.61! USER MOD Single : A 30 LYS NZ :NH3+ 167:sc=-0.00232 (180deg=-0.128) USER MOD Single : A 36 MET CE :methyl -113:sc= -0.888 (180deg=-1.86) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 49 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 51 MET CE :methyl 150:sc= -0.78 (180deg=-2.23!) USER MOD Single : A 53 ASN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 166:sc= 0 (180deg=-0.214) USER MOD Single : A 72 MET CE :methyl 138:sc= -0.529 (180deg=-3.51!) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -1.04 (180deg=-1.08) USER MOD Single : A 76 MET CE :methyl -145:sc= -0.0394 (180deg=-0.0534) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -146:sc= -1.11 (180deg=-2.9!) USER MOD Single : A 110 THR OG1 : rot 88:sc= 1.34 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 124 MET CE :methyl 180:sc= -0.22 (180deg=-0.22) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -2.15 F(o=-4!,f=-2.2) USER MOD Single : A 138 TYR OH : rot 30:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 176:sc= 0 (180deg=-0.0277) USER MOD Single : A 146 THR OG1 : rot 163:sc= -2.53! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 146:sc= 0.933 (180deg=0.226) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -26:sc= -5.48! USER MOD Single : B 529 MET CE :methyl 148:sc= -0.609 (180deg=-2.29!) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 1.443 -13.953 8.525 1.00 1.73 N ATOM 62 CA THR A 5 2.220 -13.020 9.325 1.00 2.05 C ATOM 63 C THR A 5 1.502 -11.672 9.344 1.00 1.66 C ATOM 64 O THR A 5 1.034 -11.210 8.311 1.00 1.15 O ATOM 65 CB THR A 5 3.638 -12.893 8.738 1.00 2.63 C ATOM 66 OG1 THR A 5 4.269 -14.179 8.729 1.00 3.14 O ATOM 67 CG2 THR A 5 4.519 -11.910 9.511 1.00 3.26 C ATOM 0 HA THR A 5 2.313 -13.380 10.349 1.00 2.05 H new ATOM 0 HB THR A 5 3.528 -12.505 7.725 1.00 2.63 H new ATOM 0 HG1 THR A 5 4.821 -14.267 7.924 1.00 3.14 H new ATOM 0 HG21 THR A 5 5.505 -11.864 9.049 1.00 3.26 H new ATOM 0 HG22 THR A 5 4.063 -10.920 9.492 1.00 3.26 H new ATOM 0 HG23 THR A 5 4.617 -12.244 10.544 1.00 3.26 H new ATOM 75 N GLU A 6 1.535 -11.012 10.499 1.00 2.22 N ATOM 76 CA GLU A 6 0.829 -9.740 10.742 1.00 2.15 C ATOM 77 C GLU A 6 1.022 -8.642 9.685 1.00 1.73 C ATOM 78 O GLU A 6 0.035 -8.172 9.123 1.00 1.38 O ATOM 79 CB GLU A 6 1.255 -9.196 12.102 1.00 2.80 C ATOM 80 CG GLU A 6 0.611 -9.906 13.284 1.00 3.25 C ATOM 81 CD GLU A 6 1.066 -9.346 14.618 1.00 3.82 C ATOM 82 OE1 GLU A 6 0.405 -8.417 15.128 1.00 4.39 O ATOM 83 OE2 GLU A 6 2.081 -9.838 15.154 1.00 4.09 O ATOM 0 H GLU A 6 2.058 -11.344 11.309 1.00 2.22 H new ATOM 0 HA GLU A 6 -0.231 -9.991 10.696 1.00 2.15 H new ATOM 0 HB2 GLU A 6 2.338 -9.276 12.190 1.00 2.80 H new ATOM 0 HB3 GLU A 6 1.009 -8.135 12.151 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.473 -9.820 13.208 1.00 3.25 H new ATOM 0 HG3 GLU A 6 0.850 -10.969 13.239 1.00 3.25 H new ATOM 90 N GLU A 7 2.271 -8.249 9.406 1.00 1.90 N ATOM 91 CA GLU A 7 2.544 -7.172 8.452 1.00 1.65 C ATOM 92 C GLU A 7 2.516 -7.627 7.005 1.00 1.44 C ATOM 93 O GLU A 7 2.394 -6.800 6.096 1.00 1.23 O ATOM 94 CB GLU A 7 3.879 -6.492 8.770 1.00 2.06 C ATOM 95 CG GLU A 7 3.845 -5.613 10.012 1.00 2.28 C ATOM 96 CD GLU A 7 5.229 -5.335 10.567 1.00 2.65 C ATOM 97 OE1 GLU A 7 6.001 -4.610 9.906 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.541 -5.843 11.665 1.00 2.91 O ATOM 0 H GLU A 7 3.104 -8.660 9.827 1.00 1.90 H new ATOM 0 HA GLU A 7 1.733 -6.453 8.567 1.00 1.65 H new ATOM 0 HB2 GLU A 7 4.643 -7.258 8.900 1.00 2.06 H new ATOM 0 HB3 GLU A 7 4.178 -5.885 7.916 1.00 2.06 H new ATOM 0 HG2 GLU A 7 3.358 -4.668 9.771 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.240 -6.097 10.779 1.00 2.28 H new ATOM 105 N GLN A 8 2.629 -8.932 6.792 1.00 1.67 N ATOM 106 CA GLN A 8 2.580 -9.494 5.447 1.00 1.66 C ATOM 107 C GLN A 8 1.124 -9.522 4.977 1.00 1.23 C ATOM 108 O GLN A 8 0.825 -9.181 3.829 1.00 1.28 O ATOM 109 CB GLN A 8 3.209 -10.893 5.422 1.00 1.98 C ATOM 110 CG GLN A 8 4.605 -10.936 6.040 1.00 2.48 C ATOM 111 CD GLN A 8 5.380 -12.186 5.662 1.00 2.88 C ATOM 112 OE1 GLN A 8 5.314 -13.207 6.344 1.00 3.21 O ATOM 113 NE2 GLN A 8 6.122 -12.109 4.564 1.00 3.41 N ATOM 0 H GLN A 8 2.755 -9.622 7.533 1.00 1.67 H new ATOM 0 HA GLN A 8 3.159 -8.873 4.764 1.00 1.66 H new ATOM 0 HB2 GLN A 8 2.560 -11.586 5.958 1.00 1.98 H new ATOM 0 HB3 GLN A 8 3.264 -11.241 4.391 1.00 1.98 H new ATOM 0 HG2 GLN A 8 5.165 -10.057 5.721 1.00 2.48 H new ATOM 0 HG3 GLN A 8 4.518 -10.883 7.125 1.00 2.48 H new ATOM 0 HE21 GLN A 8 6.149 -11.243 4.026 1.00 3.41 H new ATOM 0 HE22 GLN A 8 6.665 -12.916 4.258 1.00 3.41 H new ATOM 122 N ILE A 9 0.228 -9.936 5.889 1.00 0.97 N ATOM 123 CA ILE A 9 -1.212 -9.966 5.614 1.00 0.68 C ATOM 124 C ILE A 9 -1.910 -8.646 5.961 1.00 0.57 C ATOM 125 O ILE A 9 -3.051 -8.436 5.543 1.00 0.67 O ATOM 126 CB ILE A 9 -1.982 -11.156 6.256 1.00 0.76 C ATOM 127 CG1 ILE A 9 -1.399 -11.586 7.587 1.00 1.22 C ATOM 128 CG2 ILE A 9 -2.050 -12.335 5.299 1.00 1.14 C ATOM 129 CD1 ILE A 9 -1.927 -10.745 8.711 1.00 2.46 C ATOM 0 H ILE A 9 0.480 -10.255 6.825 1.00 0.97 H new ATOM 0 HA ILE A 9 -1.254 -10.118 4.536 1.00 0.68 H new ATOM 0 HB ILE A 9 -2.993 -10.799 6.454 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -1.639 -12.633 7.770 1.00 1.22 H new ATOM 0 HG13 ILE A 9 -0.312 -11.509 7.552 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -2.593 -13.155 5.770 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -2.566 -12.034 4.387 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -1.040 -12.663 5.053 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -1.490 -11.079 9.652 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -1.664 -9.701 8.539 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -3.011 -10.843 8.760 1.00 2.46 H new ATOM 141 N ALA A 10 -1.234 -7.751 6.717 1.00 0.59 N ATOM 142 CA ALA A 10 -1.832 -6.447 7.094 1.00 0.64 C ATOM 143 C ALA A 10 -2.116 -5.557 5.893 1.00 0.58 C ATOM 144 O ALA A 10 -3.182 -4.945 5.807 1.00 0.70 O ATOM 145 CB ALA A 10 -0.923 -5.662 8.013 1.00 0.80 C ATOM 0 H ALA A 10 -0.290 -7.902 7.073 1.00 0.59 H new ATOM 0 HA ALA A 10 -2.767 -6.704 7.592 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -1.395 -4.713 8.268 1.00 0.80 H new ATOM 0 HB2 ALA A 10 -0.744 -6.234 8.923 1.00 0.80 H new ATOM 0 HB3 ALA A 10 0.026 -5.473 7.511 1.00 0.80 H new ATOM 151 N GLU A 11 -1.166 -5.538 4.949 1.00 0.50 N ATOM 152 CA GLU A 11 -1.252 -4.688 3.768 1.00 0.51 C ATOM 153 C GLU A 11 -2.243 -5.291 2.789 1.00 0.49 C ATOM 154 O GLU A 11 -3.138 -4.606 2.300 1.00 0.50 O ATOM 155 CB GLU A 11 0.136 -4.509 3.110 1.00 0.59 C ATOM 156 CG GLU A 11 0.143 -3.650 1.834 1.00 0.64 C ATOM 157 CD GLU A 11 0.015 -4.481 0.570 1.00 0.88 C ATOM 158 OE1 GLU A 11 -1.121 -4.642 0.077 1.00 1.48 O ATOM 159 OE2 GLU A 11 1.052 -4.969 0.073 1.00 1.48 O ATOM 0 H GLU A 11 -0.323 -6.111 4.987 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.599 -3.699 4.066 1.00 0.51 H new ATOM 0 HB2 GLU A 11 0.811 -4.058 3.837 1.00 0.59 H new ATOM 0 HB3 GLU A 11 0.538 -5.493 2.870 1.00 0.59 H new ATOM 0 HG2 GLU A 11 -0.677 -2.934 1.878 1.00 0.64 H new ATOM 0 HG3 GLU A 11 1.067 -3.074 1.793 1.00 0.64 H new ATOM 166 N PHE A 12 -2.072 -6.597 2.534 1.00 0.52 N ATOM 167 CA PHE A 12 -2.943 -7.336 1.634 1.00 0.53 C ATOM 168 C PHE A 12 -4.364 -7.368 2.157 1.00 0.49 C ATOM 169 O PHE A 12 -5.303 -7.520 1.377 1.00 0.54 O ATOM 170 CB PHE A 12 -2.411 -8.752 1.414 1.00 0.63 C ATOM 171 CG PHE A 12 -1.610 -8.879 0.152 1.00 1.22 C ATOM 172 CD1 PHE A 12 -0.319 -8.379 0.079 1.00 2.05 C ATOM 173 CD2 PHE A 12 -2.158 -9.479 -0.968 1.00 2.14 C ATOM 174 CE1 PHE A 12 0.408 -8.476 -1.086 1.00 3.03 C ATOM 175 CE2 PHE A 12 -1.433 -9.583 -2.135 1.00 3.14 C ATOM 176 CZ PHE A 12 -0.149 -9.080 -2.197 1.00 3.44 C ATOM 0 H PHE A 12 -1.328 -7.159 2.947 1.00 0.52 H new ATOM 0 HA PHE A 12 -2.953 -6.821 0.673 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.791 -9.039 2.263 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -3.248 -9.449 1.380 1.00 0.63 H new ATOM 0 HD1 PHE A 12 0.121 -7.908 0.946 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -3.164 -9.870 -0.927 1.00 2.14 H new ATOM 0 HE1 PHE A 12 1.412 -8.081 -1.132 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -1.869 -10.058 -3.001 1.00 3.14 H new ATOM 0 HZ PHE A 12 0.419 -9.158 -3.112 1.00 3.44 H new ATOM 186 N LYS A 13 -4.517 -7.223 3.487 1.00 0.47 N ATOM 187 CA LYS A 13 -5.832 -7.182 4.096 1.00 0.48 C ATOM 188 C LYS A 13 -6.602 -5.965 3.691 1.00 0.48 C ATOM 189 O LYS A 13 -7.733 -6.052 3.209 1.00 0.52 O ATOM 190 CB LYS A 13 -5.764 -7.148 5.615 1.00 0.51 C ATOM 191 CG LYS A 13 -7.040 -7.647 6.243 1.00 0.57 C ATOM 192 CD LYS A 13 -7.231 -9.122 5.918 1.00 0.60 C ATOM 193 CE LYS A 13 -8.701 -9.500 5.829 1.00 0.66 C ATOM 194 NZ LYS A 13 -8.885 -10.950 5.549 1.00 1.21 N ATOM 0 H LYS A 13 -3.743 -7.134 4.145 1.00 0.47 H new ATOM 0 HA LYS A 13 -6.324 -8.091 3.749 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -4.928 -7.759 5.955 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -5.570 -6.128 5.948 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -7.005 -7.505 7.323 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -7.888 -7.071 5.873 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -6.740 -9.351 4.972 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -6.747 -9.728 6.684 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -9.199 -9.245 6.765 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -9.179 -8.915 5.044 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -9.901 -11.167 5.496 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -8.432 -11.189 4.644 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -8.451 -11.509 6.311 1.00 1.21 H new ATOM 208 N GLU A 14 -5.994 -4.828 3.937 1.00 0.47 N ATOM 209 CA GLU A 14 -6.628 -3.593 3.636 1.00 0.49 C ATOM 210 C GLU A 14 -6.658 -3.383 2.131 1.00 0.49 C ATOM 211 O GLU A 14 -7.534 -2.699 1.593 1.00 0.54 O ATOM 212 CB GLU A 14 -5.917 -2.437 4.334 1.00 0.50 C ATOM 213 CG GLU A 14 -6.570 -1.987 5.637 1.00 0.52 C ATOM 214 CD GLU A 14 -6.269 -2.910 6.806 1.00 1.25 C ATOM 215 OE1 GLU A 14 -7.043 -3.866 7.022 1.00 1.99 O ATOM 216 OE2 GLU A 14 -5.260 -2.676 7.504 1.00 1.95 O ATOM 0 H GLU A 14 -5.062 -4.746 4.344 1.00 0.47 H new ATOM 0 HA GLU A 14 -7.653 -3.623 4.005 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -4.888 -2.732 4.541 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -5.874 -1.588 3.652 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -6.228 -0.981 5.879 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -7.649 -1.931 5.495 1.00 0.52 H new ATOM 223 N ALA A 15 -5.667 -3.997 1.471 1.00 0.46 N ATOM 224 CA ALA A 15 -5.551 -3.967 0.026 1.00 0.48 C ATOM 225 C ALA A 15 -6.425 -5.043 -0.606 1.00 0.50 C ATOM 226 O ALA A 15 -6.466 -5.223 -1.829 1.00 0.55 O ATOM 227 CB ALA A 15 -4.105 -4.110 -0.428 1.00 0.50 C ATOM 0 H ALA A 15 -4.928 -4.526 1.934 1.00 0.46 H new ATOM 0 HA ALA A 15 -5.903 -2.992 -0.311 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -4.061 -4.083 -1.517 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -3.513 -3.291 -0.020 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -3.704 -5.059 -0.072 1.00 0.50 H new ATOM 233 N PHE A 16 -7.127 -5.732 0.278 1.00 0.49 N ATOM 234 CA PHE A 16 -8.056 -6.804 -0.081 1.00 0.53 C ATOM 235 C PHE A 16 -9.408 -6.183 -0.398 1.00 0.57 C ATOM 236 O PHE A 16 -10.037 -6.534 -1.393 1.00 0.60 O ATOM 237 CB PHE A 16 -8.192 -7.848 1.047 1.00 0.55 C ATOM 238 CG PHE A 16 -8.616 -9.210 0.567 1.00 0.56 C ATOM 239 CD1 PHE A 16 -7.670 -10.157 0.205 1.00 1.27 C ATOM 240 CD2 PHE A 16 -9.958 -9.542 0.478 1.00 1.27 C ATOM 241 CE1 PHE A 16 -8.056 -11.408 -0.237 1.00 1.31 C ATOM 242 CE2 PHE A 16 -10.350 -10.792 0.037 1.00 1.27 C ATOM 243 CZ PHE A 16 -9.397 -11.726 -0.321 1.00 0.62 C ATOM 0 H PHE A 16 -7.070 -5.564 1.282 1.00 0.49 H new ATOM 0 HA PHE A 16 -7.668 -7.331 -0.953 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -7.237 -7.937 1.564 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -8.917 -7.488 1.777 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -6.620 -9.914 0.269 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -10.707 -8.815 0.757 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -7.309 -12.137 -0.517 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -11.400 -11.038 -0.028 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.700 -12.703 -0.666 1.00 0.62 H new ATOM 253 N SER A 17 -9.827 -5.224 0.450 1.00 0.61 N ATOM 254 CA SER A 17 -11.098 -4.520 0.259 1.00 0.67 C ATOM 255 C SER A 17 -10.985 -3.481 -0.865 1.00 0.74 C ATOM 256 O SER A 17 -11.996 -2.979 -1.362 1.00 0.78 O ATOM 257 CB SER A 17 -11.543 -3.852 1.563 1.00 0.74 C ATOM 258 OG SER A 17 -12.865 -3.348 1.461 1.00 1.41 O ATOM 0 H SER A 17 -9.301 -4.924 1.271 1.00 0.61 H new ATOM 0 HA SER A 17 -11.851 -5.253 -0.030 1.00 0.67 H new ATOM 0 HB2 SER A 17 -11.488 -4.572 2.380 1.00 0.74 H new ATOM 0 HB3 SER A 17 -10.860 -3.039 1.809 1.00 0.74 H new ATOM 0 HG SER A 17 -13.036 -3.061 0.540 1.00 1.41 H new ATOM 264 N LEU A 18 -9.734 -3.171 -1.249 1.00 0.79 N ATOM 265 CA LEU A 18 -9.437 -2.204 -2.324 1.00 0.91 C ATOM 266 C LEU A 18 -10.005 -2.663 -3.671 1.00 0.81 C ATOM 267 O LEU A 18 -10.581 -1.870 -4.421 1.00 0.79 O ATOM 268 CB LEU A 18 -7.912 -2.031 -2.502 1.00 1.26 C ATOM 269 CG LEU A 18 -7.193 -0.899 -1.744 1.00 0.69 C ATOM 270 CD1 LEU A 18 -5.738 -0.872 -2.171 1.00 1.59 C ATOM 271 CD2 LEU A 18 -7.795 0.471 -2.013 1.00 0.83 C ATOM 0 H LEU A 18 -8.902 -3.582 -0.825 1.00 0.79 H new ATOM 0 HA LEU A 18 -9.900 -1.263 -2.027 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -7.439 -2.970 -2.215 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.719 -1.888 -3.565 1.00 1.26 H new ATOM 0 HG LEU A 18 -7.301 -1.105 -0.679 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -5.218 -0.074 -1.641 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.272 -1.829 -1.935 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -5.677 -0.694 -3.245 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -7.246 1.226 -1.451 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.732 0.694 -3.078 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -8.840 0.477 -1.703 1.00 0.83 H new ATOM 283 N PHE A 19 -9.825 -3.954 -3.948 1.00 0.84 N ATOM 284 CA PHE A 19 -10.255 -4.568 -5.202 1.00 0.86 C ATOM 285 C PHE A 19 -11.478 -5.428 -5.015 1.00 0.75 C ATOM 286 O PHE A 19 -12.402 -5.373 -5.812 1.00 0.79 O ATOM 287 CB PHE A 19 -9.156 -5.502 -5.742 1.00 1.02 C ATOM 288 CG PHE A 19 -7.782 -4.893 -5.929 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.048 -4.430 -4.842 1.00 1.41 C ATOM 290 CD2 PHE A 19 -7.220 -4.800 -7.192 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.792 -3.883 -5.014 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.962 -4.255 -7.368 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.249 -3.794 -6.277 1.00 1.28 C ATOM 0 H PHE A 19 -9.375 -4.606 -3.305 1.00 0.84 H new ATOM 0 HA PHE A 19 -10.468 -3.747 -5.887 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -9.064 -6.349 -5.062 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.487 -5.898 -6.702 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.467 -4.499 -3.849 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.771 -5.158 -8.049 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -5.236 -3.525 -4.160 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -5.536 -4.189 -8.358 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.268 -3.365 -6.415 1.00 1.28 H new ATOM 303 N ASP A 20 -11.477 -6.213 -3.943 1.00 0.68 N ATOM 304 CA ASP A 20 -12.541 -7.170 -3.683 1.00 0.63 C ATOM 305 C ASP A 20 -13.907 -6.482 -3.393 1.00 0.66 C ATOM 306 O ASP A 20 -14.387 -6.480 -2.253 1.00 0.74 O ATOM 307 CB ASP A 20 -12.078 -8.133 -2.552 1.00 0.60 C ATOM 308 CG ASP A 20 -13.069 -9.216 -2.169 1.00 1.67 C ATOM 309 OD1 ASP A 20 -14.146 -8.885 -1.632 1.00 2.45 O ATOM 310 OD2 ASP A 20 -12.753 -10.404 -2.391 1.00 2.31 O ATOM 0 H ASP A 20 -10.743 -6.203 -3.235 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.726 -7.758 -4.582 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.148 -8.609 -2.863 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -11.852 -7.541 -1.665 1.00 0.60 H new ATOM 315 N LYS A 21 -14.507 -5.856 -4.438 1.00 0.73 N ATOM 316 CA LYS A 21 -15.827 -5.217 -4.298 1.00 0.80 C ATOM 317 C LYS A 21 -16.942 -6.238 -4.559 1.00 0.82 C ATOM 318 O LYS A 21 -18.050 -6.122 -4.026 1.00 0.91 O ATOM 319 CB LYS A 21 -15.994 -3.924 -5.123 1.00 1.01 C ATOM 320 CG LYS A 21 -15.926 -4.103 -6.620 1.00 0.97 C ATOM 321 CD LYS A 21 -14.506 -4.019 -7.123 1.00 0.95 C ATOM 322 CE LYS A 21 -14.079 -2.587 -7.461 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.733 -2.084 -8.703 1.00 1.63 N ATOM 0 H LYS A 21 -14.100 -5.784 -5.370 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.906 -4.880 -3.265 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.953 -3.472 -4.870 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -15.220 -3.218 -4.822 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.353 -5.068 -6.892 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -16.531 -3.338 -7.107 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.833 -4.425 -6.368 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.402 -4.643 -8.011 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -14.329 -1.929 -6.629 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.996 -2.551 -7.582 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -14.026 -1.609 -9.300 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -15.146 -2.883 -9.225 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -15.483 -1.409 -8.451 1.00 1.63 H new ATOM 337 N ASP A 22 -16.612 -7.234 -5.394 1.00 0.85 N ATOM 338 CA ASP A 22 -17.506 -8.357 -5.704 1.00 0.97 C ATOM 339 C ASP A 22 -17.171 -9.451 -4.685 1.00 0.88 C ATOM 340 O ASP A 22 -18.043 -9.926 -3.951 1.00 1.02 O ATOM 341 CB ASP A 22 -17.302 -8.839 -7.151 1.00 1.12 C ATOM 342 CG ASP A 22 -18.461 -9.678 -7.661 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.425 -10.913 -7.479 1.00 2.09 O ATOM 344 OD2 ASP A 22 -19.404 -9.099 -8.241 1.00 1.48 O ATOM 0 H ASP A 22 -15.714 -7.283 -5.875 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.555 -8.070 -5.634 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.171 -7.975 -7.802 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.384 -9.423 -7.208 1.00 1.12 H new ATOM 349 N GLY A 23 -15.883 -9.833 -4.670 1.00 0.75 N ATOM 350 CA GLY A 23 -15.360 -10.751 -3.679 1.00 0.75 C ATOM 351 C GLY A 23 -15.648 -12.219 -3.805 1.00 0.85 C ATOM 352 O GLY A 23 -16.189 -12.821 -2.873 1.00 1.01 O ATOM 0 H GLY A 23 -15.190 -9.509 -5.345 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -14.277 -10.631 -3.663 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -15.731 -10.428 -2.706 1.00 0.75 H new ATOM 356 N ASP A 24 -15.298 -12.803 -4.944 1.00 0.82 N ATOM 357 CA ASP A 24 -15.394 -14.255 -5.115 1.00 0.95 C ATOM 358 C ASP A 24 -14.291 -14.861 -4.224 1.00 0.87 C ATOM 359 O ASP A 24 -14.171 -16.074 -4.036 1.00 0.96 O ATOM 360 CB ASP A 24 -15.115 -14.598 -6.566 1.00 1.00 C ATOM 361 CG ASP A 24 -15.555 -16.000 -6.953 1.00 1.41 C ATOM 362 OD1 ASP A 24 -14.739 -16.937 -6.818 1.00 1.96 O ATOM 363 OD2 ASP A 24 -16.714 -16.159 -7.390 1.00 1.93 O ATOM 0 H ASP A 24 -14.947 -12.302 -5.760 1.00 0.82 H new ATOM 0 HA ASP A 24 -16.380 -14.635 -4.847 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -15.623 -13.877 -7.206 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.047 -14.496 -6.756 1.00 1.00 H new ATOM 368 N GLY A 25 -13.510 -13.912 -3.701 1.00 0.74 N ATOM 369 CA GLY A 25 -12.383 -14.141 -2.812 1.00 0.72 C ATOM 370 C GLY A 25 -11.085 -13.878 -3.530 1.00 0.65 C ATOM 371 O GLY A 25 -9.998 -14.170 -3.023 1.00 0.69 O ATOM 0 H GLY A 25 -13.658 -12.922 -3.898 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -12.462 -13.491 -1.940 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -12.402 -15.168 -2.447 1.00 0.72 H new ATOM 375 N THR A 26 -11.233 -13.315 -4.726 1.00 0.62 N ATOM 376 CA THR A 26 -10.128 -12.983 -5.594 1.00 0.58 C ATOM 377 C THR A 26 -10.151 -11.533 -6.072 1.00 0.57 C ATOM 378 O THR A 26 -11.058 -10.761 -5.748 1.00 0.64 O ATOM 379 CB THR A 26 -10.170 -13.869 -6.832 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.488 -13.856 -7.404 1.00 0.63 O ATOM 381 CG2 THR A 26 -9.784 -15.291 -6.487 1.00 0.64 C ATOM 0 H THR A 26 -12.144 -13.076 -5.118 1.00 0.62 H new ATOM 0 HA THR A 26 -9.223 -13.137 -5.006 1.00 0.58 H new ATOM 0 HB THR A 26 -9.456 -13.476 -7.556 1.00 0.60 H new ATOM 0 HG1 THR A 26 -11.660 -14.712 -7.849 1.00 0.63 H new ATOM 0 HG21 THR A 26 -9.821 -15.906 -7.386 1.00 0.64 H new ATOM 0 HG22 THR A 26 -8.773 -15.305 -6.079 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.479 -15.688 -5.747 1.00 0.64 H new ATOM 389 N ILE A 27 -9.120 -11.200 -6.852 1.00 0.54 N ATOM 390 CA ILE A 27 -8.947 -9.908 -7.446 1.00 0.53 C ATOM 391 C ILE A 27 -9.120 -9.986 -8.920 1.00 0.53 C ATOM 392 O ILE A 27 -8.462 -10.756 -9.595 1.00 0.51 O ATOM 393 CB ILE A 27 -7.584 -9.329 -7.103 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.722 -8.701 -5.751 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.077 -8.313 -8.133 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.952 -9.417 -4.665 1.00 0.54 C ATOM 0 H ILE A 27 -8.371 -11.853 -7.083 1.00 0.54 H new ATOM 0 HA ILE A 27 -9.710 -9.244 -7.039 1.00 0.53 H new ATOM 0 HB ILE A 27 -6.838 -10.124 -7.109 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.381 -7.667 -5.804 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.777 -8.675 -5.479 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.100 -7.940 -7.826 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -6.992 -8.794 -9.107 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -7.778 -7.481 -8.199 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.101 -8.904 -3.715 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.309 -10.444 -4.583 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.891 -9.420 -4.913 1.00 0.54 H new ATOM 408 N THR A 28 -9.959 -9.128 -9.397 1.00 0.59 N ATOM 409 CA THR A 28 -10.269 -9.091 -10.805 1.00 0.61 C ATOM 410 C THR A 28 -9.703 -7.856 -11.474 1.00 0.58 C ATOM 411 O THR A 28 -9.220 -6.917 -10.836 1.00 0.57 O ATOM 412 CB THR A 28 -11.787 -9.182 -11.035 1.00 0.69 C ATOM 413 OG1 THR A 28 -12.418 -9.895 -9.962 1.00 0.75 O ATOM 414 CG2 THR A 28 -12.128 -9.873 -12.360 1.00 0.73 C ATOM 0 H THR A 28 -10.451 -8.434 -8.835 1.00 0.59 H new ATOM 0 HA THR A 28 -9.796 -9.960 -11.263 1.00 0.61 H new ATOM 0 HB THR A 28 -12.161 -8.159 -11.073 1.00 0.69 H new ATOM 0 HG1 THR A 28 -12.812 -9.256 -9.332 1.00 0.75 H new ATOM 0 HG21 THR A 28 -13.211 -9.915 -12.480 1.00 0.73 H new ATOM 0 HG22 THR A 28 -11.693 -9.311 -13.186 1.00 0.73 H new ATOM 0 HG23 THR A 28 -11.724 -10.885 -12.357 1.00 0.73 H new ATOM 422 N THR A 29 -9.796 -7.916 -12.785 1.00 0.58 N ATOM 423 CA THR A 29 -9.304 -6.900 -13.699 1.00 0.57 C ATOM 424 C THR A 29 -10.092 -5.583 -13.591 1.00 0.62 C ATOM 425 O THR A 29 -9.479 -4.515 -13.547 1.00 0.64 O ATOM 426 CB THR A 29 -9.275 -7.417 -15.175 1.00 0.58 C ATOM 427 OG1 THR A 29 -10.336 -6.845 -15.951 1.00 0.66 O ATOM 428 CG2 THR A 29 -9.369 -8.934 -15.277 1.00 0.59 C ATOM 0 H THR A 29 -10.233 -8.703 -13.265 1.00 0.58 H new ATOM 0 HA THR A 29 -8.278 -6.686 -13.398 1.00 0.57 H new ATOM 0 HB THR A 29 -8.309 -7.103 -15.570 1.00 0.58 H new ATOM 0 HG1 THR A 29 -11.021 -7.525 -16.121 1.00 0.66 H new ATOM 0 HG21 THR A 29 -9.344 -9.230 -16.326 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.528 -9.387 -14.752 1.00 0.59 H new ATOM 0 HG23 THR A 29 -10.302 -9.272 -14.827 1.00 0.59 H new ATOM 436 N LYS A 30 -11.446 -5.648 -13.525 1.00 0.77 N ATOM 437 CA LYS A 30 -12.263 -4.418 -13.397 1.00 0.85 C ATOM 438 C LYS A 30 -11.883 -3.651 -12.124 1.00 0.84 C ATOM 439 O LYS A 30 -11.950 -2.423 -12.085 1.00 0.93 O ATOM 440 CB LYS A 30 -13.783 -4.714 -13.431 1.00 1.01 C ATOM 441 CG LYS A 30 -14.339 -5.552 -12.271 1.00 1.06 C ATOM 442 CD LYS A 30 -14.205 -7.043 -12.539 1.00 1.10 C ATOM 443 CE LYS A 30 -14.999 -7.865 -11.531 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.471 -7.746 -11.739 1.00 1.66 N ATOM 0 H LYS A 30 -11.982 -6.515 -13.557 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.044 -3.793 -14.263 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -14.316 -3.764 -13.453 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -14.011 -5.229 -14.365 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -13.810 -5.298 -11.353 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.388 -5.304 -12.113 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -14.554 -7.265 -13.547 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -13.154 -7.329 -12.496 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -14.707 -8.912 -11.609 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -14.749 -7.538 -10.522 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -16.960 -8.479 -11.187 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -16.791 -6.807 -11.427 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.690 -7.869 -12.748 1.00 1.66 H new ATOM 458 N GLU A 31 -11.468 -4.416 -11.102 1.00 0.82 N ATOM 459 CA GLU A 31 -11.022 -3.883 -9.816 1.00 0.87 C ATOM 460 C GLU A 31 -9.664 -3.209 -9.968 1.00 0.78 C ATOM 461 O GLU A 31 -9.435 -2.106 -9.469 1.00 0.81 O ATOM 462 CB GLU A 31 -10.872 -5.010 -8.787 1.00 1.02 C ATOM 463 CG GLU A 31 -12.099 -5.904 -8.631 1.00 1.82 C ATOM 464 CD GLU A 31 -11.820 -7.249 -7.971 1.00 2.69 C ATOM 465 OE1 GLU A 31 -10.724 -7.435 -7.399 1.00 3.34 O ATOM 466 OE2 GLU A 31 -12.714 -8.120 -8.019 1.00 3.27 O ATOM 0 H GLU A 31 -11.434 -5.434 -11.152 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.769 -3.165 -9.479 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.022 -5.631 -9.070 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.636 -4.569 -7.818 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -12.848 -5.373 -8.043 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -12.533 -6.079 -9.615 1.00 1.82 H new ATOM 473 N LEU A 32 -8.782 -3.916 -10.687 1.00 0.68 N ATOM 474 CA LEU A 32 -7.412 -3.494 -10.975 1.00 0.60 C ATOM 475 C LEU A 32 -7.358 -2.106 -11.585 1.00 0.66 C ATOM 476 O LEU A 32 -6.423 -1.358 -11.310 1.00 0.72 O ATOM 477 CB LEU A 32 -6.783 -4.578 -11.875 1.00 0.54 C ATOM 478 CG LEU A 32 -5.285 -4.485 -12.244 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.428 -3.837 -11.155 1.00 0.49 C ATOM 480 CD2 LEU A 32 -4.756 -5.876 -12.546 1.00 0.44 C ATOM 0 H LEU A 32 -9.012 -4.822 -11.094 1.00 0.68 H new ATOM 0 HA LEU A 32 -6.835 -3.405 -10.054 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -6.940 -5.540 -11.387 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.348 -4.598 -12.807 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.214 -3.841 -13.120 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.388 -3.805 -11.481 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -4.782 -2.823 -10.969 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.502 -4.421 -10.238 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -3.699 -5.815 -12.807 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -4.877 -6.510 -11.668 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.312 -6.303 -13.381 1.00 0.44 H new ATOM 492 N GLY A 33 -8.367 -1.769 -12.384 1.00 0.71 N ATOM 493 CA GLY A 33 -8.441 -0.449 -12.974 1.00 0.80 C ATOM 494 C GLY A 33 -9.059 0.559 -12.043 1.00 0.83 C ATOM 495 O GLY A 33 -8.721 1.743 -12.078 1.00 0.91 O ATOM 0 H GLY A 33 -9.136 -2.391 -12.632 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.439 -0.120 -13.249 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.024 -0.497 -13.893 1.00 0.80 H new ATOM 499 N THR A 34 -9.976 0.068 -11.218 1.00 0.80 N ATOM 500 CA THR A 34 -10.641 0.872 -10.190 1.00 0.84 C ATOM 501 C THR A 34 -9.612 1.360 -9.163 1.00 0.83 C ATOM 502 O THR A 34 -9.835 2.354 -8.466 1.00 0.88 O ATOM 503 CB THR A 34 -11.685 0.023 -9.441 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.504 -0.688 -10.374 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.583 0.867 -8.537 1.00 0.96 C ATOM 0 H THR A 34 -10.284 -0.904 -11.240 1.00 0.80 H new ATOM 0 HA THR A 34 -11.124 1.717 -10.681 1.00 0.84 H new ATOM 0 HB THR A 34 -11.131 -0.674 -8.812 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.013 -1.465 -10.714 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.301 0.221 -8.032 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.972 1.381 -7.795 1.00 0.96 H new ATOM 0 HG23 THR A 34 -13.117 1.602 -9.139 1.00 0.96 H new ATOM 513 N VAL A 35 -8.488 0.634 -9.090 1.00 0.77 N ATOM 514 CA VAL A 35 -7.408 0.954 -8.142 1.00 0.79 C ATOM 515 C VAL A 35 -6.480 2.039 -8.702 1.00 0.80 C ATOM 516 O VAL A 35 -6.368 3.142 -8.160 1.00 0.86 O ATOM 517 CB VAL A 35 -6.586 -0.328 -7.861 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.402 -0.072 -6.924 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.484 -1.403 -7.277 1.00 0.79 C ATOM 0 H VAL A 35 -8.301 -0.180 -9.676 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.855 1.330 -7.222 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.177 -0.663 -8.814 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.860 -1.003 -6.760 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.734 0.663 -7.374 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.768 0.307 -5.970 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.897 -2.301 -7.083 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.920 -1.045 -6.344 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.280 -1.636 -7.984 1.00 0.79 H new ATOM 529 N MET A 36 -5.832 1.667 -9.796 1.00 0.77 N ATOM 530 CA MET A 36 -4.872 2.508 -10.548 1.00 0.81 C ATOM 531 C MET A 36 -5.370 3.908 -10.866 1.00 0.80 C ATOM 532 O MET A 36 -4.601 4.864 -10.850 1.00 0.87 O ATOM 533 CB MET A 36 -4.598 1.873 -11.910 1.00 0.87 C ATOM 534 CG MET A 36 -5.777 1.124 -12.451 1.00 0.86 C ATOM 535 SD MET A 36 -5.453 0.315 -14.039 1.00 1.10 S ATOM 536 CE MET A 36 -4.400 -1.056 -13.560 1.00 1.82 C ATOM 0 H MET A 36 -5.954 0.743 -10.210 1.00 0.77 H new ATOM 0 HA MET A 36 -4.000 2.576 -9.898 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.313 2.651 -12.618 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.750 1.193 -11.825 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.083 0.371 -11.725 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.613 1.814 -12.568 1.00 0.86 H new ATOM 0 HE1 MET A 36 -3.400 -0.907 -13.968 1.00 1.82 H new ATOM 0 HE2 MET A 36 -4.344 -1.109 -12.473 1.00 1.82 H new ATOM 0 HE3 MET A 36 -4.815 -1.986 -13.948 1.00 1.82 H new ATOM 546 N ARG A 37 -6.658 4.005 -11.179 1.00 0.79 N ATOM 547 CA ARG A 37 -7.254 5.256 -11.621 1.00 0.85 C ATOM 548 C ARG A 37 -7.001 6.461 -10.693 1.00 0.94 C ATOM 549 O ARG A 37 -6.444 7.483 -11.101 1.00 1.01 O ATOM 550 CB ARG A 37 -8.771 5.110 -11.861 1.00 0.96 C ATOM 551 CG ARG A 37 -9.531 4.324 -10.793 1.00 1.49 C ATOM 552 CD ARG A 37 -11.022 4.263 -11.091 1.00 1.68 C ATOM 553 NE ARG A 37 -11.337 3.309 -12.162 1.00 2.53 N ATOM 554 CZ ARG A 37 -12.571 3.066 -12.629 1.00 2.93 C ATOM 555 NH1 ARG A 37 -13.632 3.699 -12.134 1.00 2.47 N ATOM 556 NH2 ARG A 37 -12.739 2.179 -13.601 1.00 3.94 N ATOM 0 H ARG A 37 -7.312 3.224 -11.133 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.742 5.472 -12.559 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -9.208 6.106 -11.934 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.924 4.623 -12.824 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -9.131 3.312 -10.733 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -9.374 4.788 -9.819 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -11.560 3.981 -10.186 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -11.374 5.255 -11.375 1.00 1.68 H new ATOM 0 HE ARG A 37 -10.562 2.794 -12.581 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -13.515 4.383 -11.386 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -14.562 3.500 -12.502 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -11.933 1.687 -13.988 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -13.674 1.988 -13.962 1.00 3.94 H new ATOM 570 N SER A 38 -7.431 6.288 -9.454 1.00 1.00 N ATOM 571 CA SER A 38 -7.360 7.302 -8.377 1.00 1.16 C ATOM 572 C SER A 38 -6.012 8.018 -8.191 1.00 1.17 C ATOM 573 O SER A 38 -5.990 9.130 -7.653 1.00 1.33 O ATOM 574 CB SER A 38 -7.778 6.669 -7.050 1.00 1.37 C ATOM 575 OG SER A 38 -9.109 6.185 -7.113 1.00 1.82 O ATOM 0 H SER A 38 -7.856 5.414 -9.145 1.00 1.00 H new ATOM 0 HA SER A 38 -8.046 8.085 -8.701 1.00 1.16 H new ATOM 0 HB2 SER A 38 -7.101 5.851 -6.805 1.00 1.37 H new ATOM 0 HB3 SER A 38 -7.692 7.404 -6.250 1.00 1.37 H new ATOM 0 HG SER A 38 -9.352 5.783 -6.253 1.00 1.82 H new ATOM 581 N LEU A 39 -4.907 7.410 -8.619 1.00 1.11 N ATOM 582 CA LEU A 39 -3.596 8.025 -8.461 1.00 1.26 C ATOM 583 C LEU A 39 -3.206 8.916 -9.657 1.00 1.23 C ATOM 584 O LEU A 39 -2.150 9.559 -9.637 1.00 1.39 O ATOM 585 CB LEU A 39 -2.518 6.958 -8.161 1.00 1.42 C ATOM 586 CG LEU A 39 -2.479 5.708 -9.059 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.970 6.040 -10.451 1.00 1.18 C ATOM 588 CD2 LEU A 39 -1.617 4.627 -8.424 1.00 2.07 C ATOM 0 H LEU A 39 -4.896 6.498 -9.075 1.00 1.11 H new ATOM 0 HA LEU A 39 -3.659 8.691 -7.600 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -1.543 7.442 -8.217 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -2.651 6.627 -7.131 1.00 1.42 H new ATOM 0 HG LEU A 39 -3.499 5.336 -9.157 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.955 5.135 -11.058 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -2.628 6.776 -10.913 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.961 6.447 -10.382 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -1.599 3.750 -9.070 1.00 2.07 H new ATOM 0 HD22 LEU A 39 -0.602 5.002 -8.292 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -2.032 4.354 -7.454 1.00 2.07 H new ATOM 600 N GLY A 40 -4.066 8.951 -10.686 1.00 1.12 N ATOM 601 CA GLY A 40 -3.813 9.781 -11.861 1.00 1.21 C ATOM 602 C GLY A 40 -3.462 9.002 -13.118 1.00 1.24 C ATOM 603 O GLY A 40 -2.998 9.592 -14.098 1.00 1.48 O ATOM 0 H GLY A 40 -4.934 8.417 -10.724 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -4.697 10.387 -12.059 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -2.998 10.469 -11.636 1.00 1.21 H new ATOM 607 N GLN A 41 -3.680 7.688 -13.092 1.00 1.05 N ATOM 608 CA GLN A 41 -3.392 6.833 -14.245 1.00 1.08 C ATOM 609 C GLN A 41 -4.680 6.226 -14.800 1.00 1.03 C ATOM 610 O GLN A 41 -5.483 5.661 -14.052 1.00 1.04 O ATOM 611 CB GLN A 41 -2.399 5.724 -13.861 1.00 1.08 C ATOM 612 CG GLN A 41 -1.566 5.189 -15.027 1.00 1.30 C ATOM 613 CD GLN A 41 -0.411 6.103 -15.401 1.00 2.18 C ATOM 614 OE1 GLN A 41 0.694 5.974 -14.873 1.00 2.69 O ATOM 615 NE2 GLN A 41 -0.663 7.031 -16.317 1.00 3.01 N ATOM 0 H GLN A 41 -4.056 7.191 -12.284 1.00 1.05 H new ATOM 0 HA GLN A 41 -2.939 7.449 -15.022 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -1.725 6.106 -13.094 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -2.952 4.897 -13.416 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.174 4.206 -14.765 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -2.211 5.054 -15.895 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -1.594 7.102 -16.728 1.00 3.01 H new ATOM 0 HE22 GLN A 41 0.074 7.673 -16.609 1.00 3.01 H new ATOM 624 N ASN A 42 -4.858 6.354 -16.118 1.00 1.26 N ATOM 625 CA ASN A 42 -6.034 5.821 -16.803 1.00 1.34 C ATOM 626 C ASN A 42 -5.606 4.865 -17.936 1.00 0.89 C ATOM 627 O ASN A 42 -5.636 5.236 -19.117 1.00 1.50 O ATOM 628 CB ASN A 42 -6.907 6.965 -17.342 1.00 2.22 C ATOM 629 CG ASN A 42 -7.601 7.740 -16.237 1.00 3.03 C ATOM 630 OD1 ASN A 42 -8.714 7.405 -15.832 1.00 3.77 O ATOM 631 ND2 ASN A 42 -6.944 8.784 -15.745 1.00 3.37 N ATOM 0 H ASN A 42 -4.196 6.826 -16.734 1.00 1.26 H new ATOM 0 HA ASN A 42 -6.630 5.253 -16.088 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -6.287 7.647 -17.925 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -7.656 6.557 -18.020 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -7.360 9.344 -15.001 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -6.023 9.026 -16.111 1.00 3.37 H new ATOM 638 N PRO A 43 -5.176 3.612 -17.590 1.00 1.06 N ATOM 639 CA PRO A 43 -4.738 2.608 -18.580 1.00 1.66 C ATOM 640 C PRO A 43 -5.910 1.971 -19.338 1.00 1.29 C ATOM 641 O PRO A 43 -7.075 2.267 -19.058 1.00 1.26 O ATOM 642 CB PRO A 43 -4.006 1.550 -17.727 1.00 2.73 C ATOM 643 CG PRO A 43 -3.903 2.125 -16.353 1.00 2.76 C ATOM 644 CD PRO A 43 -5.054 3.074 -16.220 1.00 1.85 C ATOM 0 HA PRO A 43 -4.115 3.055 -19.355 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -4.557 0.609 -17.716 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -3.018 1.336 -18.135 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -3.953 1.342 -15.597 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -2.953 2.641 -16.215 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -5.964 2.567 -15.899 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -4.852 3.859 -15.491 1.00 1.85 H new ATOM 652 N THR A 44 -5.579 1.094 -20.302 1.00 1.26 N ATOM 653 CA THR A 44 -6.565 0.390 -21.130 1.00 1.00 C ATOM 654 C THR A 44 -7.562 -0.428 -20.301 1.00 0.85 C ATOM 655 O THR A 44 -7.358 -0.651 -19.103 1.00 0.89 O ATOM 656 CB THR A 44 -5.862 -0.568 -22.122 1.00 1.17 C ATOM 657 OG1 THR A 44 -4.447 -0.330 -22.150 1.00 1.51 O ATOM 658 CG2 THR A 44 -6.425 -0.397 -23.513 1.00 1.33 C ATOM 0 H THR A 44 -4.613 0.855 -20.527 1.00 1.26 H new ATOM 0 HA THR A 44 -7.113 1.165 -21.665 1.00 1.00 H new ATOM 0 HB THR A 44 -6.043 -1.588 -21.782 1.00 1.17 H new ATOM 0 HG1 THR A 44 -4.024 -0.948 -22.782 1.00 1.51 H new ATOM 0 HG21 THR A 44 -5.919 -1.078 -24.197 1.00 1.33 H new ATOM 0 HG22 THR A 44 -7.492 -0.619 -23.503 1.00 1.33 H new ATOM 0 HG23 THR A 44 -6.271 0.630 -23.844 1.00 1.33 H new ATOM 666 N GLU A 45 -8.640 -0.868 -20.966 1.00 0.76 N ATOM 667 CA GLU A 45 -9.686 -1.685 -20.339 1.00 0.72 C ATOM 668 C GLU A 45 -9.233 -3.136 -20.300 1.00 0.71 C ATOM 669 O GLU A 45 -9.706 -3.922 -19.489 1.00 0.70 O ATOM 670 CB GLU A 45 -11.015 -1.564 -21.094 1.00 0.79 C ATOM 671 CG GLU A 45 -11.724 -0.234 -20.884 1.00 0.85 C ATOM 672 CD GLU A 45 -13.065 -0.170 -21.589 1.00 1.41 C ATOM 673 OE1 GLU A 45 -13.103 0.279 -22.754 1.00 2.03 O ATOM 674 OE2 GLU A 45 -14.078 -0.570 -20.977 1.00 1.97 O ATOM 0 H GLU A 45 -8.810 -0.667 -21.952 1.00 0.76 H new ATOM 0 HA GLU A 45 -9.849 -1.323 -19.324 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -10.830 -1.702 -22.159 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -11.676 -2.371 -20.778 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -11.871 -0.069 -19.817 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -11.088 0.574 -21.247 1.00 0.85 H new ATOM 681 N ALA A 46 -8.385 -3.493 -21.264 1.00 0.75 N ATOM 682 CA ALA A 46 -7.781 -4.804 -21.328 1.00 0.78 C ATOM 683 C ALA A 46 -6.479 -4.825 -20.537 1.00 0.76 C ATOM 684 O ALA A 46 -5.979 -5.894 -20.212 1.00 0.77 O ATOM 685 CB ALA A 46 -7.556 -5.232 -22.771 1.00 0.90 C ATOM 0 H ALA A 46 -8.103 -2.871 -22.021 1.00 0.75 H new ATOM 0 HA ALA A 46 -8.466 -5.522 -20.877 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -7.100 -6.222 -22.790 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -8.511 -5.262 -23.295 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -6.895 -4.519 -23.263 1.00 0.90 H new ATOM 691 N GLU A 47 -5.934 -3.625 -20.233 1.00 0.77 N ATOM 692 CA GLU A 47 -4.672 -3.502 -19.463 1.00 0.81 C ATOM 693 C GLU A 47 -4.752 -4.179 -18.097 1.00 0.68 C ATOM 694 O GLU A 47 -3.739 -4.625 -17.576 1.00 0.62 O ATOM 695 CB GLU A 47 -4.267 -2.027 -19.303 1.00 0.95 C ATOM 696 CG GLU A 47 -2.758 -1.790 -19.253 1.00 1.30 C ATOM 697 CD GLU A 47 -2.106 -1.821 -20.625 1.00 1.55 C ATOM 698 OE1 GLU A 47 -1.939 -0.739 -21.228 1.00 2.16 O ATOM 699 OE2 GLU A 47 -1.762 -2.926 -21.094 1.00 2.13 O ATOM 0 H GLU A 47 -6.344 -2.732 -20.507 1.00 0.77 H new ATOM 0 HA GLU A 47 -3.905 -4.021 -20.038 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -4.685 -1.456 -20.132 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -4.715 -1.637 -18.389 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -2.563 -0.825 -18.786 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -2.297 -2.549 -18.621 1.00 1.30 H new ATOM 706 N LEU A 48 -5.954 -4.250 -17.541 1.00 0.66 N ATOM 707 CA LEU A 48 -6.198 -4.905 -16.266 1.00 0.59 C ATOM 708 C LEU A 48 -6.453 -6.386 -16.511 1.00 0.55 C ATOM 709 O LEU A 48 -6.046 -7.227 -15.709 1.00 0.56 O ATOM 710 CB LEU A 48 -7.339 -4.207 -15.518 1.00 0.61 C ATOM 711 CG LEU A 48 -8.288 -3.358 -16.366 1.00 0.76 C ATOM 712 CD1 LEU A 48 -9.340 -4.220 -16.989 1.00 0.87 C ATOM 713 CD2 LEU A 48 -8.925 -2.267 -15.545 1.00 1.24 C ATOM 0 H LEU A 48 -6.791 -3.852 -17.966 1.00 0.66 H new ATOM 0 HA LEU A 48 -5.324 -4.827 -15.620 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -7.927 -4.968 -15.005 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -6.904 -3.569 -14.749 1.00 0.61 H new ATOM 0 HG LEU A 48 -7.703 -2.887 -17.156 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.008 -3.602 -17.589 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -8.867 -4.968 -17.626 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -9.912 -4.719 -16.207 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -9.594 -1.681 -16.175 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -9.493 -2.711 -14.728 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -8.150 -1.619 -15.137 1.00 1.24 H new ATOM 725 N GLN A 49 -7.131 -6.702 -17.635 1.00 0.57 N ATOM 726 CA GLN A 49 -7.337 -8.093 -18.055 1.00 0.60 C ATOM 727 C GLN A 49 -5.985 -8.673 -18.495 1.00 0.59 C ATOM 728 O GLN A 49 -5.767 -9.886 -18.455 1.00 0.61 O ATOM 729 CB GLN A 49 -8.347 -8.188 -19.211 1.00 0.67 C ATOM 730 CG GLN A 49 -9.736 -7.648 -18.880 1.00 0.80 C ATOM 731 CD GLN A 49 -10.846 -8.570 -19.344 1.00 1.03 C ATOM 732 OE1 GLN A 49 -11.335 -8.457 -20.468 1.00 1.67 O ATOM 733 NE2 GLN A 49 -11.252 -9.489 -18.475 1.00 1.52 N ATOM 0 H GLN A 49 -7.542 -6.010 -18.262 1.00 0.57 H new ATOM 0 HA GLN A 49 -7.743 -8.660 -17.217 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -7.953 -7.642 -20.068 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -8.438 -9.231 -19.513 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -9.817 -7.501 -17.803 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -9.862 -6.671 -19.346 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -10.818 -9.547 -17.554 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -11.998 -10.137 -18.729 1.00 1.52 H new ATOM 742 N ASP A 50 -5.090 -7.756 -18.914 1.00 0.58 N ATOM 743 CA ASP A 50 -3.731 -8.087 -19.328 1.00 0.57 C ATOM 744 C ASP A 50 -2.802 -8.088 -18.114 1.00 0.49 C ATOM 745 O ASP A 50 -1.930 -8.953 -18.005 1.00 0.48 O ATOM 746 CB ASP A 50 -3.217 -7.109 -20.387 1.00 0.63 C ATOM 747 CG ASP A 50 -3.714 -7.450 -21.779 1.00 1.03 C ATOM 748 OD1 ASP A 50 -4.615 -6.745 -22.279 1.00 1.83 O ATOM 749 OD2 ASP A 50 -3.200 -8.424 -22.369 1.00 1.48 O ATOM 0 H ASP A 50 -5.301 -6.760 -18.971 1.00 0.58 H new ATOM 0 HA ASP A 50 -3.745 -9.082 -19.772 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -3.534 -6.099 -20.129 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -2.127 -7.113 -20.382 1.00 0.63 H new ATOM 754 N MET A 51 -2.975 -7.094 -17.200 1.00 0.45 N ATOM 755 CA MET A 51 -2.157 -7.044 -15.960 1.00 0.41 C ATOM 756 C MET A 51 -2.319 -8.330 -15.138 1.00 0.39 C ATOM 757 O MET A 51 -1.385 -8.740 -14.442 1.00 0.38 O ATOM 758 CB MET A 51 -2.446 -5.812 -15.066 1.00 0.41 C ATOM 759 CG MET A 51 -1.787 -4.526 -15.556 1.00 0.48 C ATOM 760 SD MET A 51 -0.129 -4.274 -14.881 1.00 1.31 S ATOM 761 CE MET A 51 0.864 -5.335 -15.931 1.00 1.31 C ATOM 0 H MET A 51 -3.653 -6.338 -17.294 1.00 0.45 H new ATOM 0 HA MET A 51 -1.126 -6.951 -16.301 1.00 0.41 H new ATOM 0 HB2 MET A 51 -3.524 -5.659 -15.012 1.00 0.41 H new ATOM 0 HB3 MET A 51 -2.103 -6.022 -14.053 1.00 0.41 H new ATOM 0 HG2 MET A 51 -1.730 -4.546 -16.644 1.00 0.48 H new ATOM 0 HG3 MET A 51 -2.415 -3.677 -15.286 1.00 0.48 H new ATOM 0 HE1 MET A 51 1.869 -4.922 -16.020 1.00 1.31 H new ATOM 0 HE2 MET A 51 0.919 -6.332 -15.493 1.00 1.31 H new ATOM 0 HE3 MET A 51 0.409 -5.398 -16.919 1.00 1.31 H new ATOM 771 N ILE A 52 -3.508 -8.962 -15.221 1.00 0.41 N ATOM 772 CA ILE A 52 -3.759 -10.222 -14.512 1.00 0.42 C ATOM 773 C ILE A 52 -3.303 -11.442 -15.340 1.00 0.46 C ATOM 774 O ILE A 52 -3.167 -12.540 -14.805 1.00 0.49 O ATOM 775 CB ILE A 52 -5.236 -10.422 -14.095 1.00 0.45 C ATOM 776 CG1 ILE A 52 -5.793 -9.155 -13.423 1.00 0.45 C ATOM 777 CG2 ILE A 52 -5.347 -11.616 -13.173 1.00 0.47 C ATOM 778 CD1 ILE A 52 -6.556 -9.342 -12.101 1.00 0.48 C ATOM 0 H ILE A 52 -4.299 -8.620 -15.768 1.00 0.41 H new ATOM 0 HA ILE A 52 -3.166 -10.148 -13.600 1.00 0.42 H new ATOM 0 HB ILE A 52 -5.832 -10.610 -14.988 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -4.961 -8.475 -13.240 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -6.459 -8.661 -14.131 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -6.388 -11.755 -12.881 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -4.993 -12.508 -13.689 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -4.740 -11.447 -12.284 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -6.894 -8.372 -11.736 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -7.418 -9.988 -12.267 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -5.897 -9.799 -11.362 1.00 0.48 H new ATOM 790 N ASN A 53 -3.050 -11.234 -16.635 1.00 0.49 N ATOM 791 CA ASN A 53 -2.654 -12.290 -17.554 1.00 0.56 C ATOM 792 C ASN A 53 -1.263 -12.830 -17.250 1.00 0.58 C ATOM 793 O ASN A 53 -1.065 -14.041 -17.141 1.00 0.65 O ATOM 794 CB ASN A 53 -2.658 -11.694 -18.938 1.00 0.58 C ATOM 795 CG ASN A 53 -3.503 -12.471 -19.928 1.00 0.65 C ATOM 796 OD1 ASN A 53 -3.019 -13.388 -20.591 1.00 1.27 O ATOM 797 ND2 ASN A 53 -4.775 -12.104 -20.035 1.00 1.35 N ATOM 0 H ASN A 53 -3.117 -10.316 -17.074 1.00 0.49 H new ATOM 0 HA ASN A 53 -3.349 -13.124 -17.459 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -3.027 -10.670 -18.883 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -1.633 -11.645 -19.307 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -5.392 -12.588 -20.687 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -5.134 -11.338 -19.466 1.00 1.35 H new ATOM 804 N GLU A 54 -0.307 -11.907 -17.137 1.00 0.55 N ATOM 805 CA GLU A 54 1.092 -12.263 -16.853 1.00 0.59 C ATOM 806 C GLU A 54 1.323 -12.660 -15.404 1.00 0.57 C ATOM 807 O GLU A 54 2.267 -13.399 -15.106 1.00 0.62 O ATOM 808 CB GLU A 54 2.044 -11.133 -17.258 1.00 0.61 C ATOM 809 CG GLU A 54 2.204 -10.973 -18.763 1.00 0.79 C ATOM 810 CD GLU A 54 3.137 -9.837 -19.134 1.00 1.15 C ATOM 811 OE1 GLU A 54 2.654 -8.694 -19.273 1.00 1.78 O ATOM 812 OE2 GLU A 54 4.350 -10.091 -19.285 1.00 1.82 O ATOM 0 H GLU A 54 -0.472 -10.905 -17.237 1.00 0.55 H new ATOM 0 HA GLU A 54 1.309 -13.142 -17.460 1.00 0.59 H new ATOM 0 HB2 GLU A 54 1.678 -10.195 -16.839 1.00 0.61 H new ATOM 0 HB3 GLU A 54 3.023 -11.319 -16.816 1.00 0.61 H new ATOM 0 HG2 GLU A 54 2.585 -11.903 -19.185 1.00 0.79 H new ATOM 0 HG3 GLU A 54 1.226 -10.796 -19.212 1.00 0.79 H new ATOM 819 N VAL A 55 0.472 -12.175 -14.518 1.00 0.50 N ATOM 820 CA VAL A 55 0.562 -12.530 -13.109 1.00 0.48 C ATOM 821 C VAL A 55 -0.690 -13.352 -12.776 1.00 0.48 C ATOM 822 O VAL A 55 -1.229 -13.304 -11.668 1.00 0.45 O ATOM 823 CB VAL A 55 0.711 -11.277 -12.184 1.00 0.44 C ATOM 824 CG1 VAL A 55 1.268 -11.674 -10.819 1.00 0.47 C ATOM 825 CG2 VAL A 55 1.616 -10.223 -12.817 1.00 0.48 C ATOM 0 H VAL A 55 -0.289 -11.535 -14.746 1.00 0.50 H new ATOM 0 HA VAL A 55 1.463 -13.116 -12.925 1.00 0.48 H new ATOM 0 HB VAL A 55 -0.283 -10.850 -12.055 1.00 0.44 H new ATOM 0 HG11 VAL A 55 1.363 -10.787 -10.193 1.00 0.47 H new ATOM 0 HG12 VAL A 55 0.592 -12.384 -10.343 1.00 0.47 H new ATOM 0 HG13 VAL A 55 2.247 -12.135 -10.946 1.00 0.47 H new ATOM 0 HG21 VAL A 55 1.699 -9.366 -12.149 1.00 0.48 H new ATOM 0 HG22 VAL A 55 2.606 -10.647 -12.987 1.00 0.48 H new ATOM 0 HG23 VAL A 55 1.191 -9.902 -13.768 1.00 0.48 H new ATOM 835 N ASP A 56 -1.103 -14.153 -13.779 1.00 0.55 N ATOM 836 CA ASP A 56 -2.314 -14.996 -13.709 1.00 0.60 C ATOM 837 C ASP A 56 -2.311 -16.054 -12.593 1.00 0.61 C ATOM 838 O ASP A 56 -1.507 -16.993 -12.603 1.00 0.65 O ATOM 839 CB ASP A 56 -2.569 -15.672 -15.075 1.00 0.75 C ATOM 840 CG ASP A 56 -1.420 -16.556 -15.554 1.00 0.98 C ATOM 841 OD1 ASP A 56 -0.285 -16.047 -15.670 1.00 1.58 O ATOM 842 OD2 ASP A 56 -1.662 -17.754 -15.813 1.00 1.87 O ATOM 0 H ASP A 56 -0.603 -14.234 -14.665 1.00 0.55 H new ATOM 0 HA ASP A 56 -3.124 -14.312 -13.455 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -3.474 -16.275 -15.007 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -2.756 -14.900 -15.822 1.00 0.75 H new ATOM 847 N ALA A 57 -3.221 -15.862 -11.625 1.00 0.59 N ATOM 848 CA ALA A 57 -3.413 -16.806 -10.519 1.00 0.62 C ATOM 849 C ALA A 57 -4.419 -17.868 -10.935 1.00 0.68 C ATOM 850 O ALA A 57 -4.193 -19.072 -10.783 1.00 0.74 O ATOM 851 CB ALA A 57 -3.909 -16.082 -9.276 1.00 0.60 C ATOM 0 H ALA A 57 -3.840 -15.052 -11.589 1.00 0.59 H new ATOM 0 HA ALA A 57 -2.458 -17.276 -10.284 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.045 -16.800 -8.467 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.178 -15.331 -8.976 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -4.860 -15.596 -9.493 1.00 0.60 H new ATOM 857 N ASP A 58 -5.528 -17.369 -11.460 1.00 0.68 N ATOM 858 CA ASP A 58 -6.619 -18.184 -11.967 1.00 0.75 C ATOM 859 C ASP A 58 -6.749 -17.959 -13.481 1.00 0.75 C ATOM 860 O ASP A 58 -7.292 -18.796 -14.207 1.00 0.83 O ATOM 861 CB ASP A 58 -7.897 -17.821 -11.190 1.00 0.77 C ATOM 862 CG ASP A 58 -9.181 -18.377 -11.793 1.00 0.90 C ATOM 863 OD1 ASP A 58 -10.040 -17.572 -12.206 1.00 1.36 O ATOM 864 OD2 ASP A 58 -9.321 -19.617 -11.850 1.00 1.62 O ATOM 0 H ASP A 58 -5.697 -16.367 -11.547 1.00 0.68 H new ATOM 0 HA ASP A 58 -6.434 -19.248 -11.818 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -7.802 -18.187 -10.168 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -7.977 -16.735 -11.134 1.00 0.77 H new ATOM 869 N GLY A 59 -6.235 -16.802 -13.922 1.00 0.68 N ATOM 870 CA GLY A 59 -6.194 -16.422 -15.326 1.00 0.68 C ATOM 871 C GLY A 59 -7.526 -16.122 -15.952 1.00 0.72 C ATOM 872 O GLY A 59 -7.628 -16.028 -17.180 1.00 0.75 O ATOM 0 H GLY A 59 -5.833 -16.101 -13.300 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -5.557 -15.543 -15.428 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -5.720 -17.226 -15.889 1.00 0.68 H new ATOM 876 N ASN A 60 -8.544 -15.974 -15.117 1.00 0.73 N ATOM 877 CA ASN A 60 -9.849 -15.592 -15.585 1.00 0.78 C ATOM 878 C ASN A 60 -9.962 -14.095 -15.374 1.00 0.72 C ATOM 879 O ASN A 60 -11.047 -13.500 -15.400 1.00 0.77 O ATOM 880 CB ASN A 60 -10.962 -16.362 -14.860 1.00 0.86 C ATOM 881 CG ASN A 60 -11.001 -17.830 -15.241 1.00 1.28 C ATOM 882 OD1 ASN A 60 -10.348 -18.664 -14.614 1.00 1.86 O ATOM 883 ND2 ASN A 60 -11.770 -18.152 -16.275 1.00 2.03 N ATOM 0 H ASN A 60 -8.481 -16.116 -14.109 1.00 0.73 H new ATOM 0 HA ASN A 60 -9.971 -15.840 -16.639 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -10.817 -16.274 -13.783 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -11.924 -15.905 -15.091 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -11.836 -19.124 -16.578 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -12.294 -17.428 -16.766 1.00 2.03 H new ATOM 890 N GLY A 61 -8.771 -13.508 -15.187 1.00 0.64 N ATOM 891 CA GLY A 61 -8.644 -12.096 -14.934 1.00 0.59 C ATOM 892 C GLY A 61 -8.687 -11.808 -13.455 1.00 0.56 C ATOM 893 O GLY A 61 -9.096 -10.732 -13.017 1.00 0.56 O ATOM 0 H GLY A 61 -7.883 -14.010 -15.210 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -7.706 -11.731 -15.353 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -9.448 -11.559 -15.437 1.00 0.59 H new ATOM 897 N THR A 62 -8.274 -12.811 -12.700 1.00 0.56 N ATOM 898 CA THR A 62 -8.266 -12.749 -11.252 1.00 0.54 C ATOM 899 C THR A 62 -6.928 -13.120 -10.659 1.00 0.50 C ATOM 900 O THR A 62 -6.259 -14.049 -11.122 1.00 0.51 O ATOM 901 CB THR A 62 -9.305 -13.671 -10.612 1.00 0.59 C ATOM 902 OG1 THR A 62 -9.739 -14.681 -11.534 1.00 0.65 O ATOM 903 CG2 THR A 62 -10.496 -12.877 -10.103 1.00 0.62 C ATOM 0 H THR A 62 -7.933 -13.695 -13.078 1.00 0.56 H new ATOM 0 HA THR A 62 -8.501 -11.708 -11.033 1.00 0.54 H new ATOM 0 HB THR A 62 -8.829 -14.163 -9.764 1.00 0.59 H new ATOM 0 HG1 THR A 62 -10.401 -15.258 -11.099 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.220 -13.556 -9.653 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.161 -12.157 -9.357 1.00 0.62 H new ATOM 0 HG23 THR A 62 -10.963 -12.348 -10.934 1.00 0.62 H new ATOM 911 N ILE A 63 -6.555 -12.373 -9.629 1.00 0.47 N ATOM 912 CA ILE A 63 -5.336 -12.593 -8.911 1.00 0.45 C ATOM 913 C ILE A 63 -5.652 -12.748 -7.421 1.00 0.46 C ATOM 914 O ILE A 63 -6.522 -12.068 -6.872 1.00 0.48 O ATOM 915 CB ILE A 63 -4.343 -11.442 -9.166 1.00 0.41 C ATOM 916 CG1 ILE A 63 -2.953 -11.960 -9.528 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.271 -10.532 -7.967 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.064 -10.887 -10.124 1.00 0.42 C ATOM 0 H ILE A 63 -7.106 -11.591 -9.275 1.00 0.47 H new ATOM 0 HA ILE A 63 -4.862 -13.509 -9.262 1.00 0.45 H new ATOM 0 HB ILE A 63 -4.713 -10.874 -10.019 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -2.477 -12.365 -8.635 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.050 -12.781 -10.238 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -3.565 -9.725 -8.164 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.257 -10.111 -7.770 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -3.938 -11.100 -7.098 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.089 -11.313 -10.362 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -2.522 -10.499 -11.034 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -1.941 -10.076 -9.406 1.00 0.42 H new ATOM 930 N ASP A 64 -4.963 -13.676 -6.815 1.00 0.48 N ATOM 931 CA ASP A 64 -5.103 -13.992 -5.400 1.00 0.51 C ATOM 932 C ASP A 64 -4.041 -13.247 -4.569 1.00 0.54 C ATOM 933 O ASP A 64 -3.342 -12.375 -5.095 1.00 0.54 O ATOM 934 CB ASP A 64 -4.984 -15.505 -5.229 1.00 0.57 C ATOM 935 CG ASP A 64 -6.269 -16.233 -5.576 1.00 0.65 C ATOM 936 OD1 ASP A 64 -6.437 -16.610 -6.755 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.106 -16.426 -4.670 1.00 1.33 O ATOM 0 H ASP A 64 -4.270 -14.252 -7.293 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.078 -13.664 -5.039 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.178 -15.876 -5.862 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.710 -15.730 -4.198 1.00 0.57 H new ATOM 942 N PHE A 65 -3.927 -13.592 -3.274 1.00 0.62 N ATOM 943 CA PHE A 65 -2.957 -12.950 -2.370 1.00 0.73 C ATOM 944 C PHE A 65 -1.483 -13.398 -2.612 1.00 0.78 C ATOM 945 O PHE A 65 -0.581 -12.576 -2.428 1.00 0.86 O ATOM 946 CB PHE A 65 -3.357 -13.156 -0.888 1.00 0.82 C ATOM 947 CG PHE A 65 -3.617 -14.587 -0.483 1.00 0.82 C ATOM 948 CD1 PHE A 65 -4.862 -15.163 -0.686 1.00 1.39 C ATOM 949 CD2 PHE A 65 -2.618 -15.348 0.102 1.00 1.51 C ATOM 950 CE1 PHE A 65 -5.103 -16.472 -0.314 1.00 1.43 C ATOM 951 CE2 PHE A 65 -2.854 -16.657 0.476 1.00 1.52 C ATOM 952 CZ PHE A 65 -4.098 -17.220 0.268 1.00 0.90 C ATOM 0 H PHE A 65 -4.496 -14.313 -2.830 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.992 -11.886 -2.604 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -2.565 -12.755 -0.256 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -4.253 -12.570 -0.686 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -5.652 -14.582 -1.140 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -1.643 -14.913 0.268 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -6.076 -16.910 -0.478 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -2.066 -17.240 0.931 1.00 1.52 H new ATOM 0 HZ PHE A 65 -4.285 -18.243 0.560 1.00 0.90 H new ATOM 962 N PRO A 66 -1.191 -14.684 -3.024 1.00 0.79 N ATOM 963 CA PRO A 66 0.196 -15.151 -3.254 1.00 0.89 C ATOM 964 C PRO A 66 0.807 -14.715 -4.599 1.00 0.79 C ATOM 965 O PRO A 66 2.031 -14.725 -4.747 1.00 0.82 O ATOM 966 CB PRO A 66 0.079 -16.687 -3.215 1.00 0.98 C ATOM 967 CG PRO A 66 -1.337 -16.990 -2.844 1.00 0.91 C ATOM 968 CD PRO A 66 -2.137 -15.793 -3.260 1.00 0.75 C ATOM 0 HA PRO A 66 0.861 -14.720 -2.505 1.00 0.89 H new ATOM 0 HB2 PRO A 66 0.329 -17.121 -4.183 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.771 -17.111 -2.488 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.689 -17.889 -3.349 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -1.430 -17.169 -1.773 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.443 -15.851 -4.305 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -3.046 -15.685 -2.668 1.00 0.75 H new ATOM 976 N GLU A 67 -0.038 -14.380 -5.584 1.00 0.69 N ATOM 977 CA GLU A 67 0.433 -13.955 -6.901 1.00 0.63 C ATOM 978 C GLU A 67 0.652 -12.446 -7.005 1.00 0.62 C ATOM 979 O GLU A 67 1.717 -12.016 -7.458 1.00 0.66 O ATOM 980 CB GLU A 67 -0.514 -14.438 -7.991 1.00 0.61 C ATOM 981 CG GLU A 67 -0.066 -15.727 -8.669 1.00 0.70 C ATOM 982 CD GLU A 67 1.000 -15.502 -9.728 1.00 1.12 C ATOM 983 OE1 GLU A 67 2.199 -15.521 -9.378 1.00 1.71 O ATOM 984 OE2 GLU A 67 0.634 -15.308 -10.906 1.00 1.94 O ATOM 0 H GLU A 67 -1.053 -14.397 -5.489 1.00 0.69 H new ATOM 0 HA GLU A 67 1.410 -14.418 -7.044 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.503 -14.591 -7.559 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -0.613 -13.657 -8.745 1.00 0.61 H new ATOM 0 HG2 GLU A 67 0.319 -16.413 -7.914 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -0.930 -16.209 -9.127 1.00 0.70 H new ATOM 991 N PHE A 68 -0.360 -11.642 -6.601 1.00 0.63 N ATOM 992 CA PHE A 68 -0.283 -10.169 -6.652 1.00 0.72 C ATOM 993 C PHE A 68 1.052 -9.587 -6.159 1.00 0.79 C ATOM 994 O PHE A 68 1.541 -8.599 -6.715 1.00 0.87 O ATOM 995 CB PHE A 68 -1.418 -9.538 -5.836 1.00 0.88 C ATOM 996 CG PHE A 68 -1.978 -8.253 -6.413 1.00 0.91 C ATOM 997 CD1 PHE A 68 -3.291 -7.896 -6.162 1.00 1.54 C ATOM 998 CD2 PHE A 68 -1.201 -7.404 -7.202 1.00 1.84 C ATOM 999 CE1 PHE A 68 -3.818 -6.733 -6.682 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -1.726 -6.243 -7.721 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.035 -5.906 -7.463 1.00 2.37 C ATOM 0 H PHE A 68 -1.244 -11.996 -6.234 1.00 0.63 H new ATOM 0 HA PHE A 68 -0.374 -9.921 -7.710 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.228 -10.262 -5.746 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.054 -9.339 -4.828 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -3.911 -8.536 -5.551 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -0.173 -7.662 -7.408 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -4.845 -6.468 -6.478 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -1.111 -5.597 -8.330 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.449 -4.996 -7.871 1.00 2.37 H new ATOM 1011 N LEU A 69 1.625 -10.202 -5.123 1.00 0.81 N ATOM 1012 CA LEU A 69 2.886 -9.726 -4.536 1.00 0.89 C ATOM 1013 C LEU A 69 4.130 -10.270 -5.202 1.00 0.84 C ATOM 1014 O LEU A 69 5.209 -9.753 -4.963 1.00 0.89 O ATOM 1015 CB LEU A 69 2.993 -10.039 -3.055 1.00 0.99 C ATOM 1016 CG LEU A 69 2.344 -11.345 -2.622 1.00 0.97 C ATOM 1017 CD1 LEU A 69 3.111 -12.535 -3.173 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.279 -11.430 -1.119 1.00 1.14 C ATOM 0 H LEU A 69 1.239 -11.031 -4.671 1.00 0.81 H new ATOM 0 HA LEU A 69 2.843 -8.649 -4.701 1.00 0.89 H new ATOM 0 HB2 LEU A 69 4.048 -10.067 -2.781 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.539 -9.222 -2.493 1.00 0.99 H new ATOM 0 HG LEU A 69 1.330 -11.366 -3.022 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.630 -13.459 -2.851 1.00 0.92 H new ATOM 0 HD12 LEU A 69 3.119 -12.490 -4.262 1.00 0.92 H new ATOM 0 HD13 LEU A 69 4.135 -12.511 -2.802 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.812 -12.371 -0.828 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.287 -11.383 -0.708 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.691 -10.598 -0.733 1.00 1.14 H new ATOM 1030 N THR A 70 4.001 -11.338 -5.991 1.00 0.78 N ATOM 1031 CA THR A 70 5.162 -11.942 -6.671 1.00 0.78 C ATOM 1032 C THR A 70 5.988 -10.870 -7.398 1.00 0.80 C ATOM 1033 O THR A 70 7.172 -11.071 -7.678 1.00 0.79 O ATOM 1034 CB THR A 70 4.709 -13.098 -7.613 1.00 0.80 C ATOM 1035 OG1 THR A 70 4.012 -14.085 -6.843 1.00 0.79 O ATOM 1036 CG2 THR A 70 5.882 -13.772 -8.327 1.00 0.88 C ATOM 0 H THR A 70 3.113 -11.804 -6.178 1.00 0.78 H new ATOM 0 HA THR A 70 5.818 -12.386 -5.922 1.00 0.78 H new ATOM 0 HB THR A 70 4.064 -12.660 -8.375 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.723 -14.814 -7.431 1.00 0.79 H new ATOM 0 HG21 THR A 70 5.508 -14.569 -8.969 1.00 0.88 H new ATOM 0 HG22 THR A 70 6.411 -13.036 -8.933 1.00 0.88 H new ATOM 0 HG23 THR A 70 6.565 -14.192 -7.588 1.00 0.88 H new ATOM 1044 N MET A 71 5.332 -9.746 -7.692 1.00 0.87 N ATOM 1045 CA MET A 71 5.978 -8.595 -8.283 1.00 0.96 C ATOM 1046 C MET A 71 6.540 -7.671 -7.204 1.00 0.97 C ATOM 1047 O MET A 71 7.534 -6.992 -7.447 1.00 1.00 O ATOM 1048 CB MET A 71 5.038 -7.836 -9.219 1.00 1.10 C ATOM 1049 CG MET A 71 4.780 -8.553 -10.532 1.00 1.15 C ATOM 1050 SD MET A 71 3.786 -7.577 -11.676 1.00 1.66 S ATOM 1051 CE MET A 71 4.409 -8.166 -13.248 1.00 1.68 C ATOM 0 H MET A 71 4.334 -9.618 -7.522 1.00 0.87 H new ATOM 0 HA MET A 71 6.809 -8.961 -8.885 1.00 0.96 H new ATOM 0 HB2 MET A 71 4.088 -7.672 -8.711 1.00 1.10 H new ATOM 0 HB3 MET A 71 5.462 -6.854 -9.428 1.00 1.10 H new ATOM 0 HG2 MET A 71 5.733 -8.796 -11.002 1.00 1.15 H new ATOM 0 HG3 MET A 71 4.274 -9.497 -10.332 1.00 1.15 H new ATOM 0 HE1 MET A 71 3.737 -7.852 -14.046 1.00 1.68 H new ATOM 0 HE2 MET A 71 5.401 -7.751 -13.425 1.00 1.68 H new ATOM 0 HE3 MET A 71 4.469 -9.254 -13.231 1.00 1.68 H new ATOM 1061 N MET A 72 5.895 -7.636 -6.015 1.00 0.99 N ATOM 1062 CA MET A 72 6.394 -6.824 -4.896 1.00 1.06 C ATOM 1063 C MET A 72 7.412 -7.656 -4.143 1.00 0.94 C ATOM 1064 O MET A 72 8.324 -7.130 -3.502 1.00 0.95 O ATOM 1065 CB MET A 72 5.269 -6.370 -3.955 1.00 1.23 C ATOM 1066 CG MET A 72 4.193 -5.509 -4.608 1.00 1.37 C ATOM 1067 SD MET A 72 4.856 -4.093 -5.510 1.00 2.19 S ATOM 1068 CE MET A 72 4.826 -4.728 -7.185 1.00 3.08 C ATOM 0 H MET A 72 5.040 -8.155 -5.813 1.00 0.99 H new ATOM 0 HA MET A 72 6.846 -5.914 -5.290 1.00 1.06 H new ATOM 0 HB2 MET A 72 4.796 -7.253 -3.526 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.709 -5.811 -3.129 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.611 -6.126 -5.292 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.508 -5.152 -3.839 1.00 1.37 H new ATOM 0 HE1 MET A 72 4.471 -3.951 -7.862 1.00 3.08 H new ATOM 0 HE2 MET A 72 5.831 -5.032 -7.477 1.00 3.08 H new ATOM 0 HE3 MET A 72 4.158 -5.588 -7.236 1.00 3.08 H new ATOM 1078 N ALA A 73 7.219 -8.977 -4.248 1.00 0.86 N ATOM 1079 CA ALA A 73 8.130 -9.959 -3.703 1.00 0.79 C ATOM 1080 C ALA A 73 9.321 -10.031 -4.644 1.00 0.71 C ATOM 1081 O ALA A 73 10.387 -10.537 -4.281 1.00 0.68 O ATOM 1082 CB ALA A 73 7.460 -11.319 -3.568 1.00 0.80 C ATOM 0 H ALA A 73 6.413 -9.386 -4.721 1.00 0.86 H new ATOM 0 HA ALA A 73 8.446 -9.670 -2.701 1.00 0.79 H new ATOM 0 HB1 ALA A 73 8.171 -12.035 -3.156 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.600 -11.237 -2.903 1.00 0.80 H new ATOM 0 HB3 ALA A 73 7.129 -11.660 -4.549 1.00 0.80 H new ATOM 1088 N ARG A 74 9.112 -9.510 -5.886 1.00 0.72 N ATOM 1089 CA ARG A 74 10.129 -9.427 -6.871 1.00 0.71 C ATOM 1090 C ARG A 74 11.063 -8.281 -6.516 1.00 0.73 C ATOM 1091 O ARG A 74 12.282 -8.415 -6.607 1.00 0.68 O ATOM 1092 CB ARG A 74 9.444 -9.182 -8.214 1.00 0.83 C ATOM 1093 CG ARG A 74 10.350 -8.694 -9.322 1.00 0.91 C ATOM 1094 CD ARG A 74 11.082 -9.824 -10.043 1.00 1.12 C ATOM 1095 NE ARG A 74 10.178 -10.651 -10.853 1.00 1.47 N ATOM 1096 CZ ARG A 74 10.540 -11.766 -11.504 1.00 1.90 C ATOM 1097 NH1 ARG A 74 11.793 -12.216 -11.456 1.00 2.18 N ATOM 1098 NH2 ARG A 74 9.638 -12.434 -12.209 1.00 2.55 N ATOM 0 H ARG A 74 8.211 -9.144 -6.194 1.00 0.72 H new ATOM 0 HA ARG A 74 10.719 -10.342 -6.923 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.970 -10.109 -8.536 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.648 -8.451 -8.069 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.758 -8.133 -10.046 1.00 0.91 H new ATOM 0 HG3 ARG A 74 11.083 -8.003 -8.905 1.00 0.91 H new ATOM 0 HD2 ARG A 74 11.855 -9.401 -10.684 1.00 1.12 H new ATOM 0 HD3 ARG A 74 11.586 -10.453 -9.309 1.00 1.12 H new ATOM 0 HE ARG A 74 9.204 -10.356 -10.926 1.00 1.47 H new ATOM 0 HH11 ARG A 74 12.496 -11.710 -10.917 1.00 2.18 H new ATOM 0 HH12 ARG A 74 12.049 -13.066 -11.958 1.00 2.18 H new ATOM 0 HH21 ARG A 74 8.676 -12.099 -12.254 1.00 2.55 H new ATOM 0 HH22 ARG A 74 9.906 -13.283 -12.707 1.00 2.55 H new ATOM 1112 N LYS A 75 10.459 -7.139 -6.133 1.00 0.86 N ATOM 1113 CA LYS A 75 11.197 -5.965 -5.697 1.00 0.95 C ATOM 1114 C LYS A 75 12.090 -6.326 -4.500 1.00 0.90 C ATOM 1115 O LYS A 75 12.982 -5.570 -4.111 1.00 0.96 O ATOM 1116 CB LYS A 75 10.215 -4.842 -5.368 1.00 1.19 C ATOM 1117 CG LYS A 75 9.051 -4.805 -6.349 1.00 1.28 C ATOM 1118 CD LYS A 75 9.447 -4.244 -7.698 1.00 1.40 C ATOM 1119 CE LYS A 75 8.283 -4.267 -8.673 1.00 2.25 C ATOM 1120 NZ LYS A 75 8.639 -3.653 -9.982 1.00 2.99 N ATOM 0 H LYS A 75 9.446 -7.017 -6.122 1.00 0.86 H new ATOM 0 HA LYS A 75 11.851 -5.612 -6.495 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.834 -4.977 -4.356 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.737 -3.885 -5.387 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.658 -5.813 -6.480 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.246 -4.201 -5.930 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.802 -3.221 -7.578 1.00 1.40 H new ATOM 0 HD3 LYS A 75 10.276 -4.823 -8.105 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.963 -5.297 -8.831 1.00 2.25 H new ATOM 0 HE3 LYS A 75 7.437 -3.733 -8.240 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 7.833 -3.735 -10.634 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 8.871 -2.649 -9.843 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 9.462 -4.146 -10.384 1.00 2.99 H new ATOM 1134 N MET A 76 11.784 -7.502 -3.918 1.00 0.85 N ATOM 1135 CA MET A 76 12.528 -8.082 -2.815 1.00 0.93 C ATOM 1136 C MET A 76 13.701 -8.891 -3.370 1.00 0.83 C ATOM 1137 O MET A 76 14.808 -8.830 -2.826 1.00 0.93 O ATOM 1138 CB MET A 76 11.642 -8.996 -1.954 1.00 1.07 C ATOM 1139 CG MET A 76 10.308 -8.384 -1.573 1.00 0.96 C ATOM 1140 SD MET A 76 9.257 -9.517 -0.644 1.00 1.64 S ATOM 1141 CE MET A 76 7.822 -8.485 -0.351 1.00 2.37 C ATOM 0 H MET A 76 10.995 -8.076 -4.217 1.00 0.85 H new ATOM 0 HA MET A 76 12.889 -7.270 -2.184 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.462 -9.925 -2.495 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.183 -9.257 -1.044 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.482 -7.487 -0.978 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.786 -8.071 -2.477 1.00 0.96 H new ATOM 0 HE1 MET A 76 7.401 -8.717 0.627 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.116 -7.436 -0.380 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.075 -8.674 -1.122 1.00 2.37 H new ATOM 1151 N LYS A 77 13.451 -9.657 -4.465 1.00 0.72 N ATOM 1152 CA LYS A 77 14.506 -10.455 -5.095 1.00 0.79 C ATOM 1153 C LYS A 77 15.383 -9.598 -6.032 1.00 0.78 C ATOM 1154 O LYS A 77 16.453 -10.029 -6.469 1.00 0.91 O ATOM 1155 CB LYS A 77 13.917 -11.694 -5.792 1.00 0.86 C ATOM 1156 CG LYS A 77 13.013 -11.445 -6.995 1.00 0.76 C ATOM 1157 CD LYS A 77 11.694 -12.212 -6.849 1.00 0.89 C ATOM 1158 CE LYS A 77 11.870 -13.730 -6.960 1.00 0.96 C ATOM 1159 NZ LYS A 77 10.572 -14.450 -6.837 1.00 1.75 N ATOM 0 H LYS A 77 12.539 -9.730 -4.915 1.00 0.72 H new ATOM 0 HA LYS A 77 15.170 -10.821 -4.312 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.744 -12.327 -6.114 1.00 0.86 H new ATOM 0 HB3 LYS A 77 13.350 -12.261 -5.054 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.811 -10.378 -7.090 1.00 0.76 H new ATOM 0 HG3 LYS A 77 13.521 -11.755 -7.908 1.00 0.76 H new ATOM 0 HD2 LYS A 77 11.246 -11.973 -5.885 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.997 -11.875 -7.617 1.00 0.89 H new ATOM 0 HE2 LYS A 77 12.331 -13.973 -7.918 1.00 0.96 H new ATOM 0 HE3 LYS A 77 12.551 -14.074 -6.182 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 10.734 -15.474 -6.917 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 10.144 -14.239 -5.913 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.930 -14.141 -7.595 1.00 1.75 H new ATOM 1173 N ASP A 78 14.894 -8.387 -6.320 1.00 0.74 N ATOM 1174 CA ASP A 78 15.594 -7.404 -7.149 1.00 0.79 C ATOM 1175 C ASP A 78 15.858 -6.157 -6.298 1.00 0.77 C ATOM 1176 O ASP A 78 14.923 -5.594 -5.726 1.00 0.80 O ATOM 1177 CB ASP A 78 14.743 -7.056 -8.380 1.00 0.84 C ATOM 1178 CG ASP A 78 15.560 -6.494 -9.531 1.00 1.19 C ATOM 1179 OD1 ASP A 78 16.460 -7.206 -10.026 1.00 1.66 O ATOM 1180 OD2 ASP A 78 15.293 -5.346 -9.941 1.00 1.92 O ATOM 0 H ASP A 78 13.990 -8.060 -5.979 1.00 0.74 H new ATOM 0 HA ASP A 78 16.542 -7.810 -7.502 1.00 0.79 H new ATOM 0 HB2 ASP A 78 14.220 -7.951 -8.717 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.982 -6.330 -8.094 1.00 0.84 H new ATOM 1185 N THR A 79 17.126 -5.722 -6.219 1.00 0.79 N ATOM 1186 CA THR A 79 17.494 -4.570 -5.390 1.00 0.82 C ATOM 1187 C THR A 79 17.333 -3.232 -6.101 1.00 0.73 C ATOM 1188 O THR A 79 17.985 -2.235 -5.763 1.00 0.78 O ATOM 1189 CB THR A 79 18.914 -4.687 -4.796 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.877 -4.867 -5.842 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.011 -5.838 -3.801 1.00 1.15 C ATOM 0 H THR A 79 17.907 -6.150 -6.717 1.00 0.79 H new ATOM 0 HA THR A 79 16.779 -4.591 -4.568 1.00 0.82 H new ATOM 0 HB THR A 79 19.126 -3.760 -4.264 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.774 -4.938 -5.453 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.024 -5.890 -3.403 1.00 1.15 H new ATOM 0 HG22 THR A 79 18.308 -5.673 -2.984 1.00 1.15 H new ATOM 0 HG23 THR A 79 18.770 -6.775 -4.303 1.00 1.15 H new ATOM 1199 N ASP A 80 16.437 -3.227 -7.070 1.00 0.66 N ATOM 1200 CA ASP A 80 16.092 -2.028 -7.821 1.00 0.67 C ATOM 1201 C ASP A 80 14.957 -1.285 -7.098 1.00 0.66 C ATOM 1202 O ASP A 80 14.401 -0.306 -7.605 1.00 0.74 O ATOM 1203 CB ASP A 80 15.684 -2.388 -9.255 1.00 0.77 C ATOM 1204 CG ASP A 80 16.877 -2.743 -10.123 1.00 1.18 C ATOM 1205 OD1 ASP A 80 17.448 -3.837 -9.929 1.00 1.72 O ATOM 1206 OD2 ASP A 80 17.238 -1.927 -10.997 1.00 1.86 O ATOM 0 H ASP A 80 15.923 -4.058 -7.362 1.00 0.66 H new ATOM 0 HA ASP A 80 16.963 -1.376 -7.879 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.991 -3.229 -9.233 1.00 0.77 H new ATOM 0 HB3 ASP A 80 15.151 -1.548 -9.700 1.00 0.77 H new ATOM 1211 N SER A 81 14.664 -1.771 -5.880 1.00 0.67 N ATOM 1212 CA SER A 81 13.603 -1.247 -5.014 1.00 0.75 C ATOM 1213 C SER A 81 13.945 0.115 -4.382 1.00 0.68 C ATOM 1214 O SER A 81 13.038 0.896 -4.080 1.00 0.76 O ATOM 1215 CB SER A 81 13.330 -2.279 -3.916 1.00 0.92 C ATOM 1216 OG SER A 81 12.377 -1.815 -2.971 1.00 1.07 O ATOM 0 H SER A 81 15.170 -2.554 -5.465 1.00 0.67 H new ATOM 0 HA SER A 81 12.721 -1.078 -5.631 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.970 -3.203 -4.369 1.00 0.92 H new ATOM 0 HB3 SER A 81 14.262 -2.517 -3.403 1.00 0.92 H new ATOM 0 HG SER A 81 12.231 -2.503 -2.289 1.00 1.07 H new ATOM 1222 N GLU A 82 15.246 0.394 -4.183 1.00 0.62 N ATOM 1223 CA GLU A 82 15.698 1.663 -3.576 1.00 0.63 C ATOM 1224 C GLU A 82 15.250 2.882 -4.401 1.00 0.57 C ATOM 1225 O GLU A 82 14.979 3.950 -3.844 1.00 0.58 O ATOM 1226 CB GLU A 82 17.225 1.665 -3.419 1.00 0.72 C ATOM 1227 CG GLU A 82 17.735 2.615 -2.339 1.00 0.78 C ATOM 1228 CD GLU A 82 19.248 2.618 -2.231 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.890 3.441 -2.916 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.789 1.798 -1.461 1.00 2.12 O ATOM 0 H GLU A 82 16.004 -0.241 -4.433 1.00 0.62 H new ATOM 0 HA GLU A 82 15.235 1.739 -2.592 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.558 0.654 -3.186 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.678 1.938 -4.372 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.388 3.625 -2.556 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.307 2.330 -1.378 1.00 0.78 H new ATOM 1237 N GLU A 83 15.179 2.699 -5.722 1.00 0.55 N ATOM 1238 CA GLU A 83 14.755 3.758 -6.645 1.00 0.58 C ATOM 1239 C GLU A 83 13.231 3.764 -6.823 1.00 0.59 C ATOM 1240 O GLU A 83 12.656 4.762 -7.268 1.00 0.65 O ATOM 1241 CB GLU A 83 15.436 3.572 -8.005 1.00 0.64 C ATOM 1242 CG GLU A 83 16.918 3.920 -8.005 1.00 0.71 C ATOM 1243 CD GLU A 83 17.558 3.748 -9.368 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.626 4.741 -10.122 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.991 2.619 -9.682 1.00 1.27 O ATOM 0 H GLU A 83 15.412 1.818 -6.181 1.00 0.55 H new ATOM 0 HA GLU A 83 15.052 4.716 -6.218 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.316 2.536 -8.322 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.927 4.192 -8.743 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.045 4.951 -7.676 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.435 3.289 -7.283 1.00 0.71 H new ATOM 1252 N GLU A 84 12.594 2.638 -6.470 1.00 0.60 N ATOM 1253 CA GLU A 84 11.138 2.472 -6.591 1.00 0.68 C ATOM 1254 C GLU A 84 10.381 2.980 -5.358 1.00 0.63 C ATOM 1255 O GLU A 84 9.214 3.355 -5.465 1.00 0.69 O ATOM 1256 CB GLU A 84 10.776 0.992 -6.813 1.00 0.80 C ATOM 1257 CG GLU A 84 11.484 0.321 -7.988 1.00 1.14 C ATOM 1258 CD GLU A 84 10.931 0.740 -9.339 1.00 1.74 C ATOM 1259 OE1 GLU A 84 10.204 -0.063 -9.958 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.224 1.873 -9.776 1.00 2.31 O ATOM 0 H GLU A 84 13.072 1.819 -6.094 1.00 0.60 H new ATOM 0 HA GLU A 84 10.835 3.071 -7.450 1.00 0.68 H new ATOM 0 HB2 GLU A 84 11.008 0.437 -5.904 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.699 0.916 -6.966 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.547 0.560 -7.948 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.397 -0.761 -7.887 1.00 1.14 H new ATOM 1267 N ILE A 85 11.055 2.998 -4.194 1.00 0.57 N ATOM 1268 CA ILE A 85 10.435 3.417 -2.923 1.00 0.54 C ATOM 1269 C ILE A 85 10.061 4.918 -2.890 1.00 0.50 C ATOM 1270 O ILE A 85 9.089 5.300 -2.232 1.00 0.50 O ATOM 1271 CB ILE A 85 11.345 3.021 -1.712 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.511 2.801 -0.448 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.447 4.041 -1.430 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.384 1.348 -0.055 1.00 0.57 C ATOM 0 H ILE A 85 12.034 2.726 -4.107 1.00 0.57 H new ATOM 0 HA ILE A 85 9.491 2.879 -2.840 1.00 0.54 H new ATOM 0 HB ILE A 85 11.831 2.088 -1.997 1.00 0.54 H new ATOM 0 HG12 ILE A 85 10.962 3.354 0.376 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.515 3.216 -0.603 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.042 3.708 -0.580 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.088 4.136 -2.307 1.00 0.57 H new ATOM 0 HG23 ILE A 85 11.998 5.008 -1.202 1.00 0.57 H new ATOM 0 HD11 ILE A 85 9.780 1.267 0.849 1.00 0.57 H new ATOM 0 HD12 ILE A 85 9.905 0.793 -0.862 1.00 0.57 H new ATOM 0 HD13 ILE A 85 11.375 0.934 0.132 1.00 0.57 H new ATOM 1286 N ARG A 86 10.836 5.746 -3.601 1.00 0.50 N ATOM 1287 CA ARG A 86 10.588 7.198 -3.661 1.00 0.50 C ATOM 1288 C ARG A 86 9.527 7.547 -4.712 1.00 0.52 C ATOM 1289 O ARG A 86 8.827 8.555 -4.580 1.00 0.53 O ATOM 1290 CB ARG A 86 11.888 7.977 -3.919 1.00 0.54 C ATOM 1291 CG ARG A 86 12.852 7.295 -4.870 1.00 1.10 C ATOM 1292 CD ARG A 86 14.018 8.202 -5.211 1.00 1.26 C ATOM 1293 NE ARG A 86 14.908 7.606 -6.213 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.113 8.089 -6.549 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.603 9.185 -5.970 1.00 1.78 N ATOM 1296 NH2 ARG A 86 16.830 7.471 -7.477 1.00 2.95 N ATOM 0 H ARG A 86 11.642 5.438 -4.145 1.00 0.50 H new ATOM 0 HA ARG A 86 10.202 7.498 -2.687 1.00 0.50 H new ATOM 0 HB2 ARG A 86 11.635 8.958 -4.320 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.393 8.142 -2.967 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.223 6.375 -4.418 1.00 1.10 H new ATOM 0 HG3 ARG A 86 12.328 7.013 -5.783 1.00 1.10 H new ATOM 0 HD2 ARG A 86 13.639 9.154 -5.584 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.585 8.418 -4.306 1.00 1.26 H new ATOM 0 HE ARG A 86 14.587 6.763 -6.689 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.059 9.672 -5.258 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.522 9.537 -6.239 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.464 6.634 -7.930 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.747 7.833 -7.738 1.00 2.95 H new ATOM 1310 N GLU A 87 9.420 6.704 -5.751 1.00 0.57 N ATOM 1311 CA GLU A 87 8.421 6.882 -6.816 1.00 0.63 C ATOM 1312 C GLU A 87 7.096 6.288 -6.363 1.00 0.62 C ATOM 1313 O GLU A 87 6.022 6.746 -6.761 1.00 0.65 O ATOM 1314 CB GLU A 87 8.888 6.226 -8.118 1.00 0.73 C ATOM 1315 CG GLU A 87 10.155 6.844 -8.694 1.00 0.77 C ATOM 1316 CD GLU A 87 10.644 6.124 -9.936 1.00 1.39 C ATOM 1317 OE1 GLU A 87 10.234 6.517 -11.049 1.00 2.08 O ATOM 1318 OE2 GLU A 87 11.436 5.169 -9.796 1.00 2.02 O ATOM 0 H GLU A 87 10.018 5.887 -5.876 1.00 0.57 H new ATOM 0 HA GLU A 87 8.293 7.947 -7.010 1.00 0.63 H new ATOM 0 HB2 GLU A 87 9.061 5.165 -7.938 1.00 0.73 H new ATOM 0 HB3 GLU A 87 8.090 6.298 -8.857 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.967 7.890 -8.936 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.939 6.828 -7.937 1.00 0.77 H new ATOM 1325 N ALA A 88 7.204 5.251 -5.519 1.00 0.60 N ATOM 1326 CA ALA A 88 6.052 4.606 -4.892 1.00 0.62 C ATOM 1327 C ALA A 88 5.498 5.554 -3.828 1.00 0.55 C ATOM 1328 O ALA A 88 4.364 5.414 -3.368 1.00 0.56 O ATOM 1329 CB ALA A 88 6.450 3.255 -4.318 1.00 0.70 C ATOM 0 H ALA A 88 8.098 4.838 -5.254 1.00 0.60 H new ATOM 0 HA ALA A 88 5.270 4.409 -5.625 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.582 2.787 -3.854 1.00 0.70 H new ATOM 0 HB2 ALA A 88 6.823 2.616 -5.118 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.230 3.393 -3.570 1.00 0.70 H new ATOM 1335 N PHE A 89 6.361 6.518 -3.451 1.00 0.51 N ATOM 1336 CA PHE A 89 6.026 7.583 -2.507 1.00 0.49 C ATOM 1337 C PHE A 89 5.267 8.675 -3.233 1.00 0.47 C ATOM 1338 O PHE A 89 4.273 9.202 -2.725 1.00 0.47 O ATOM 1339 CB PHE A 89 7.272 8.257 -1.934 1.00 0.51 C ATOM 1340 CG PHE A 89 7.112 8.679 -0.499 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.118 7.744 0.526 1.00 1.27 C ATOM 1342 CD2 PHE A 89 6.946 10.017 -0.179 1.00 1.19 C ATOM 1343 CE1 PHE A 89 6.960 8.138 1.839 1.00 1.29 C ATOM 1344 CE2 PHE A 89 6.790 10.413 1.132 1.00 1.22 C ATOM 1345 CZ PHE A 89 6.796 9.475 2.139 1.00 0.65 C ATOM 0 H PHE A 89 7.317 6.573 -3.801 1.00 0.51 H new ATOM 0 HA PHE A 89 5.447 7.121 -1.708 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.116 7.572 -2.012 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.514 9.131 -2.538 1.00 0.51 H new ATOM 0 HD1 PHE A 89 7.248 6.697 0.294 1.00 1.27 H new ATOM 0 HD2 PHE A 89 6.939 10.757 -0.965 1.00 1.19 H new ATOM 0 HE1 PHE A 89 6.965 7.402 2.630 1.00 1.29 H new ATOM 0 HE2 PHE A 89 6.663 11.459 1.369 1.00 1.22 H new ATOM 0 HZ PHE A 89 6.672 9.786 3.166 1.00 0.65 H new ATOM 1355 N ARG A 90 5.761 9.007 -4.446 1.00 0.50 N ATOM 1356 CA ARG A 90 5.167 10.054 -5.267 1.00 0.54 C ATOM 1357 C ARG A 90 3.721 9.722 -5.640 1.00 0.54 C ATOM 1358 O ARG A 90 2.959 10.587 -6.075 1.00 0.60 O ATOM 1359 CB ARG A 90 5.995 10.270 -6.533 1.00 0.62 C ATOM 1360 CG ARG A 90 7.275 11.054 -6.307 1.00 1.26 C ATOM 1361 CD ARG A 90 8.125 11.069 -7.562 1.00 1.50 C ATOM 1362 NE ARG A 90 9.403 11.762 -7.357 1.00 2.03 N ATOM 1363 CZ ARG A 90 10.342 11.928 -8.300 1.00 2.50 C ATOM 1364 NH1 ARG A 90 10.171 11.456 -9.534 1.00 2.61 N ATOM 1365 NH2 ARG A 90 11.462 12.572 -8.002 1.00 3.17 N ATOM 0 H ARG A 90 6.573 8.556 -4.868 1.00 0.50 H new ATOM 0 HA ARG A 90 5.162 10.972 -4.679 1.00 0.54 H new ATOM 0 HB2 ARG A 90 6.246 9.299 -6.961 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.385 10.794 -7.269 1.00 0.62 H new ATOM 0 HG2 ARG A 90 7.034 12.076 -6.013 1.00 1.26 H new ATOM 0 HG3 ARG A 90 7.838 10.611 -5.486 1.00 1.26 H new ATOM 0 HD2 ARG A 90 8.316 10.045 -7.882 1.00 1.50 H new ATOM 0 HD3 ARG A 90 7.574 11.556 -8.366 1.00 1.50 H new ATOM 0 HE ARG A 90 9.590 12.145 -6.430 1.00 2.03 H new ATOM 0 HH11 ARG A 90 9.314 10.958 -9.775 1.00 2.61 H new ATOM 0 HH12 ARG A 90 10.897 11.592 -10.237 1.00 2.61 H new ATOM 0 HH21 ARG A 90 11.605 12.937 -7.061 1.00 3.17 H new ATOM 0 HH22 ARG A 90 12.181 12.702 -8.714 1.00 3.17 H new ATOM 1379 N VAL A 91 3.385 8.440 -5.462 1.00 0.51 N ATOM 1380 CA VAL A 91 2.061 7.881 -5.719 1.00 0.53 C ATOM 1381 C VAL A 91 0.938 8.723 -5.064 1.00 0.54 C ATOM 1382 O VAL A 91 -0.062 9.046 -5.713 1.00 0.60 O ATOM 1383 CB VAL A 91 2.061 6.397 -5.235 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.467 6.199 -3.840 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.382 5.509 -6.253 1.00 0.59 C ATOM 0 H VAL A 91 4.050 7.744 -5.125 1.00 0.51 H new ATOM 0 HA VAL A 91 1.847 7.909 -6.787 1.00 0.53 H new ATOM 0 HB VAL A 91 3.107 6.105 -5.146 1.00 0.51 H new ATOM 0 HG11 VAL A 91 1.503 5.142 -3.576 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.042 6.774 -3.115 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.432 6.539 -3.834 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.391 4.478 -5.900 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.352 5.836 -6.392 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.913 5.572 -7.203 1.00 0.59 H new ATOM 1395 N PHE A 92 1.128 9.061 -3.779 1.00 0.49 N ATOM 1396 CA PHE A 92 0.189 9.877 -3.034 1.00 0.54 C ATOM 1397 C PHE A 92 0.777 11.254 -2.772 1.00 0.60 C ATOM 1398 O PHE A 92 0.059 12.257 -2.742 1.00 0.69 O ATOM 1399 CB PHE A 92 -0.222 9.215 -1.717 1.00 0.53 C ATOM 1400 CG PHE A 92 -1.635 8.697 -1.746 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -2.706 9.551 -1.518 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -1.894 7.365 -2.019 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -4.005 9.084 -1.565 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -3.193 6.892 -2.063 1.00 2.68 C ATOM 1405 CZ PHE A 92 -4.249 7.753 -1.838 1.00 2.89 C ATOM 0 H PHE A 92 1.942 8.770 -3.237 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.709 9.982 -3.643 1.00 0.54 H new ATOM 0 HB2 PHE A 92 0.459 8.392 -1.501 1.00 0.53 H new ATOM 0 HB3 PHE A 92 -0.119 9.935 -0.905 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -2.521 10.593 -1.301 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -1.073 6.687 -2.200 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -4.829 9.759 -1.388 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -3.381 5.850 -2.273 1.00 2.68 H new ATOM 0 HZ PHE A 92 -5.264 7.386 -1.876 1.00 2.89 H new ATOM 1415 N ALA A 93 2.105 11.278 -2.584 1.00 0.57 N ATOM 1416 CA ALA A 93 2.855 12.514 -2.322 1.00 0.66 C ATOM 1417 C ALA A 93 2.758 13.515 -3.488 1.00 0.85 C ATOM 1418 O ALA A 93 2.160 14.584 -3.339 1.00 1.63 O ATOM 1419 CB ALA A 93 4.316 12.194 -2.002 1.00 0.65 C ATOM 0 H ALA A 93 2.688 10.442 -2.609 1.00 0.57 H new ATOM 0 HA ALA A 93 2.399 12.992 -1.455 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.858 13.120 -1.810 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.364 11.556 -1.119 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.769 11.677 -2.848 1.00 0.65 H new ATOM 1425 N LYS A 94 3.349 13.153 -4.652 1.00 1.24 N ATOM 1426 CA LYS A 94 3.360 13.992 -5.883 1.00 1.42 C ATOM 1427 C LYS A 94 4.061 15.350 -5.702 1.00 1.36 C ATOM 1428 O LYS A 94 4.276 16.074 -6.681 1.00 1.78 O ATOM 1429 CB LYS A 94 1.933 14.207 -6.427 1.00 1.75 C ATOM 1430 CG LYS A 94 1.282 12.946 -6.986 1.00 2.06 C ATOM 1431 CD LYS A 94 1.611 12.742 -8.460 1.00 2.52 C ATOM 1432 CE LYS A 94 0.948 11.489 -9.010 1.00 2.90 C ATOM 1433 NZ LYS A 94 1.246 11.291 -10.455 1.00 3.37 N ATOM 0 H LYS A 94 3.836 12.264 -4.768 1.00 1.24 H new ATOM 0 HA LYS A 94 3.946 13.429 -6.609 1.00 1.42 H new ATOM 0 HB2 LYS A 94 1.307 14.602 -5.627 1.00 1.75 H new ATOM 0 HB3 LYS A 94 1.965 14.964 -7.210 1.00 1.75 H new ATOM 0 HG2 LYS A 94 1.619 12.080 -6.416 1.00 2.06 H new ATOM 0 HG3 LYS A 94 0.201 13.009 -6.861 1.00 2.06 H new ATOM 0 HD2 LYS A 94 1.281 13.610 -9.031 1.00 2.52 H new ATOM 0 HD3 LYS A 94 2.691 12.669 -8.586 1.00 2.52 H new ATOM 0 HE2 LYS A 94 1.290 10.621 -8.447 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -0.131 11.557 -8.868 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 0.776 10.426 -10.791 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 0.897 12.108 -10.996 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 2.273 11.200 -10.588 1.00 3.37 H new ATOM 1447 N ASP A 95 4.420 15.680 -4.460 1.00 1.40 N ATOM 1448 CA ASP A 95 5.105 16.938 -4.147 1.00 1.71 C ATOM 1449 C ASP A 95 6.622 16.799 -4.325 1.00 1.53 C ATOM 1450 O ASP A 95 7.365 17.775 -4.168 1.00 1.84 O ATOM 1451 CB ASP A 95 4.780 17.377 -2.713 1.00 2.30 C ATOM 1452 CG ASP A 95 3.342 17.837 -2.555 1.00 2.81 C ATOM 1453 OD1 ASP A 95 2.480 16.992 -2.233 1.00 3.23 O ATOM 1454 OD2 ASP A 95 3.079 19.042 -2.753 1.00 3.21 O ATOM 0 H ASP A 95 4.246 15.088 -3.647 1.00 1.40 H new ATOM 0 HA ASP A 95 4.749 17.699 -4.842 1.00 1.71 H new ATOM 0 HB2 ASP A 95 4.969 16.548 -2.031 1.00 2.30 H new ATOM 0 HB3 ASP A 95 5.450 18.186 -2.424 1.00 2.30 H new ATOM 1459 N GLY A 96 7.068 15.578 -4.666 1.00 1.38 N ATOM 1460 CA GLY A 96 8.494 15.315 -4.859 1.00 1.83 C ATOM 1461 C GLY A 96 9.205 14.915 -3.573 1.00 1.85 C ATOM 1462 O GLY A 96 10.370 14.506 -3.604 1.00 2.43 O ATOM 0 H GLY A 96 6.464 14.769 -4.811 1.00 1.38 H new ATOM 0 HA2 GLY A 96 8.615 14.521 -5.596 1.00 1.83 H new ATOM 0 HA3 GLY A 96 8.970 16.206 -5.269 1.00 1.83 H new ATOM 1466 N ASN A 97 8.491 15.036 -2.446 1.00 1.55 N ATOM 1467 CA ASN A 97 9.012 14.696 -1.132 1.00 1.99 C ATOM 1468 C ASN A 97 7.915 14.016 -0.320 1.00 1.78 C ATOM 1469 O ASN A 97 8.107 12.909 0.189 1.00 2.66 O ATOM 1470 CB ASN A 97 9.542 15.941 -0.400 1.00 2.43 C ATOM 1471 CG ASN A 97 10.808 16.492 -1.029 1.00 3.41 C ATOM 1472 OD1 ASN A 97 10.755 17.345 -1.915 1.00 4.01 O ATOM 1473 ND2 ASN A 97 11.956 16.006 -0.572 1.00 4.00 N ATOM 0 H ASN A 97 7.529 15.376 -2.429 1.00 1.55 H new ATOM 0 HA ASN A 97 9.852 14.012 -1.252 1.00 1.99 H new ATOM 0 HB2 ASN A 97 8.773 16.714 -0.402 1.00 2.43 H new ATOM 0 HB3 ASN A 97 9.738 15.689 0.642 1.00 2.43 H new ATOM 0 HD21 ASN A 97 12.840 16.339 -0.957 1.00 4.00 H new ATOM 0 HD22 ASN A 97 11.954 15.300 0.164 1.00 4.00 H new ATOM 1480 N GLY A 98 6.764 14.699 -0.206 1.00 1.20 N ATOM 1481 CA GLY A 98 5.616 14.154 0.497 1.00 1.80 C ATOM 1482 C GLY A 98 5.652 14.325 2.001 1.00 1.46 C ATOM 1483 O GLY A 98 6.294 13.543 2.701 1.00 1.68 O ATOM 0 H GLY A 98 6.615 15.630 -0.596 1.00 1.20 H new ATOM 0 HA2 GLY A 98 4.713 14.629 0.113 1.00 1.80 H new ATOM 0 HA3 GLY A 98 5.539 13.091 0.268 1.00 1.80 H new ATOM 1487 N TYR A 99 4.948 15.348 2.485 1.00 1.07 N ATOM 1488 CA TYR A 99 4.836 15.616 3.917 1.00 0.84 C ATOM 1489 C TYR A 99 3.440 15.174 4.365 1.00 0.81 C ATOM 1490 O TYR A 99 2.565 15.994 4.676 1.00 0.96 O ATOM 1491 CB TYR A 99 5.079 17.104 4.218 1.00 1.07 C ATOM 1492 CG TYR A 99 6.508 17.549 3.993 1.00 1.57 C ATOM 1493 CD1 TYR A 99 7.445 17.485 5.017 1.00 2.28 C ATOM 1494 CD2 TYR A 99 6.918 18.035 2.758 1.00 2.37 C ATOM 1495 CE1 TYR A 99 8.750 17.892 4.816 1.00 3.13 C ATOM 1496 CE2 TYR A 99 8.222 18.444 2.549 1.00 3.24 C ATOM 1497 CZ TYR A 99 9.133 18.371 3.581 1.00 3.46 C ATOM 1498 OH TYR A 99 10.432 18.777 3.377 1.00 4.47 O ATOM 0 H TYR A 99 4.442 16.011 1.898 1.00 1.07 H new ATOM 0 HA TYR A 99 5.595 15.060 4.468 1.00 0.84 H new ATOM 0 HB2 TYR A 99 4.419 17.704 3.592 1.00 1.07 H new ATOM 0 HB3 TYR A 99 4.805 17.305 5.254 1.00 1.07 H new ATOM 0 HD1 TYR A 99 7.148 17.111 5.986 1.00 2.28 H new ATOM 0 HD2 TYR A 99 6.206 18.094 1.948 1.00 2.37 H new ATOM 0 HE1 TYR A 99 9.466 17.835 5.622 1.00 3.13 H new ATOM 0 HE2 TYR A 99 8.525 18.819 1.583 1.00 3.24 H new ATOM 0 HH TYR A 99 10.537 19.086 2.453 1.00 4.47 H new ATOM 1508 N ILE A 100 3.248 13.847 4.373 1.00 1.17 N ATOM 1509 CA ILE A 100 1.959 13.230 4.711 1.00 1.39 C ATOM 1510 C ILE A 100 1.685 13.201 6.225 1.00 1.13 C ATOM 1511 O ILE A 100 2.201 12.355 6.957 1.00 1.43 O ATOM 1512 CB ILE A 100 1.853 11.779 4.128 1.00 2.12 C ATOM 1513 CG1 ILE A 100 2.385 11.719 2.685 1.00 2.36 C ATOM 1514 CG2 ILE A 100 0.407 11.276 4.161 1.00 2.84 C ATOM 1515 CD1 ILE A 100 3.231 10.495 2.393 1.00 3.08 C ATOM 0 H ILE A 100 3.980 13.174 4.146 1.00 1.17 H new ATOM 0 HA ILE A 100 1.198 13.861 4.252 1.00 1.39 H new ATOM 0 HB ILE A 100 2.467 11.134 4.757 1.00 2.12 H new ATOM 0 HG12 ILE A 100 1.541 11.738 1.996 1.00 2.36 H new ATOM 0 HG13 ILE A 100 2.977 12.613 2.489 1.00 2.36 H new ATOM 0 HG21 ILE A 100 0.363 10.267 3.751 1.00 2.84 H new ATOM 0 HG22 ILE A 100 0.049 11.265 5.190 1.00 2.84 H new ATOM 0 HG23 ILE A 100 -0.222 11.938 3.565 1.00 2.84 H new ATOM 0 HD11 ILE A 100 3.569 10.525 1.357 1.00 3.08 H new ATOM 0 HD12 ILE A 100 4.096 10.484 3.056 1.00 3.08 H new ATOM 0 HD13 ILE A 100 2.638 9.595 2.556 1.00 3.08 H new ATOM 1527 N SER A 101 0.874 14.168 6.663 1.00 0.79 N ATOM 1528 CA SER A 101 0.413 14.288 8.044 1.00 0.64 C ATOM 1529 C SER A 101 -0.579 13.230 8.430 1.00 0.64 C ATOM 1530 O SER A 101 -1.291 12.673 7.593 1.00 0.70 O ATOM 1531 CB SER A 101 -0.216 15.670 8.254 1.00 0.71 C ATOM 1532 OG SER A 101 -0.284 16.001 9.631 1.00 1.45 O ATOM 0 H SER A 101 0.514 14.902 6.054 1.00 0.79 H new ATOM 0 HA SER A 101 1.287 14.156 8.681 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.369 16.422 7.725 1.00 0.71 H new ATOM 0 HB3 SER A 101 -1.218 15.685 7.824 1.00 0.71 H new ATOM 0 HG SER A 101 -0.688 16.888 9.735 1.00 1.45 H new ATOM 1538 N ALA A 102 -0.561 12.940 9.734 1.00 0.72 N ATOM 1539 CA ALA A 102 -1.499 12.001 10.367 1.00 0.83 C ATOM 1540 C ALA A 102 -2.946 12.362 10.008 1.00 0.77 C ATOM 1541 O ALA A 102 -3.871 11.569 10.207 1.00 0.87 O ATOM 1542 CB ALA A 102 -1.324 12.039 11.877 1.00 1.01 C ATOM 0 H ALA A 102 0.107 13.351 10.386 1.00 0.72 H new ATOM 0 HA ALA A 102 -1.286 10.997 10.000 1.00 0.83 H new ATOM 0 HB1 ALA A 102 -2.021 11.342 12.342 1.00 1.01 H new ATOM 0 HB2 ALA A 102 -0.303 11.756 12.132 1.00 1.01 H new ATOM 0 HB3 ALA A 102 -1.522 13.047 12.241 1.00 1.01 H new ATOM 1548 N ALA A 103 -3.102 13.583 9.475 1.00 0.68 N ATOM 1549 CA ALA A 103 -4.405 14.115 9.064 1.00 0.71 C ATOM 1550 C ALA A 103 -4.763 13.713 7.628 1.00 0.64 C ATOM 1551 O ALA A 103 -5.938 13.737 7.249 1.00 0.71 O ATOM 1552 CB ALA A 103 -4.419 15.630 9.204 1.00 0.84 C ATOM 0 H ALA A 103 -2.327 14.227 9.318 1.00 0.68 H new ATOM 0 HA ALA A 103 -5.159 13.682 9.722 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -5.391 16.015 8.896 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -4.234 15.901 10.243 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -3.642 16.061 8.573 1.00 0.84 H new ATOM 1558 N GLU A 104 -3.740 13.344 6.836 1.00 0.59 N ATOM 1559 CA GLU A 104 -3.920 12.935 5.440 1.00 0.69 C ATOM 1560 C GLU A 104 -4.592 11.571 5.303 1.00 0.67 C ATOM 1561 O GLU A 104 -5.143 11.261 4.244 1.00 0.74 O ATOM 1562 CB GLU A 104 -2.597 12.954 4.704 1.00 0.85 C ATOM 1563 CG GLU A 104 -2.186 14.350 4.268 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.934 14.379 3.407 1.00 1.24 C ATOM 1565 OE1 GLU A 104 -0.866 13.617 2.416 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.027 15.181 3.714 1.00 1.65 O ATOM 0 H GLU A 104 -2.769 13.323 7.149 1.00 0.59 H new ATOM 0 HA GLU A 104 -4.592 13.662 4.985 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -1.822 12.536 5.347 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -2.665 12.310 3.827 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -3.007 14.804 3.714 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -2.021 14.964 5.154 1.00 0.99 H new ATOM 1573 N LEU A 105 -4.541 10.749 6.372 1.00 0.68 N ATOM 1574 CA LEU A 105 -5.202 9.439 6.386 1.00 0.80 C ATOM 1575 C LEU A 105 -6.701 9.572 6.193 1.00 0.68 C ATOM 1576 O LEU A 105 -7.395 8.618 5.829 1.00 0.69 O ATOM 1577 CB LEU A 105 -4.901 8.705 7.682 1.00 1.07 C ATOM 1578 CG LEU A 105 -3.796 7.669 7.566 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -2.641 8.022 8.478 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -4.340 6.285 7.876 1.00 1.81 C ATOM 0 H LEU A 105 -4.047 10.975 7.235 1.00 0.68 H new ATOM 0 HA LEU A 105 -4.807 8.860 5.552 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -4.623 9.434 8.443 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -5.810 8.214 8.028 1.00 1.07 H new ATOM 0 HG LEU A 105 -3.422 7.664 6.542 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -1.859 7.269 8.382 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -2.242 8.997 8.199 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -2.989 8.054 9.510 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -3.539 5.551 7.789 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -4.738 6.269 8.891 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -5.134 6.040 7.171 1.00 1.81 H new ATOM 1592 N ARG A 106 -7.162 10.779 6.449 1.00 0.65 N ATOM 1593 CA ARG A 106 -8.540 11.169 6.300 1.00 0.68 C ATOM 1594 C ARG A 106 -8.828 11.487 4.820 1.00 0.66 C ATOM 1595 O ARG A 106 -9.948 11.288 4.345 1.00 0.74 O ATOM 1596 CB ARG A 106 -8.736 12.381 7.205 1.00 0.79 C ATOM 1597 CG ARG A 106 -9.974 13.236 6.936 1.00 0.97 C ATOM 1598 CD ARG A 106 -10.081 14.387 7.922 1.00 1.46 C ATOM 1599 NE ARG A 106 -11.274 15.207 7.684 1.00 1.70 N ATOM 1600 CZ ARG A 106 -11.695 16.195 8.487 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -11.031 16.510 9.598 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -12.791 16.872 8.173 1.00 2.39 N ATOM 0 H ARG A 106 -6.564 11.537 6.777 1.00 0.65 H new ATOM 0 HA ARG A 106 -9.234 10.379 6.585 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -8.778 12.033 8.237 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -7.856 13.018 7.119 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -9.933 13.629 5.920 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -10.867 12.615 7.002 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -10.109 13.993 8.938 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -9.191 15.012 7.847 1.00 1.46 H new ATOM 0 HE ARG A 106 -11.823 15.011 6.847 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -10.187 15.996 9.850 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -11.367 17.265 10.196 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -13.308 16.640 7.325 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -13.117 17.625 8.779 1.00 2.39 H new ATOM 1616 N HIS A 107 -7.796 11.984 4.108 1.00 0.67 N ATOM 1617 CA HIS A 107 -7.917 12.320 2.686 1.00 0.82 C ATOM 1618 C HIS A 107 -7.655 11.100 1.792 1.00 0.87 C ATOM 1619 O HIS A 107 -8.296 10.948 0.749 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.946 13.452 2.333 1.00 0.94 C ATOM 1621 CG HIS A 107 -7.412 14.323 1.205 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -7.989 15.561 1.397 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -7.382 14.129 -0.136 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -8.294 16.090 0.225 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.936 15.241 -0.720 1.00 1.46 N ATOM 0 H HIS A 107 -6.871 12.159 4.501 1.00 0.67 H new ATOM 0 HA HIS A 107 -8.940 12.649 2.505 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -6.789 14.071 3.216 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.980 13.020 2.071 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -6.995 13.261 -0.649 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -8.757 17.053 0.067 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -8.052 15.388 -1.723 1.00 1.46 H new ATOM 1634 N VAL A 108 -6.711 10.236 2.207 1.00 0.90 N ATOM 1635 CA VAL A 108 -6.365 9.016 1.461 1.00 1.11 C ATOM 1636 C VAL A 108 -7.549 8.026 1.430 1.00 0.96 C ATOM 1637 O VAL A 108 -7.707 7.271 0.465 1.00 0.99 O ATOM 1638 CB VAL A 108 -5.101 8.312 2.060 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -4.839 6.954 1.414 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.856 9.182 1.915 1.00 0.86 C ATOM 0 H VAL A 108 -6.171 10.364 3.063 1.00 0.90 H new ATOM 0 HA VAL A 108 -6.136 9.323 0.441 1.00 1.11 H new ATOM 0 HB VAL A 108 -5.313 8.159 3.118 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -3.953 6.503 1.861 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -5.698 6.303 1.575 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -4.679 7.085 0.344 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -2.998 8.663 2.341 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -3.672 9.381 0.859 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -4.008 10.125 2.441 1.00 0.86 H new ATOM 1650 N MET A 109 -8.373 8.052 2.486 1.00 0.88 N ATOM 1651 CA MET A 109 -9.528 7.154 2.599 1.00 0.80 C ATOM 1652 C MET A 109 -10.765 7.716 1.898 1.00 0.72 C ATOM 1653 O MET A 109 -11.510 6.969 1.261 1.00 0.73 O ATOM 1654 CB MET A 109 -9.791 6.810 4.085 1.00 0.80 C ATOM 1655 CG MET A 109 -10.307 7.975 4.929 1.00 1.72 C ATOM 1656 SD MET A 109 -10.737 7.494 6.612 1.00 2.24 S ATOM 1657 CE MET A 109 -11.723 8.902 7.118 1.00 3.24 C ATOM 0 H MET A 109 -8.260 8.687 3.276 1.00 0.88 H new ATOM 0 HA MET A 109 -9.293 6.226 2.079 1.00 0.80 H new ATOM 0 HB2 MET A 109 -10.515 5.996 4.133 1.00 0.80 H new ATOM 0 HB3 MET A 109 -8.866 6.440 4.527 1.00 0.80 H new ATOM 0 HG2 MET A 109 -9.547 8.755 4.964 1.00 1.72 H new ATOM 0 HG3 MET A 109 -11.184 8.406 4.445 1.00 1.72 H new ATOM 0 HE1 MET A 109 -11.569 9.091 8.180 1.00 3.24 H new ATOM 0 HE2 MET A 109 -11.424 9.780 6.546 1.00 3.24 H new ATOM 0 HE3 MET A 109 -12.777 8.692 6.936 1.00 3.24 H new ATOM 1667 N THR A 110 -10.955 9.030 2.002 1.00 0.72 N ATOM 1668 CA THR A 110 -12.079 9.713 1.346 1.00 0.77 C ATOM 1669 C THR A 110 -11.756 9.870 -0.142 1.00 0.89 C ATOM 1670 O THR A 110 -12.650 10.137 -0.950 1.00 0.97 O ATOM 1671 CB THR A 110 -12.394 11.085 1.995 1.00 0.83 C ATOM 1672 OG1 THR A 110 -12.380 10.960 3.422 1.00 0.78 O ATOM 1673 CG2 THR A 110 -13.758 11.620 1.561 1.00 0.97 C ATOM 0 H THR A 110 -10.345 9.649 2.536 1.00 0.72 H new ATOM 0 HA THR A 110 -12.976 9.106 1.470 1.00 0.77 H new ATOM 0 HB THR A 110 -11.628 11.786 1.664 1.00 0.83 H new ATOM 0 HG1 THR A 110 -11.468 11.099 3.754 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.940 12.583 2.038 1.00 0.97 H new ATOM 0 HG22 THR A 110 -13.773 11.743 0.478 1.00 0.97 H new ATOM 0 HG23 THR A 110 -14.536 10.916 1.857 1.00 0.97 H new ATOM 1681 N ASN A 111 -10.455 9.723 -0.486 1.00 0.96 N ATOM 1682 CA ASN A 111 -10.012 9.729 -1.885 1.00 1.14 C ATOM 1683 C ASN A 111 -10.735 8.570 -2.579 1.00 1.13 C ATOM 1684 O ASN A 111 -11.048 8.624 -3.772 1.00 1.24 O ATOM 1685 CB ASN A 111 -8.490 9.557 -1.977 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.919 10.060 -3.292 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -7.818 9.312 -4.264 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -7.543 11.334 -3.325 1.00 1.85 N ATOM 0 H ASN A 111 -9.701 9.600 0.190 1.00 0.96 H new ATOM 0 HA ASN A 111 -10.249 10.679 -2.364 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -8.018 10.092 -1.153 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -8.240 8.503 -1.857 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -7.152 11.728 -4.181 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -7.645 11.918 -2.495 1.00 1.85 H new ATOM 1695 N LEU A 112 -10.982 7.519 -1.771 1.00 1.02 N ATOM 1696 CA LEU A 112 -11.754 6.356 -2.183 1.00 1.04 C ATOM 1697 C LEU A 112 -13.211 6.572 -1.739 1.00 0.95 C ATOM 1698 O LEU A 112 -14.134 5.928 -2.245 1.00 1.02 O ATOM 1699 CB LEU A 112 -11.184 5.079 -1.550 1.00 1.07 C ATOM 1700 CG LEU A 112 -9.811 4.640 -2.074 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -9.014 3.962 -0.971 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -9.964 3.705 -3.268 1.00 1.54 C ATOM 0 H LEU A 112 -10.644 7.465 -0.810 1.00 1.02 H new ATOM 0 HA LEU A 112 -11.704 6.238 -3.265 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -11.112 5.229 -0.473 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -11.892 4.266 -1.712 1.00 1.07 H new ATOM 0 HG LEU A 112 -9.270 5.528 -2.400 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -8.042 3.657 -1.359 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -8.872 4.658 -0.144 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -9.556 3.085 -0.618 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -8.978 3.406 -3.624 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -10.526 2.820 -2.968 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -10.498 4.220 -4.067 1.00 1.54 H new ATOM 1714 N GLY A 113 -13.379 7.504 -0.773 1.00 0.83 N ATOM 1715 CA GLY A 113 -14.690 7.872 -0.244 1.00 0.82 C ATOM 1716 C GLY A 113 -15.115 7.060 0.959 1.00 0.76 C ATOM 1717 O GLY A 113 -16.308 6.835 1.184 1.00 0.82 O ATOM 0 H GLY A 113 -12.605 8.014 -0.347 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -14.678 8.927 0.028 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -15.435 7.754 -1.031 1.00 0.82 H new ATOM 1721 N GLU A 114 -14.123 6.631 1.720 1.00 0.70 N ATOM 1722 CA GLU A 114 -14.306 5.826 2.923 1.00 0.70 C ATOM 1723 C GLU A 114 -14.933 6.623 4.057 1.00 0.73 C ATOM 1724 O GLU A 114 -14.683 7.824 4.203 1.00 0.73 O ATOM 1725 CB GLU A 114 -12.962 5.310 3.380 1.00 0.70 C ATOM 1726 CG GLU A 114 -12.483 4.075 2.633 1.00 0.79 C ATOM 1727 CD GLU A 114 -11.150 3.565 3.145 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -11.151 2.727 4.071 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -10.105 4.004 2.620 1.00 2.12 O ATOM 0 H GLU A 114 -13.145 6.835 1.517 1.00 0.70 H new ATOM 0 HA GLU A 114 -14.980 5.006 2.673 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -12.222 6.102 3.263 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -13.016 5.079 4.444 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -13.230 3.286 2.726 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -12.396 4.308 1.572 1.00 0.79 H new ATOM 1736 N LYS A 115 -15.743 5.933 4.846 1.00 0.82 N ATOM 1737 CA LYS A 115 -16.431 6.510 5.957 1.00 0.92 C ATOM 1738 C LYS A 115 -15.898 5.975 7.279 1.00 1.06 C ATOM 1739 O LYS A 115 -15.922 4.765 7.532 1.00 1.21 O ATOM 1740 CB LYS A 115 -17.908 6.221 5.811 1.00 1.04 C ATOM 1741 CG LYS A 115 -18.520 6.830 4.551 1.00 1.05 C ATOM 1742 CD LYS A 115 -19.803 6.117 4.135 1.00 1.31 C ATOM 1743 CE LYS A 115 -19.539 5.039 3.090 1.00 1.23 C ATOM 1744 NZ LYS A 115 -20.788 4.335 2.689 1.00 1.56 N ATOM 0 H LYS A 115 -15.934 4.939 4.717 1.00 0.82 H new ATOM 0 HA LYS A 115 -16.266 7.587 5.964 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -18.060 5.142 5.796 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -18.435 6.605 6.685 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -18.732 7.885 4.725 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -17.797 6.780 3.737 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -20.269 5.667 5.012 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -20.510 6.844 3.736 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -19.079 5.491 2.211 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -18.826 4.316 3.487 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -20.565 3.610 1.977 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -21.214 3.882 3.523 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -21.459 5.020 2.287 1.00 1.56 H new ATOM 1758 N LEU A 116 -15.409 6.892 8.106 1.00 1.10 N ATOM 1759 CA LEU A 116 -14.849 6.556 9.417 1.00 1.28 C ATOM 1760 C LEU A 116 -15.401 7.485 10.502 1.00 1.19 C ATOM 1761 O LEU A 116 -16.015 8.511 10.192 1.00 1.19 O ATOM 1762 CB LEU A 116 -13.314 6.627 9.362 1.00 1.54 C ATOM 1763 CG LEU A 116 -12.584 5.276 9.302 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -12.544 4.736 7.876 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -11.174 5.413 9.856 1.00 3.12 C ATOM 0 H LEU A 116 -15.388 7.889 7.890 1.00 1.10 H new ATOM 0 HA LEU A 116 -15.144 5.538 9.673 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -13.027 7.213 8.489 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -12.962 7.170 10.239 1.00 1.54 H new ATOM 0 HG LEU A 116 -13.137 4.565 9.916 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -12.022 3.779 7.864 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -13.562 4.599 7.510 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -12.020 5.444 7.234 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -10.669 4.448 9.807 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -10.620 6.143 9.265 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -11.221 5.746 10.893 1.00 3.12 H new ATOM 1777 N THR A 117 -15.176 7.120 11.772 1.00 1.15 N ATOM 1778 CA THR A 117 -15.648 7.923 12.906 1.00 1.08 C ATOM 1779 C THR A 117 -14.510 8.797 13.451 1.00 0.99 C ATOM 1780 O THR A 117 -13.350 8.626 13.063 1.00 0.98 O ATOM 1781 CB THR A 117 -16.221 7.036 14.043 1.00 1.04 C ATOM 1782 OG1 THR A 117 -16.655 5.771 13.524 1.00 1.34 O ATOM 1783 CG2 THR A 117 -17.396 7.721 14.733 1.00 1.40 C ATOM 0 H THR A 117 -14.671 6.275 12.038 1.00 1.15 H new ATOM 0 HA THR A 117 -16.453 8.560 12.540 1.00 1.08 H new ATOM 0 HB THR A 117 -15.424 6.879 14.770 1.00 1.04 H new ATOM 0 HG1 THR A 117 -17.012 5.223 14.254 1.00 1.34 H new ATOM 0 HG21 THR A 117 -17.778 7.077 15.525 1.00 1.40 H new ATOM 0 HG22 THR A 117 -17.065 8.667 15.162 1.00 1.40 H new ATOM 0 HG23 THR A 117 -18.186 7.909 14.006 1.00 1.40 H new ATOM 1791 N ASP A 118 -14.853 9.729 14.356 1.00 1.00 N ATOM 1792 CA ASP A 118 -13.871 10.648 14.963 1.00 1.00 C ATOM 1793 C ASP A 118 -12.874 9.920 15.878 1.00 0.90 C ATOM 1794 O ASP A 118 -11.690 10.268 15.904 1.00 0.96 O ATOM 1795 CB ASP A 118 -14.584 11.778 15.734 1.00 1.07 C ATOM 1796 CG ASP A 118 -15.612 11.283 16.746 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -16.791 11.126 16.366 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -15.232 11.054 17.914 1.00 2.05 O ATOM 0 H ASP A 118 -15.808 9.867 14.686 1.00 1.00 H new ATOM 0 HA ASP A 118 -13.298 11.084 14.145 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -13.837 12.378 16.254 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -15.079 12.435 15.020 1.00 1.07 H new ATOM 1803 N GLU A 119 -13.362 8.912 16.621 1.00 0.82 N ATOM 1804 CA GLU A 119 -12.520 8.128 17.527 1.00 0.81 C ATOM 1805 C GLU A 119 -11.684 7.103 16.769 1.00 0.77 C ATOM 1806 O GLU A 119 -10.577 6.763 17.198 1.00 0.78 O ATOM 1807 CB GLU A 119 -13.363 7.436 18.604 1.00 0.89 C ATOM 1808 CG GLU A 119 -13.912 8.383 19.660 1.00 1.11 C ATOM 1809 CD GLU A 119 -14.736 7.667 20.713 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -14.152 7.226 21.725 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -15.965 7.547 20.525 1.00 2.07 O ATOM 0 H GLU A 119 -14.340 8.624 16.608 1.00 0.82 H new ATOM 0 HA GLU A 119 -11.838 8.824 18.016 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -14.195 6.920 18.125 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -12.756 6.675 19.093 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -13.084 8.902 20.143 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -14.527 9.143 19.177 1.00 1.11 H new ATOM 1818 N GLU A 120 -12.226 6.611 15.645 1.00 0.77 N ATOM 1819 CA GLU A 120 -11.535 5.674 14.776 1.00 0.80 C ATOM 1820 C GLU A 120 -10.270 6.318 14.272 1.00 0.80 C ATOM 1821 O GLU A 120 -9.181 5.743 14.349 1.00 0.81 O ATOM 1822 CB GLU A 120 -12.414 5.360 13.572 1.00 0.97 C ATOM 1823 CG GLU A 120 -13.742 4.695 13.914 1.00 1.21 C ATOM 1824 CD GLU A 120 -13.646 3.182 13.952 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -13.854 2.547 12.897 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -13.361 2.632 15.037 1.00 1.93 O ATOM 0 H GLU A 120 -13.161 6.859 15.320 1.00 0.77 H new ATOM 0 HA GLU A 120 -11.311 4.762 15.330 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -12.614 6.286 13.033 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -11.861 4.710 12.894 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -14.086 5.058 14.882 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -14.491 4.989 13.179 1.00 1.21 H new ATOM 1833 N VAL A 121 -10.447 7.540 13.764 1.00 0.84 N ATOM 1834 CA VAL A 121 -9.356 8.318 13.257 1.00 0.92 C ATOM 1835 C VAL A 121 -8.579 8.985 14.369 1.00 0.88 C ATOM 1836 O VAL A 121 -7.458 9.376 14.148 1.00 0.93 O ATOM 1837 CB VAL A 121 -9.756 9.380 12.212 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -10.134 8.743 10.893 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -10.827 10.335 12.729 1.00 2.24 C ATOM 0 H VAL A 121 -11.355 8.001 13.701 1.00 0.84 H new ATOM 0 HA VAL A 121 -8.727 7.590 12.745 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.875 9.995 12.028 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -10.410 9.520 10.180 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -9.286 8.179 10.505 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -10.979 8.071 11.043 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -11.071 11.062 11.954 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -11.722 9.770 12.992 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -10.455 10.856 13.611 1.00 2.24 H new ATOM 1849 N ASP A 122 -9.173 9.123 15.567 1.00 0.86 N ATOM 1850 CA ASP A 122 -8.447 9.733 16.686 1.00 0.95 C ATOM 1851 C ASP A 122 -7.283 8.828 17.068 1.00 0.84 C ATOM 1852 O ASP A 122 -6.265 9.278 17.600 1.00 0.89 O ATOM 1853 CB ASP A 122 -9.376 9.996 17.880 1.00 1.08 C ATOM 1854 CG ASP A 122 -8.800 10.995 18.871 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -9.042 12.208 18.700 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -8.109 10.561 19.817 1.00 1.76 O ATOM 0 H ASP A 122 -10.126 8.829 15.779 1.00 0.86 H new ATOM 0 HA ASP A 122 -8.058 10.704 16.379 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -10.333 10.366 17.514 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -9.574 9.055 18.394 1.00 1.08 H new ATOM 1861 N GLU A 123 -7.476 7.544 16.780 1.00 0.75 N ATOM 1862 CA GLU A 123 -6.475 6.529 16.985 1.00 0.73 C ATOM 1863 C GLU A 123 -5.589 6.431 15.756 1.00 0.65 C ATOM 1864 O GLU A 123 -4.366 6.424 15.880 1.00 0.65 O ATOM 1865 CB GLU A 123 -7.127 5.178 17.308 1.00 0.78 C ATOM 1866 CG GLU A 123 -7.517 5.025 18.770 1.00 0.92 C ATOM 1867 CD GLU A 123 -8.153 3.681 19.065 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -9.394 3.578 18.967 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -7.411 2.732 19.394 1.00 1.87 O ATOM 0 H GLU A 123 -8.349 7.185 16.392 1.00 0.75 H new ATOM 0 HA GLU A 123 -5.857 6.806 17.839 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -8.016 5.055 16.689 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -6.438 4.378 17.039 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -6.632 5.149 19.393 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -8.212 5.819 19.042 1.00 0.92 H new ATOM 1876 N MET A 124 -6.215 6.386 14.565 1.00 0.63 N ATOM 1877 CA MET A 124 -5.470 6.340 13.299 1.00 0.64 C ATOM 1878 C MET A 124 -4.755 7.666 13.088 1.00 0.64 C ATOM 1879 O MET A 124 -3.774 7.744 12.342 1.00 0.67 O ATOM 1880 CB MET A 124 -6.366 6.030 12.088 1.00 0.70 C ATOM 1881 CG MET A 124 -7.231 4.786 12.241 1.00 1.18 C ATOM 1882 SD MET A 124 -8.090 4.345 10.718 1.00 2.12 S ATOM 1883 CE MET A 124 -8.978 2.881 11.242 1.00 2.40 C ATOM 0 H MET A 124 -7.229 6.381 14.456 1.00 0.63 H new ATOM 0 HA MET A 124 -4.750 5.525 13.374 1.00 0.64 H new ATOM 0 HB2 MET A 124 -7.014 6.887 11.904 1.00 0.70 H new ATOM 0 HB3 MET A 124 -5.735 5.912 11.207 1.00 0.70 H new ATOM 0 HG2 MET A 124 -6.606 3.950 12.556 1.00 1.18 H new ATOM 0 HG3 MET A 124 -7.963 4.952 13.031 1.00 1.18 H new ATOM 0 HE1 MET A 124 -9.559 2.489 10.407 1.00 2.40 H new ATOM 0 HE2 MET A 124 -8.268 2.125 11.576 1.00 2.40 H new ATOM 0 HE3 MET A 124 -9.649 3.136 12.062 1.00 2.40 H new ATOM 1893 N ILE A 125 -5.268 8.708 13.763 1.00 0.65 N ATOM 1894 CA ILE A 125 -4.684 10.030 13.710 1.00 0.70 C ATOM 1895 C ILE A 125 -3.490 10.069 14.671 1.00 0.66 C ATOM 1896 O ILE A 125 -2.468 10.698 14.384 1.00 0.68 O ATOM 1897 CB ILE A 125 -5.719 11.136 14.104 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -5.641 12.335 13.150 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -5.524 11.596 15.546 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -6.521 12.200 11.922 1.00 0.70 C ATOM 0 H ILE A 125 -6.096 8.643 14.355 1.00 0.65 H new ATOM 0 HA ILE A 125 -4.364 10.233 12.688 1.00 0.70 H new ATOM 0 HB ILE A 125 -6.711 10.692 14.020 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -5.925 13.237 13.692 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -4.607 12.467 12.832 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -6.259 12.364 15.785 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -5.652 10.748 16.219 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -4.521 12.005 15.665 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -6.411 13.086 11.297 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -6.223 11.317 11.356 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -7.562 12.099 12.230 1.00 0.70 H new ATOM 1912 N ARG A 126 -3.651 9.374 15.829 1.00 0.65 N ATOM 1913 CA ARG A 126 -2.612 9.337 16.848 1.00 0.68 C ATOM 1914 C ARG A 126 -1.551 8.303 16.574 1.00 0.64 C ATOM 1915 O ARG A 126 -0.492 8.276 17.209 1.00 0.69 O ATOM 1916 CB ARG A 126 -3.191 9.194 18.258 1.00 0.76 C ATOM 1917 CG ARG A 126 -3.752 10.490 18.823 1.00 1.02 C ATOM 1918 CD ARG A 126 -4.291 10.294 20.231 1.00 1.07 C ATOM 1919 NE ARG A 126 -4.820 11.540 20.797 1.00 1.63 N ATOM 1920 CZ ARG A 126 -5.247 11.685 22.060 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -5.217 10.666 22.918 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -5.707 12.860 22.465 1.00 2.58 N ATOM 0 H ARG A 126 -4.489 8.842 16.062 1.00 0.65 H new ATOM 0 HA ARG A 126 -2.114 10.305 16.798 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -3.981 8.443 18.242 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -2.412 8.824 18.925 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -2.972 11.252 18.833 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -4.548 10.857 18.175 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -5.078 9.540 20.216 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -3.497 9.913 20.873 1.00 1.07 H new ATOM 0 HE ARG A 126 -4.866 12.355 20.186 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -4.865 9.757 22.618 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -5.546 10.795 23.875 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -5.735 13.648 21.817 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -6.033 12.977 23.424 1.00 2.58 H new ATOM 1936 N GLU A 127 -1.863 7.468 15.619 1.00 0.59 N ATOM 1937 CA GLU A 127 -0.962 6.419 15.151 1.00 0.59 C ATOM 1938 C GLU A 127 0.132 7.047 14.280 1.00 0.59 C ATOM 1939 O GLU A 127 1.052 6.361 13.821 1.00 0.63 O ATOM 1940 CB GLU A 127 -1.732 5.369 14.344 1.00 0.61 C ATOM 1941 CG GLU A 127 -2.467 4.341 15.196 1.00 0.66 C ATOM 1942 CD GLU A 127 -3.231 3.333 14.358 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -2.647 2.287 14.007 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -4.414 3.591 14.054 1.00 2.06 O ATOM 0 H GLU A 127 -2.758 7.488 15.131 1.00 0.59 H new ATOM 0 HA GLU A 127 -0.510 5.927 16.012 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -2.454 5.877 13.704 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -1.035 4.848 13.688 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -1.749 3.816 15.826 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -3.160 4.855 15.862 1.00 0.66 H new ATOM 1951 N ALA A 128 0.013 8.379 14.073 1.00 0.59 N ATOM 1952 CA ALA A 128 0.956 9.128 13.231 1.00 0.64 C ATOM 1953 C ALA A 128 1.197 10.568 13.716 1.00 0.63 C ATOM 1954 O ALA A 128 2.020 11.283 13.130 1.00 0.65 O ATOM 1955 CB ALA A 128 0.448 9.147 11.795 1.00 0.72 C ATOM 0 H ALA A 128 -0.728 8.950 14.480 1.00 0.59 H new ATOM 0 HA ALA A 128 1.915 8.614 13.295 1.00 0.64 H new ATOM 0 HB1 ALA A 128 1.147 9.702 11.169 1.00 0.72 H new ATOM 0 HB2 ALA A 128 0.363 8.125 11.425 1.00 0.72 H new ATOM 0 HB3 ALA A 128 -0.530 9.627 11.761 1.00 0.72 H new ATOM 1961 N ALA A 129 0.502 10.997 14.786 1.00 0.67 N ATOM 1962 CA ALA A 129 0.655 12.363 15.310 1.00 0.72 C ATOM 1963 C ALA A 129 1.940 12.521 16.129 1.00 0.77 C ATOM 1964 O ALA A 129 2.065 11.959 17.225 1.00 0.86 O ATOM 1965 CB ALA A 129 -0.559 12.754 16.146 1.00 0.83 C ATOM 0 H ALA A 129 -0.165 10.421 15.300 1.00 0.67 H new ATOM 0 HA ALA A 129 0.727 13.034 14.454 1.00 0.72 H new ATOM 0 HB1 ALA A 129 -0.428 13.767 16.525 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -1.456 12.711 15.528 1.00 0.83 H new ATOM 0 HB3 ALA A 129 -0.662 12.064 16.983 1.00 0.83 H new ATOM 1971 N ILE A 130 2.899 13.276 15.575 1.00 0.77 N ATOM 1972 CA ILE A 130 4.158 13.531 16.230 1.00 0.87 C ATOM 1973 C ILE A 130 4.179 14.958 16.795 1.00 1.01 C ATOM 1974 O ILE A 130 3.906 15.922 16.074 1.00 1.27 O ATOM 1975 CB ILE A 130 5.357 13.256 15.255 1.00 0.91 C ATOM 1976 CG1 ILE A 130 5.749 14.460 14.338 1.00 1.07 C ATOM 1977 CG2 ILE A 130 5.102 11.999 14.413 1.00 1.28 C ATOM 1978 CD1 ILE A 130 4.703 14.904 13.324 1.00 1.57 C ATOM 0 H ILE A 130 2.809 13.720 14.661 1.00 0.77 H new ATOM 0 HA ILE A 130 4.271 12.845 17.070 1.00 0.87 H new ATOM 0 HB ILE A 130 6.217 13.096 15.906 1.00 0.91 H new ATOM 0 HG12 ILE A 130 5.991 15.311 14.975 1.00 1.07 H new ATOM 0 HG13 ILE A 130 6.659 14.197 13.798 1.00 1.07 H new ATOM 0 HG21 ILE A 130 5.947 11.830 13.746 1.00 1.28 H new ATOM 0 HG22 ILE A 130 4.982 11.138 15.071 1.00 1.28 H new ATOM 0 HG23 ILE A 130 4.195 12.134 13.823 1.00 1.28 H new ATOM 0 HD11 ILE A 130 5.089 15.745 12.747 1.00 1.57 H new ATOM 0 HD12 ILE A 130 4.474 14.077 12.651 1.00 1.57 H new ATOM 0 HD13 ILE A 130 3.796 15.208 13.846 1.00 1.57 H new ATOM 1990 N ASP A 131 4.500 15.078 18.103 1.00 1.22 N ATOM 1991 CA ASP A 131 4.553 16.365 18.839 1.00 1.45 C ATOM 1992 C ASP A 131 3.186 17.069 18.941 1.00 1.44 C ATOM 1993 O ASP A 131 2.867 17.672 19.970 1.00 1.64 O ATOM 1994 CB ASP A 131 5.604 17.286 18.218 1.00 1.64 C ATOM 1995 CG ASP A 131 6.195 18.273 19.211 1.00 2.27 C ATOM 1996 OD1 ASP A 131 7.208 17.932 19.857 1.00 2.70 O ATOM 1997 OD2 ASP A 131 5.643 19.386 19.341 1.00 2.90 O ATOM 0 H ASP A 131 4.733 14.274 18.686 1.00 1.22 H new ATOM 0 HA ASP A 131 4.842 16.130 19.864 1.00 1.45 H new ATOM 0 HB2 ASP A 131 6.406 16.680 17.797 1.00 1.64 H new ATOM 0 HB3 ASP A 131 5.153 17.837 17.392 1.00 1.64 H new ATOM 2002 N GLY A 132 2.406 16.978 17.872 1.00 1.31 N ATOM 2003 CA GLY A 132 1.081 17.585 17.821 1.00 1.35 C ATOM 2004 C GLY A 132 0.725 18.151 16.451 1.00 1.46 C ATOM 2005 O GLY A 132 -0.053 19.105 16.358 1.00 1.75 O ATOM 0 H GLY A 132 2.671 16.484 17.020 1.00 1.31 H new ATOM 0 HA2 GLY A 132 0.337 16.839 18.102 1.00 1.35 H new ATOM 0 HA3 GLY A 132 1.027 18.384 18.561 1.00 1.35 H new ATOM 2009 N ASP A 133 1.297 17.560 15.394 1.00 1.34 N ATOM 2010 CA ASP A 133 1.035 17.985 14.014 1.00 1.49 C ATOM 2011 C ASP A 133 0.727 16.765 13.142 1.00 1.37 C ATOM 2012 O ASP A 133 -0.315 16.712 12.482 1.00 1.69 O ATOM 2013 CB ASP A 133 2.228 18.771 13.447 1.00 1.52 C ATOM 2014 CG ASP A 133 2.415 20.118 14.121 1.00 1.94 C ATOM 2015 OD1 ASP A 133 1.831 21.111 13.636 1.00 2.14 O ATOM 2016 OD2 ASP A 133 3.144 20.180 15.132 1.00 2.60 O ATOM 0 H ASP A 133 1.949 16.780 15.471 1.00 1.34 H new ATOM 0 HA ASP A 133 0.169 18.646 14.012 1.00 1.49 H new ATOM 0 HB2 ASP A 133 3.136 18.181 13.566 1.00 1.52 H new ATOM 0 HB3 ASP A 133 2.083 18.921 12.377 1.00 1.52 H new ATOM 2021 N GLY A 134 1.649 15.793 13.153 1.00 1.04 N ATOM 2022 CA GLY A 134 1.477 14.556 12.402 1.00 1.15 C ATOM 2023 C GLY A 134 2.046 14.570 10.992 1.00 1.03 C ATOM 2024 O GLY A 134 2.086 13.515 10.356 1.00 1.25 O ATOM 0 H GLY A 134 2.522 15.846 13.678 1.00 1.04 H new ATOM 0 HA2 GLY A 134 1.946 13.744 12.958 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.412 14.330 12.345 1.00 1.15 H new ATOM 2028 N GLN A 135 2.498 15.737 10.489 1.00 0.84 N ATOM 2029 CA GLN A 135 3.068 15.810 9.128 1.00 0.77 C ATOM 2030 C GLN A 135 4.405 15.086 9.052 1.00 0.74 C ATOM 2031 O GLN A 135 5.379 15.475 9.705 1.00 0.80 O ATOM 2032 CB GLN A 135 3.162 17.248 8.592 1.00 0.80 C ATOM 2033 CG GLN A 135 3.764 18.273 9.553 1.00 1.03 C ATOM 2034 CD GLN A 135 3.810 19.669 8.963 1.00 1.40 C ATOM 2035 OE1 GLN A 135 4.792 20.055 8.328 1.00 2.05 O ATOM 2036 NE2 GLN A 135 2.745 20.435 9.171 1.00 1.98 N ATOM 0 H GLN A 135 2.481 16.624 10.992 1.00 0.84 H new ATOM 0 HA GLN A 135 2.370 15.293 8.469 1.00 0.77 H new ATOM 0 HB2 GLN A 135 3.758 17.238 7.679 1.00 0.80 H new ATOM 0 HB3 GLN A 135 2.161 17.580 8.316 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.179 18.290 10.473 1.00 1.03 H new ATOM 0 HG3 GLN A 135 4.774 17.963 9.823 1.00 1.03 H new ATOM 0 HE21 GLN A 135 1.953 20.074 9.703 1.00 1.98 H new ATOM 0 HE22 GLN A 135 2.719 21.384 8.799 1.00 1.98 H new ATOM 2045 N VAL A 136 4.424 14.024 8.243 1.00 0.69 N ATOM 2046 CA VAL A 136 5.623 13.184 8.100 1.00 0.68 C ATOM 2047 C VAL A 136 6.039 13.029 6.642 1.00 0.64 C ATOM 2048 O VAL A 136 5.204 12.792 5.770 1.00 0.67 O ATOM 2049 CB VAL A 136 5.456 11.775 8.737 1.00 0.75 C ATOM 2050 CG1 VAL A 136 6.404 11.619 9.914 1.00 0.91 C ATOM 2051 CG2 VAL A 136 4.017 11.499 9.179 1.00 0.88 C ATOM 0 H VAL A 136 3.629 13.724 7.678 1.00 0.69 H new ATOM 0 HA VAL A 136 6.407 13.711 8.643 1.00 0.68 H new ATOM 0 HB VAL A 136 5.702 11.043 7.968 1.00 0.75 H new ATOM 0 HG11 VAL A 136 6.279 10.629 10.353 1.00 0.91 H new ATOM 0 HG12 VAL A 136 7.432 11.737 9.571 1.00 0.91 H new ATOM 0 HG13 VAL A 136 6.182 12.379 10.663 1.00 0.91 H new ATOM 0 HG21 VAL A 136 3.956 10.503 9.617 1.00 0.88 H new ATOM 0 HG22 VAL A 136 3.715 12.240 9.919 1.00 0.88 H new ATOM 0 HG23 VAL A 136 3.354 11.558 8.316 1.00 0.88 H new ATOM 2061 N ASN A 137 7.350 13.144 6.403 1.00 0.63 N ATOM 2062 CA ASN A 137 7.920 13.058 5.060 1.00 0.62 C ATOM 2063 C ASN A 137 8.412 11.630 4.725 1.00 0.59 C ATOM 2064 O ASN A 137 8.093 10.671 5.433 1.00 0.59 O ATOM 2065 CB ASN A 137 9.051 14.096 4.954 1.00 0.66 C ATOM 2066 CG ASN A 137 9.288 14.585 3.534 1.00 0.80 C ATOM 2067 OD1 ASN A 137 10.299 14.030 2.875 1.00 1.18 O flip ATOM 2068 ND2 ASN A 137 8.578 15.461 3.042 1.00 1.45 N flip ATOM 0 H ASN A 137 8.042 13.299 7.136 1.00 0.63 H new ATOM 0 HA ASN A 137 7.148 13.279 4.323 1.00 0.62 H new ATOM 0 HB2 ASN A 137 8.813 14.949 5.589 1.00 0.66 H new ATOM 0 HB3 ASN A 137 9.973 13.659 5.339 1.00 0.66 H new ATOM 0 HD21 ASN A 137 7.812 15.860 3.584 1.00 1.45 H new ATOM 0 HD22 ASN A 137 8.756 15.788 2.092 1.00 1.45 H new ATOM 2075 N TYR A 138 9.189 11.522 3.625 1.00 0.62 N ATOM 2076 CA TYR A 138 9.767 10.262 3.096 1.00 0.66 C ATOM 2077 C TYR A 138 10.422 9.358 4.168 1.00 0.61 C ATOM 2078 O TYR A 138 10.607 8.163 3.930 1.00 0.67 O ATOM 2079 CB TYR A 138 10.766 10.632 1.972 1.00 0.75 C ATOM 2080 CG TYR A 138 11.646 9.511 1.440 1.00 1.21 C ATOM 2081 CD1 TYR A 138 12.880 9.232 2.020 1.00 1.93 C ATOM 2082 CD2 TYR A 138 11.251 8.753 0.347 1.00 2.03 C ATOM 2083 CE1 TYR A 138 13.690 8.227 1.526 1.00 2.59 C ATOM 2084 CE2 TYR A 138 12.055 7.746 -0.151 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.273 7.487 0.442 1.00 2.81 C ATOM 2086 OH TYR A 138 14.076 6.486 -0.053 1.00 3.66 O ATOM 0 H TYR A 138 9.441 12.334 3.061 1.00 0.62 H new ATOM 0 HA TYR A 138 8.950 9.655 2.707 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.200 11.045 1.137 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.414 11.426 2.342 1.00 0.75 H new ATOM 0 HD1 TYR A 138 13.210 9.810 2.870 1.00 1.93 H new ATOM 0 HD2 TYR A 138 10.299 8.954 -0.122 1.00 2.03 H new ATOM 0 HE1 TYR A 138 14.645 8.023 1.988 1.00 2.59 H new ATOM 0 HE2 TYR A 138 11.731 7.164 -1.001 1.00 2.76 H new ATOM 0 HH TYR A 138 14.613 6.108 0.674 1.00 3.66 H new ATOM 2096 N GLU A 139 10.772 9.927 5.327 1.00 0.57 N ATOM 2097 CA GLU A 139 11.428 9.174 6.408 1.00 0.60 C ATOM 2098 C GLU A 139 10.535 8.080 7.034 1.00 0.54 C ATOM 2099 O GLU A 139 10.925 6.909 7.052 1.00 0.57 O ATOM 2100 CB GLU A 139 11.919 10.136 7.499 1.00 0.68 C ATOM 2101 CG GLU A 139 13.142 10.949 7.099 1.00 0.89 C ATOM 2102 CD GLU A 139 13.598 11.893 8.194 1.00 1.36 C ATOM 2103 OE1 GLU A 139 13.117 13.045 8.223 1.00 2.24 O ATOM 2104 OE2 GLU A 139 14.437 11.480 9.023 1.00 1.61 O ATOM 0 H GLU A 139 10.612 10.911 5.543 1.00 0.57 H new ATOM 0 HA GLU A 139 12.272 8.658 5.951 1.00 0.60 H new ATOM 0 HB2 GLU A 139 11.110 10.819 7.759 1.00 0.68 H new ATOM 0 HB3 GLU A 139 12.153 9.563 8.396 1.00 0.68 H new ATOM 0 HG2 GLU A 139 13.957 10.271 6.846 1.00 0.89 H new ATOM 0 HG3 GLU A 139 12.914 11.523 6.201 1.00 0.89 H new ATOM 2111 N GLU A 140 9.349 8.460 7.540 1.00 0.51 N ATOM 2112 CA GLU A 140 8.446 7.506 8.205 1.00 0.52 C ATOM 2113 C GLU A 140 7.441 6.822 7.275 1.00 0.47 C ATOM 2114 O GLU A 140 7.208 5.618 7.414 1.00 0.49 O ATOM 2115 CB GLU A 140 7.703 8.195 9.353 1.00 0.59 C ATOM 2116 CG GLU A 140 8.551 8.386 10.602 1.00 1.02 C ATOM 2117 CD GLU A 140 7.772 8.995 11.752 1.00 1.31 C ATOM 2118 OE1 GLU A 140 8.023 10.174 12.081 1.00 1.91 O ATOM 2119 OE2 GLU A 140 6.912 8.293 12.324 1.00 2.02 O ATOM 0 H GLU A 140 8.995 9.416 7.501 1.00 0.51 H new ATOM 0 HA GLU A 140 9.090 6.712 8.582 1.00 0.52 H new ATOM 0 HB2 GLU A 140 7.349 9.168 9.013 1.00 0.59 H new ATOM 0 HB3 GLU A 140 6.822 7.607 9.609 1.00 0.59 H new ATOM 0 HG2 GLU A 140 8.955 7.422 10.912 1.00 1.02 H new ATOM 0 HG3 GLU A 140 9.401 9.026 10.365 1.00 1.02 H new ATOM 2126 N PHE A 141 6.842 7.569 6.335 1.00 0.45 N ATOM 2127 CA PHE A 141 5.830 6.994 5.425 1.00 0.43 C ATOM 2128 C PHE A 141 6.412 5.972 4.431 1.00 0.41 C ATOM 2129 O PHE A 141 5.657 5.227 3.799 1.00 0.44 O ATOM 2130 CB PHE A 141 5.057 8.101 4.706 1.00 0.45 C ATOM 2131 CG PHE A 141 3.689 8.333 5.291 1.00 0.69 C ATOM 2132 CD1 PHE A 141 3.514 9.204 6.355 1.00 1.33 C ATOM 2133 CD2 PHE A 141 2.579 7.675 4.784 1.00 1.55 C ATOM 2134 CE1 PHE A 141 2.262 9.413 6.901 1.00 1.59 C ATOM 2135 CE2 PHE A 141 1.324 7.884 5.328 1.00 1.88 C ATOM 2136 CZ PHE A 141 1.167 8.753 6.386 1.00 1.54 C ATOM 0 H PHE A 141 7.035 8.559 6.183 1.00 0.45 H new ATOM 0 HA PHE A 141 5.134 6.433 6.049 1.00 0.43 H new ATOM 0 HB2 PHE A 141 5.629 9.027 4.754 1.00 0.45 H new ATOM 0 HB3 PHE A 141 4.957 7.842 3.652 1.00 0.45 H new ATOM 0 HD1 PHE A 141 4.367 9.726 6.762 1.00 1.33 H new ATOM 0 HD2 PHE A 141 2.695 6.992 3.956 1.00 1.55 H new ATOM 0 HE1 PHE A 141 2.141 10.093 7.731 1.00 1.59 H new ATOM 0 HE2 PHE A 141 0.467 7.366 4.923 1.00 1.88 H new ATOM 0 HZ PHE A 141 0.188 8.917 6.811 1.00 1.54 H new ATOM 2146 N VAL A 142 7.750 5.942 4.301 1.00 0.42 N ATOM 2147 CA VAL A 142 8.438 4.960 3.443 1.00 0.44 C ATOM 2148 C VAL A 142 8.603 3.666 4.210 1.00 0.46 C ATOM 2149 O VAL A 142 8.626 2.587 3.617 1.00 0.48 O ATOM 2150 CB VAL A 142 9.823 5.464 2.988 1.00 0.48 C ATOM 2151 CG1 VAL A 142 10.948 4.455 3.245 1.00 0.53 C ATOM 2152 CG2 VAL A 142 9.801 5.878 1.521 1.00 0.50 C ATOM 0 H VAL A 142 8.378 6.588 4.780 1.00 0.42 H new ATOM 0 HA VAL A 142 7.831 4.805 2.551 1.00 0.44 H new ATOM 0 HB VAL A 142 10.042 6.339 3.601 1.00 0.48 H new ATOM 0 HG11 VAL A 142 11.895 4.871 2.902 1.00 0.53 H new ATOM 0 HG12 VAL A 142 11.010 4.243 4.312 1.00 0.53 H new ATOM 0 HG13 VAL A 142 10.740 3.532 2.703 1.00 0.53 H new ATOM 0 HG21 VAL A 142 10.790 6.229 1.227 1.00 0.50 H new ATOM 0 HG22 VAL A 142 9.522 5.023 0.906 1.00 0.50 H new ATOM 0 HG23 VAL A 142 9.075 6.679 1.380 1.00 0.50 H new ATOM 2162 N GLN A 143 8.737 3.800 5.544 1.00 0.49 N ATOM 2163 CA GLN A 143 8.888 2.659 6.439 1.00 0.54 C ATOM 2164 C GLN A 143 7.764 1.656 6.208 1.00 0.52 C ATOM 2165 O GLN A 143 7.936 0.454 6.430 1.00 0.57 O ATOM 2166 CB GLN A 143 8.893 3.136 7.887 1.00 0.59 C ATOM 2167 CG GLN A 143 9.665 2.235 8.844 1.00 0.64 C ATOM 2168 CD GLN A 143 9.660 2.755 10.268 1.00 0.89 C ATOM 2169 OE1 GLN A 143 10.539 3.520 10.665 1.00 1.62 O ATOM 2170 NE2 GLN A 143 8.667 2.340 11.045 1.00 1.55 N ATOM 0 H GLN A 143 8.742 4.702 6.020 1.00 0.49 H new ATOM 0 HA GLN A 143 9.836 2.164 6.230 1.00 0.54 H new ATOM 0 HB2 GLN A 143 9.321 4.138 7.925 1.00 0.59 H new ATOM 0 HB3 GLN A 143 7.863 3.216 8.234 1.00 0.59 H new ATOM 0 HG2 GLN A 143 9.231 1.235 8.825 1.00 0.64 H new ATOM 0 HG3 GLN A 143 10.695 2.142 8.499 1.00 0.64 H new ATOM 0 HE21 GLN A 143 7.960 1.706 10.674 1.00 1.55 H new ATOM 0 HE22 GLN A 143 8.611 2.656 12.013 1.00 1.55 H new ATOM 2179 N MET A 144 6.608 2.181 5.766 1.00 0.49 N ATOM 2180 CA MET A 144 5.460 1.356 5.412 1.00 0.49 C ATOM 2181 C MET A 144 5.888 0.368 4.329 1.00 0.51 C ATOM 2182 O MET A 144 5.523 -0.810 4.372 1.00 0.58 O ATOM 2183 CB MET A 144 4.276 2.188 4.859 1.00 0.52 C ATOM 2184 CG MET A 144 3.920 3.454 5.632 1.00 0.93 C ATOM 2185 SD MET A 144 3.493 3.132 7.354 1.00 2.33 S ATOM 2186 CE MET A 144 3.411 4.800 8.001 1.00 3.20 C ATOM 0 H MET A 144 6.452 3.182 5.648 1.00 0.49 H new ATOM 0 HA MET A 144 5.125 0.853 6.319 1.00 0.49 H new ATOM 0 HB2 MET A 144 4.505 2.468 3.831 1.00 0.52 H new ATOM 0 HB3 MET A 144 3.394 1.548 4.826 1.00 0.52 H new ATOM 0 HG2 MET A 144 4.763 4.144 5.595 1.00 0.93 H new ATOM 0 HG3 MET A 144 3.081 3.949 5.142 1.00 0.93 H new ATOM 0 HE1 MET A 144 3.087 4.771 9.041 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.396 5.262 7.941 1.00 3.20 H new ATOM 0 HE3 MET A 144 2.700 5.383 7.415 1.00 3.20 H new ATOM 2196 N MET A 145 6.689 0.871 3.364 1.00 0.49 N ATOM 2197 CA MET A 145 7.159 0.042 2.257 1.00 0.56 C ATOM 2198 C MET A 145 8.528 -0.616 2.529 1.00 0.62 C ATOM 2199 O MET A 145 8.805 -1.684 1.975 1.00 0.75 O ATOM 2200 CB MET A 145 7.193 0.860 0.962 1.00 0.58 C ATOM 2201 CG MET A 145 7.224 0.010 -0.305 1.00 1.52 C ATOM 2202 SD MET A 145 7.553 0.981 -1.787 1.00 2.50 S ATOM 2203 CE MET A 145 8.337 -0.250 -2.824 1.00 3.22 C ATOM 0 H MET A 145 7.015 1.837 3.338 1.00 0.49 H new ATOM 0 HA MET A 145 6.447 -0.776 2.149 1.00 0.56 H new ATOM 0 HB2 MET A 145 6.318 1.509 0.931 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.070 1.507 0.975 1.00 0.58 H new ATOM 0 HG2 MET A 145 7.989 -0.759 -0.203 1.00 1.52 H new ATOM 0 HG3 MET A 145 6.269 -0.503 -0.417 1.00 1.52 H new ATOM 0 HE1 MET A 145 8.881 0.245 -3.629 1.00 3.22 H new ATOM 0 HE2 MET A 145 9.032 -0.840 -2.226 1.00 3.22 H new ATOM 0 HE3 MET A 145 7.577 -0.905 -3.249 1.00 3.22 H new ATOM 2213 N THR A 146 9.380 0.006 3.372 1.00 0.59 N ATOM 2214 CA THR A 146 10.711 -0.530 3.649 1.00 0.68 C ATOM 2215 C THR A 146 10.702 -1.658 4.687 1.00 0.78 C ATOM 2216 O THR A 146 11.582 -2.524 4.672 1.00 0.89 O ATOM 2217 CB THR A 146 11.673 0.567 4.140 1.00 0.69 C ATOM 2218 OG1 THR A 146 10.949 1.710 4.597 1.00 0.63 O ATOM 2219 CG2 THR A 146 12.647 0.983 3.045 1.00 0.71 C ATOM 0 H THR A 146 9.163 0.873 3.864 1.00 0.59 H new ATOM 0 HA THR A 146 11.055 -0.935 2.697 1.00 0.68 H new ATOM 0 HB THR A 146 12.243 0.150 4.970 1.00 0.69 H new ATOM 0 HG1 THR A 146 11.536 2.271 5.146 1.00 0.63 H new ATOM 0 HG21 THR A 146 13.312 1.759 3.425 1.00 0.71 H new ATOM 0 HG22 THR A 146 13.236 0.120 2.735 1.00 0.71 H new ATOM 0 HG23 THR A 146 12.091 1.368 2.190 1.00 0.71 H new ATOM 2227 N ALA A 147 9.707 -1.637 5.579 1.00 0.77 N ATOM 2228 CA ALA A 147 9.564 -2.647 6.618 1.00 0.88 C ATOM 2229 C ALA A 147 8.746 -3.842 6.134 1.00 0.94 C ATOM 2230 O ALA A 147 7.737 -3.673 5.442 1.00 0.91 O ATOM 2231 CB ALA A 147 8.932 -2.043 7.862 1.00 0.90 C ATOM 0 H ALA A 147 8.983 -0.919 5.597 1.00 0.77 H new ATOM 0 HA ALA A 147 10.562 -3.008 6.866 1.00 0.88 H new ATOM 0 HB1 ALA A 147 8.832 -2.811 8.629 1.00 0.90 H new ATOM 0 HB2 ALA A 147 9.563 -1.237 8.236 1.00 0.90 H new ATOM 0 HB3 ALA A 147 7.947 -1.648 7.614 1.00 0.90 H new ATOM 2237 N LYS A 148 9.194 -5.045 6.506 1.00 1.08 N ATOM 2238 CA LYS A 148 8.518 -6.288 6.120 1.00 1.19 C ATOM 2239 C LYS A 148 7.632 -6.807 7.255 1.00 1.63 C ATOM 2240 O LYS A 148 6.402 -6.879 7.055 1.00 2.21 O ATOM 2241 CB LYS A 148 9.520 -7.383 5.671 1.00 1.53 C ATOM 2242 CG LYS A 148 10.820 -7.466 6.482 1.00 2.17 C ATOM 2243 CD LYS A 148 11.862 -6.475 5.972 1.00 2.29 C ATOM 2244 CE LYS A 148 12.852 -7.131 5.018 1.00 3.11 C ATOM 2245 NZ LYS A 148 13.870 -6.163 4.522 1.00 3.56 N ATOM 2246 OXT LYS A 148 8.175 -7.127 8.336 1.00 2.14 O ATOM 0 H LYS A 148 10.027 -5.185 7.078 1.00 1.08 H new ATOM 0 HA LYS A 148 7.886 -6.051 5.264 1.00 1.19 H new ATOM 0 HB2 LYS A 148 9.020 -8.350 5.721 1.00 1.53 H new ATOM 0 HB3 LYS A 148 9.776 -7.210 4.626 1.00 1.53 H new ATOM 0 HG2 LYS A 148 10.608 -7.265 7.532 1.00 2.17 H new ATOM 0 HG3 LYS A 148 11.221 -8.478 6.426 1.00 2.17 H new ATOM 0 HD2 LYS A 148 11.361 -5.651 5.465 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.401 -6.048 6.818 1.00 2.29 H new ATOM 0 HE2 LYS A 148 13.352 -7.956 5.525 1.00 3.11 H new ATOM 0 HE3 LYS A 148 12.313 -7.557 4.172 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 14.525 -6.648 3.876 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 13.395 -5.388 4.016 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 14.402 -5.776 5.327 1.00 3.56 H new ATOM 2490 N LYS B 516 0.640 1.342 7.941 1.00 0.00 N ATOM 2491 CA LYS B 516 1.166 0.783 6.687 1.00 0.00 C ATOM 2492 C LYS B 516 0.121 -0.070 5.936 1.00 0.00 C ATOM 2493 O LYS B 516 0.163 -1.307 5.939 1.00 0.00 O ATOM 2494 CB LYS B 516 2.477 0.002 6.939 1.00 0.00 C ATOM 2495 CG LYS B 516 2.372 -1.149 7.941 1.00 0.00 C ATOM 2496 CD LYS B 516 3.698 -1.885 8.097 1.00 0.00 C ATOM 2497 CE LYS B 516 4.459 -1.419 9.330 1.00 0.00 C ATOM 2498 NZ LYS B 516 5.856 -1.931 9.348 1.00 0.00 N ATOM 0 HA LYS B 516 1.398 1.622 6.031 1.00 0.00 H new ATOM 0 HB2 LYS B 516 2.831 -0.397 5.988 1.00 0.00 H new ATOM 0 HB3 LYS B 516 3.235 0.701 7.293 1.00 0.00 H new ATOM 0 HG2 LYS B 516 2.055 -0.761 8.909 1.00 0.00 H new ATOM 0 HG3 LYS B 516 1.604 -1.849 7.612 1.00 0.00 H new ATOM 0 HD2 LYS B 516 3.513 -2.957 8.167 1.00 0.00 H new ATOM 0 HD3 LYS B 516 4.310 -1.724 7.209 1.00 0.00 H new ATOM 0 HE2 LYS B 516 4.472 -0.329 9.358 1.00 0.00 H new ATOM 0 HE3 LYS B 516 3.938 -1.755 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 6.479 -1.223 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 5.895 -2.814 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 6.171 -2.114 8.374 1.00 0.00 H new ATOM 2512 N VAL B 517 -0.828 0.632 5.311 1.00 0.00 N ATOM 2513 CA VAL B 517 -1.908 0.012 4.533 1.00 0.00 C ATOM 2514 C VAL B 517 -2.507 1.005 3.573 1.00 0.00 C ATOM 2515 O VAL B 517 -2.587 0.767 2.374 1.00 0.00 O ATOM 2516 CB VAL B 517 -3.038 -0.610 5.400 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -2.789 -2.089 5.557 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -3.169 0.062 6.767 1.00 0.00 C ATOM 0 H VAL B 517 -0.870 1.651 5.329 1.00 0.00 H new ATOM 0 HA VAL B 517 -1.439 -0.809 3.991 1.00 0.00 H new ATOM 0 HB VAL B 517 -3.984 -0.445 4.884 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -3.580 -2.529 6.165 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -2.780 -2.563 4.575 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -1.827 -2.246 6.045 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -3.973 -0.412 7.330 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -2.232 -0.042 7.315 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -3.395 1.120 6.632 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.911 2.122 4.128 1.00 0.00 N ATOM 2529 CA LEU B 518 -3.494 3.226 3.395 1.00 0.00 C ATOM 2530 C LEU B 518 -2.521 3.846 2.374 1.00 0.00 C ATOM 2531 O LEU B 518 -2.893 4.735 1.607 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.964 4.244 4.429 1.00 0.00 C ATOM 2533 CG LEU B 518 -5.233 3.859 5.239 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -6.193 3.000 4.420 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.866 3.124 6.525 1.00 0.00 C ATOM 0 H LEU B 518 -2.842 2.296 5.131 1.00 0.00 H new ATOM 0 HA LEU B 518 -4.331 2.872 2.794 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -3.149 4.421 5.131 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -4.156 5.188 3.919 1.00 0.00 H new ATOM 0 HG LEU B 518 -5.735 4.793 5.491 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -7.066 2.754 5.024 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -6.508 3.551 3.534 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -5.691 2.081 4.117 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -5.775 2.868 7.070 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -4.321 2.213 6.280 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -4.240 3.766 7.145 1.00 0.00 H new ATOM 2547 N VAL B 519 -1.283 3.347 2.376 1.00 0.00 N ATOM 2548 CA VAL B 519 -0.237 3.781 1.456 1.00 0.00 C ATOM 2549 C VAL B 519 0.495 2.540 0.970 1.00 0.00 C ATOM 2550 O VAL B 519 0.900 2.468 -0.191 1.00 0.00 O ATOM 2551 CB VAL B 519 0.749 4.804 2.099 1.00 0.00 C ATOM 2552 CG1 VAL B 519 1.778 5.312 1.081 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.000 6.002 2.672 1.00 0.00 C ATOM 0 H VAL B 519 -0.978 2.622 3.025 1.00 0.00 H new ATOM 0 HA VAL B 519 -0.695 4.310 0.620 1.00 0.00 H new ATOM 0 HB VAL B 519 1.267 4.277 2.900 1.00 0.00 H new ATOM 0 HG11 VAL B 519 2.448 6.023 1.565 1.00 0.00 H new ATOM 0 HG12 VAL B 519 2.356 4.471 0.698 1.00 0.00 H new ATOM 0 HG13 VAL B 519 1.262 5.803 0.256 1.00 0.00 H new ATOM 0 HG21 VAL B 519 0.712 6.699 3.114 1.00 0.00 H new ATOM 0 HG22 VAL B 519 -0.550 6.502 1.875 1.00 0.00 H new ATOM 0 HG23 VAL B 519 -0.698 5.663 3.437 1.00 0.00 H new ATOM 2563 N LYS B 520 0.663 1.563 1.879 1.00 0.00 N ATOM 2564 CA LYS B 520 1.278 0.291 1.556 1.00 0.00 C ATOM 2565 C LYS B 520 0.459 -0.473 0.524 1.00 0.00 C ATOM 2566 O LYS B 520 1.000 -1.270 -0.248 1.00 0.00 O ATOM 2567 CB LYS B 520 1.421 -0.540 2.816 1.00 0.00 C ATOM 2568 CG LYS B 520 2.829 -1.069 3.015 1.00 0.00 C ATOM 2569 CD LYS B 520 3.445 -1.613 1.716 1.00 0.00 C ATOM 2570 CE LYS B 520 4.035 -3.002 1.910 1.00 0.00 C ATOM 2571 NZ LYS B 520 4.584 -3.554 0.641 1.00 0.00 N ATOM 0 H LYS B 520 0.372 1.646 2.853 1.00 0.00 H new ATOM 0 HA LYS B 520 2.262 0.486 1.129 1.00 0.00 H new ATOM 0 HB2 LYS B 520 1.140 0.065 3.678 1.00 0.00 H new ATOM 0 HB3 LYS B 520 0.725 -1.378 2.774 1.00 0.00 H new ATOM 0 HG2 LYS B 520 3.461 -0.272 3.406 1.00 0.00 H new ATOM 0 HG3 LYS B 520 2.813 -1.860 3.765 1.00 0.00 H new ATOM 0 HD2 LYS B 520 2.682 -1.647 0.938 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.223 -0.933 1.370 1.00 0.00 H new ATOM 0 HE2 LYS B 520 4.825 -2.959 2.659 1.00 0.00 H new ATOM 0 HE3 LYS B 520 3.267 -3.672 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 4.976 -4.501 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 3.825 -3.619 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 5.335 -2.928 0.286 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.855 -0.215 0.530 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.773 -0.814 -0.429 1.00 0.00 C ATOM 2587 C ALA B 521 -1.758 0.009 -1.719 1.00 0.00 C ATOM 2588 O ALA B 521 -2.601 -0.144 -2.612 1.00 0.00 O ATOM 2589 CB ALA B 521 -3.165 -0.893 0.162 1.00 0.00 C ATOM 0 H ALA B 521 -1.303 0.412 1.198 1.00 0.00 H new ATOM 0 HA ALA B 521 -1.457 -1.831 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.843 -1.342 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -3.143 -1.503 1.065 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -3.512 0.110 0.411 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.742 0.870 -1.778 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.497 1.776 -2.877 1.00 0.00 C ATOM 2597 C VAL B 522 0.976 1.676 -3.308 1.00 0.00 C ATOM 2598 O VAL B 522 1.309 2.011 -4.448 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.856 3.259 -2.550 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -1.222 4.013 -3.826 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -2.002 3.365 -1.545 1.00 0.00 C ATOM 0 H VAL B 522 -0.050 0.951 -1.033 1.00 0.00 H new ATOM 0 HA VAL B 522 -1.155 1.471 -3.691 1.00 0.00 H new ATOM 0 HB VAL B 522 0.028 3.709 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.470 5.046 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.376 3.997 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -2.082 3.536 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -2.217 4.415 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.890 2.883 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -1.717 2.872 -0.615 1.00 0.00 H new ATOM 2611 N LEU B 523 1.857 1.213 -2.384 1.00 0.00 N ATOM 2612 CA LEU B 523 3.275 1.029 -2.686 1.00 0.00 C ATOM 2613 C LEU B 523 3.466 -0.376 -3.248 1.00 0.00 C ATOM 2614 O LEU B 523 4.521 -0.713 -3.790 1.00 0.00 O ATOM 2615 CB LEU B 523 4.134 1.209 -1.427 1.00 0.00 C ATOM 2616 CG LEU B 523 4.099 2.610 -0.797 1.00 0.00 C ATOM 2617 CD1 LEU B 523 3.905 2.537 0.712 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.356 3.398 -1.132 1.00 0.00 C ATOM 0 H LEU B 523 1.598 0.965 -1.429 1.00 0.00 H new ATOM 0 HA LEU B 523 3.590 1.778 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU B 523 3.808 0.485 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.167 0.967 -1.676 1.00 0.00 H new ATOM 0 HG LEU B 523 3.244 3.133 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU B 523 3.885 3.545 1.125 1.00 0.00 H new ATOM 0 HD12 LEU B 523 2.963 2.035 0.934 1.00 0.00 H new ATOM 0 HD13 LEU B 523 4.728 1.978 1.158 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.300 4.385 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.230 2.869 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.440 3.506 -2.213 1.00 0.00 H new ATOM 2630 N PHE B 524 2.405 -1.183 -3.094 1.00 0.00 N ATOM 2631 CA PHE B 524 2.371 -2.557 -3.569 1.00 0.00 C ATOM 2632 C PHE B 524 1.814 -2.643 -5.003 1.00 0.00 C ATOM 2633 O PHE B 524 1.991 -3.660 -5.680 1.00 0.00 O ATOM 2634 CB PHE B 524 1.561 -3.418 -2.571 1.00 0.00 C ATOM 2635 CG PHE B 524 0.365 -4.131 -3.145 1.00 0.00 C ATOM 2636 CD1 PHE B 524 0.491 -5.411 -3.646 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -0.875 -3.518 -3.179 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -0.601 -6.075 -4.173 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.972 -4.173 -3.705 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.835 -5.455 -4.202 1.00 0.00 C ATOM 0 H PHE B 524 1.545 -0.889 -2.632 1.00 0.00 H new ATOM 0 HA PHE B 524 3.387 -2.949 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.229 -4.161 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.223 -2.777 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE B 524 1.454 -5.900 -3.626 1.00 0.00 H new ATOM 0 HD2 PHE B 524 -0.987 -2.517 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -0.489 -7.077 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -2.935 -3.684 -3.728 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.691 -5.971 -4.612 1.00 0.00 H new ATOM 2650 N ALA B 525 1.141 -1.575 -5.445 1.00 0.00 N ATOM 2651 CA ALA B 525 0.552 -1.522 -6.784 1.00 0.00 C ATOM 2652 C ALA B 525 1.063 -0.315 -7.590 1.00 0.00 C ATOM 2653 O ALA B 525 0.485 0.042 -8.625 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.968 -1.495 -6.666 1.00 0.00 C ATOM 0 H ALA B 525 0.991 -0.732 -4.890 1.00 0.00 H new ATOM 0 HA ALA B 525 0.858 -2.415 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.410 -1.455 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.309 -2.394 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -1.273 -0.616 -6.099 1.00 0.00 H new ATOM 2660 N CYS B 526 2.162 0.295 -7.122 1.00 0.00 N ATOM 2661 CA CYS B 526 2.753 1.464 -7.786 1.00 0.00 C ATOM 2662 C CYS B 526 3.772 1.084 -8.871 1.00 0.00 C ATOM 2663 O CYS B 526 4.058 1.897 -9.756 1.00 0.00 O ATOM 2664 CB CYS B 526 3.427 2.364 -6.747 1.00 0.00 C ATOM 2665 SG CYS B 526 4.057 3.925 -7.411 1.00 0.00 S ATOM 0 H CYS B 526 2.660 -0.004 -6.284 1.00 0.00 H new ATOM 0 HA CYS B 526 1.938 1.993 -8.279 1.00 0.00 H new ATOM 0 HB2 CYS B 526 2.712 2.582 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.252 1.817 -6.291 1.00 0.00 H new ATOM 0 HG CYS B 526 4.318 3.784 -8.677 1.00 0.00 H new ATOM 2671 N MET B 527 4.314 -0.139 -8.805 1.00 0.00 N ATOM 2672 CA MET B 527 5.320 -0.591 -9.777 1.00 0.00 C ATOM 2673 C MET B 527 4.733 -1.451 -10.911 1.00 0.00 C ATOM 2674 O MET B 527 5.472 -1.876 -11.808 1.00 0.00 O ATOM 2675 CB MET B 527 6.439 -1.348 -9.054 1.00 0.00 C ATOM 2676 CG MET B 527 7.537 -0.442 -8.509 1.00 0.00 C ATOM 2677 SD MET B 527 6.929 0.797 -7.343 1.00 0.00 S ATOM 2678 CE MET B 527 6.679 -0.194 -5.872 1.00 0.00 C ATOM 0 H MET B 527 4.075 -0.830 -8.094 1.00 0.00 H new ATOM 0 HA MET B 527 5.722 0.303 -10.253 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.008 -1.917 -8.231 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.882 -2.068 -9.742 1.00 0.00 H new ATOM 0 HG2 MET B 527 8.292 -1.054 -8.017 1.00 0.00 H new ATOM 0 HG3 MET B 527 8.028 0.062 -9.341 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.442 0.457 -5.031 1.00 0.00 H new ATOM 0 HE2 MET B 527 5.855 -0.889 -6.037 1.00 0.00 H new ATOM 0 HE3 MET B 527 7.588 -0.754 -5.652 1.00 0.00 H new ATOM 2688 N LEU B 528 3.410 -1.699 -10.885 1.00 0.00 N ATOM 2689 CA LEU B 528 2.736 -2.504 -11.920 1.00 0.00 C ATOM 2690 C LEU B 528 2.850 -1.890 -13.325 1.00 0.00 C ATOM 2691 O LEU B 528 3.115 -2.604 -14.296 1.00 0.00 O ATOM 2692 CB LEU B 528 1.256 -2.698 -11.574 1.00 0.00 C ATOM 2693 CG LEU B 528 0.993 -3.358 -10.224 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.415 -3.043 -9.745 1.00 0.00 C ATOM 2695 CD2 LEU B 528 1.211 -4.862 -10.295 1.00 0.00 C ATOM 0 H LEU B 528 2.786 -1.352 -10.157 1.00 0.00 H new ATOM 0 HA LEU B 528 3.247 -3.467 -11.937 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.764 -1.725 -11.589 1.00 0.00 H new ATOM 0 HB3 LEU B 528 0.792 -3.302 -12.354 1.00 0.00 H new ATOM 0 HG LEU B 528 1.705 -2.951 -9.505 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.587 -3.521 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.531 -1.964 -9.641 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.138 -3.417 -10.470 1.00 0.00 H new ATOM 0 HD21 LEU B 528 1.016 -5.304 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU B 528 0.532 -5.294 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU B 528 2.241 -5.067 -10.587 1.00 0.00 H new ATOM 2707 N MET B 529 2.647 -0.568 -13.414 1.00 0.00 N ATOM 2708 CA MET B 529 2.706 0.149 -14.695 1.00 0.00 C ATOM 2709 C MET B 529 4.025 0.908 -14.877 1.00 0.00 C ATOM 2710 O MET B 529 4.402 1.228 -16.008 1.00 0.00 O ATOM 2711 CB MET B 529 1.529 1.125 -14.810 1.00 0.00 C ATOM 2712 CG MET B 529 0.188 0.450 -15.086 1.00 0.00 C ATOM 2713 SD MET B 529 -0.163 0.258 -16.849 1.00 0.00 S ATOM 2714 CE MET B 529 0.818 -1.183 -17.270 1.00 0.00 C ATOM 0 H MET B 529 2.440 0.027 -12.612 1.00 0.00 H new ATOM 0 HA MET B 529 2.644 -0.600 -15.484 1.00 0.00 H new ATOM 0 HB2 MET B 529 1.453 1.697 -13.885 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.737 1.837 -15.609 1.00 0.00 H new ATOM 0 HG2 MET B 529 0.178 -0.531 -14.611 1.00 0.00 H new ATOM 0 HG3 MET B 529 -0.608 1.035 -14.625 1.00 0.00 H new ATOM 0 HE1 MET B 529 0.320 -1.743 -18.061 1.00 0.00 H new ATOM 0 HE2 MET B 529 1.802 -0.865 -17.614 1.00 0.00 H new ATOM 0 HE3 MET B 529 0.928 -1.818 -16.391 1.00 0.00 H new ATOM 2724 N ARG B 530 4.718 1.191 -13.765 1.00 0.00 N ATOM 2725 CA ARG B 530 5.997 1.918 -13.802 1.00 0.00 C ATOM 2726 C ARG B 530 7.183 0.975 -14.030 1.00 0.00 C ATOM 2727 O ARG B 530 8.179 1.366 -14.643 1.00 0.00 O ATOM 2728 CB ARG B 530 6.206 2.709 -12.501 1.00 0.00 C ATOM 2729 CG ARG B 530 5.305 3.934 -12.358 1.00 0.00 C ATOM 2730 CD ARG B 530 5.904 5.162 -13.033 1.00 0.00 C ATOM 2731 NE ARG B 530 5.048 6.344 -12.882 1.00 0.00 N ATOM 2732 CZ ARG B 530 5.368 7.577 -13.302 1.00 0.00 C ATOM 2733 NH1 ARG B 530 6.530 7.818 -13.907 1.00 0.00 N ATOM 2734 NH2 ARG B 530 4.516 8.575 -13.113 1.00 0.00 N ATOM 0 H ARG B 530 4.415 0.928 -12.827 1.00 0.00 H new ATOM 0 HA ARG B 530 5.949 2.610 -14.643 1.00 0.00 H new ATOM 0 HB2 ARG B 530 6.033 2.045 -11.654 1.00 0.00 H new ATOM 0 HB3 ARG B 530 7.246 3.030 -12.448 1.00 0.00 H new ATOM 0 HG2 ARG B 530 4.329 3.720 -12.794 1.00 0.00 H new ATOM 0 HG3 ARG B 530 5.143 4.144 -11.301 1.00 0.00 H new ATOM 0 HD2 ARG B 530 6.885 5.368 -12.606 1.00 0.00 H new ATOM 0 HD3 ARG B 530 6.054 4.956 -14.093 1.00 0.00 H new ATOM 0 HE ARG B 530 4.145 6.219 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG B 530 7.194 7.058 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG B 530 6.756 8.762 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG B 530 3.623 8.403 -12.651 1.00 0.00 H new ATOM 0 HH22 ARG B 530 4.753 9.515 -13.430 1.00 0.00 H new