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 72 MET CE :methyl -176:sc= -0.0615 (180deg=-0.0676) USER MOD Set 1.2: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 SER OG : rot -68:sc= -0.163 USER MOD Set 2.2: A 111 ASN : amide:sc= -0.845 K(o=-1,f=-3.9!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -138:sc= -0.11 (180deg=-2.85!) USER MOD Set 3.2: A 34 THR OG1 : rot 69:sc= 0.925 USER MOD Single : A 5 THR OG1 : rot 16:sc= -0.401 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.218 USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 29 THR OG1 : rot -120:sc= -0.213 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0965) USER MOD Single : A 36 MET CE :methyl -114:sc= -0.221 (180deg=-0.883) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,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= 0.106 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= -0.181 (180deg=-0.181) USER MOD Single : A 53 ASN :FLIP amide:sc= 1.07 F(o=-0.16,f=1.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0127 F(o=-1.1!,f=-0.013) USER MOD Single : A 62 THR OG1 : rot 126:sc= 0.161 USER MOD Single : A 70 THR OG1 : rot 23:sc= 0.36 USER MOD Single : A 71 MET CE :methyl 169:sc= 0 (180deg=-0.234) USER MOD Single : A 75 LYS NZ :NH3+ 138:sc= 0.447 (180deg=-3.18!) 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= -0.765 K(o=-0.77,f=-4.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 49:sc= 0.315 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 156:sc= -0.0699 (180deg=-0.503) USER MOD Single : A 110 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 147:sc= 0.61 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.935 F(o=-9.2!,f=-0.94) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -160:sc= 0 (180deg=-0.18) USER MOD Single : A 145 MET CE :methyl -168:sc= -3.55 (180deg=-4.02) USER MOD Single : A 146 THR OG1 : rot -54:sc= -1.04! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= -2.24! (180deg=-2.24!) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -32:sc= -2.26! USER MOD Single : B 527 MET CE :methyl 156:sc= -5.45! (180deg=-6.69!) USER MOD Single : B 529 MET CE :methyl -179:sc= 0 (180deg=-0.000732) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 2.489 -14.144 10.082 1.00 1.73 N ATOM 62 CA THR A 5 2.716 -13.253 11.227 1.00 2.05 C ATOM 63 C THR A 5 2.032 -11.908 10.976 1.00 1.66 C ATOM 64 O THR A 5 2.000 -11.431 9.841 1.00 1.15 O ATOM 65 CB THR A 5 4.216 -13.026 11.524 1.00 2.63 C ATOM 66 OG1 THR A 5 5.019 -14.014 10.863 1.00 3.14 O ATOM 67 CG2 THR A 5 4.482 -13.082 13.022 1.00 3.26 C ATOM 0 HA THR A 5 2.287 -13.741 12.102 1.00 2.05 H new ATOM 0 HB THR A 5 4.483 -12.038 11.149 1.00 2.63 H new ATOM 0 HG1 THR A 5 4.485 -14.463 10.175 1.00 3.14 H new ATOM 0 HG21 THR A 5 5.543 -12.920 13.209 1.00 3.26 H new ATOM 0 HG22 THR A 5 3.902 -12.307 13.524 1.00 3.26 H new ATOM 0 HG23 THR A 5 4.191 -14.059 13.407 1.00 3.26 H new ATOM 75 N GLU A 6 1.548 -11.295 12.059 1.00 2.22 N ATOM 76 CA GLU A 6 0.779 -10.030 12.033 1.00 2.15 C ATOM 77 C GLU A 6 1.263 -8.977 11.024 1.00 1.73 C ATOM 78 O GLU A 6 0.461 -8.501 10.217 1.00 1.38 O ATOM 79 CB GLU A 6 0.795 -9.417 13.434 1.00 2.80 C ATOM 80 CG GLU A 6 -0.137 -10.099 14.432 1.00 3.25 C ATOM 81 CD GLU A 6 -1.587 -9.673 14.278 1.00 3.82 C ATOM 82 OE1 GLU A 6 -2.318 -10.324 13.502 1.00 4.39 O ATOM 83 OE2 GLU A 6 -1.990 -8.689 14.933 1.00 4.09 O ATOM 0 H GLU A 6 1.677 -11.664 13.001 1.00 2.22 H new ATOM 0 HA GLU A 6 -0.223 -10.305 11.704 1.00 2.15 H new ATOM 0 HB2 GLU A 6 1.813 -9.455 13.822 1.00 2.80 H new ATOM 0 HB3 GLU A 6 0.521 -8.365 13.360 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.066 -11.179 14.307 1.00 3.25 H new ATOM 0 HG3 GLU A 6 0.197 -9.873 15.445 1.00 3.25 H new ATOM 90 N GLU A 7 2.551 -8.619 11.060 1.00 1.90 N ATOM 91 CA GLU A 7 3.084 -7.602 10.156 1.00 1.65 C ATOM 92 C GLU A 7 3.470 -8.158 8.793 1.00 1.44 C ATOM 93 O GLU A 7 3.615 -7.398 7.831 1.00 1.23 O ATOM 94 CB GLU A 7 4.270 -6.866 10.788 1.00 2.06 C ATOM 95 CG GLU A 7 3.877 -5.910 11.905 1.00 2.28 C ATOM 96 CD GLU A 7 5.071 -5.203 12.514 1.00 2.65 C ATOM 97 OE1 GLU A 7 5.434 -4.116 12.017 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.644 -5.736 13.488 1.00 2.91 O ATOM 0 H GLU A 7 3.237 -9.017 11.702 1.00 1.90 H new ATOM 0 HA GLU A 7 2.274 -6.892 9.990 1.00 1.65 H new ATOM 0 HB2 GLU A 7 4.973 -7.600 11.182 1.00 2.06 H new ATOM 0 HB3 GLU A 7 4.794 -6.307 10.012 1.00 2.06 H new ATOM 0 HG2 GLU A 7 3.180 -5.168 11.515 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.351 -6.463 12.683 1.00 2.28 H new ATOM 105 N GLN A 8 3.635 -9.477 8.712 1.00 1.67 N ATOM 106 CA GLN A 8 3.973 -10.141 7.451 1.00 1.66 C ATOM 107 C GLN A 8 2.744 -10.143 6.537 1.00 1.23 C ATOM 108 O GLN A 8 2.838 -9.822 5.349 1.00 1.28 O ATOM 109 CB GLN A 8 4.465 -11.574 7.715 1.00 1.98 C ATOM 110 CG GLN A 8 5.588 -11.658 8.747 1.00 2.48 C ATOM 111 CD GLN A 8 6.961 -11.399 8.152 1.00 2.88 C ATOM 112 OE1 GLN A 8 7.639 -12.323 7.702 1.00 3.21 O ATOM 113 NE2 GLN A 8 7.376 -10.138 8.148 1.00 3.41 N ATOM 0 H GLN A 8 3.540 -10.110 9.506 1.00 1.67 H new ATOM 0 HA GLN A 8 4.780 -9.598 6.958 1.00 1.66 H new ATOM 0 HB2 GLN A 8 3.625 -12.180 8.055 1.00 1.98 H new ATOM 0 HB3 GLN A 8 4.812 -12.008 6.777 1.00 1.98 H new ATOM 0 HG2 GLN A 8 5.400 -10.935 9.541 1.00 2.48 H new ATOM 0 HG3 GLN A 8 5.578 -12.646 9.207 1.00 2.48 H new ATOM 0 HE21 GLN A 8 6.781 -9.404 8.532 1.00 3.41 H new ATOM 0 HE22 GLN A 8 8.290 -9.903 7.761 1.00 3.41 H new ATOM 122 N ILE A 9 1.595 -10.512 7.123 1.00 0.97 N ATOM 123 CA ILE A 9 0.310 -10.528 6.411 1.00 0.68 C ATOM 124 C ILE A 9 -0.408 -9.183 6.507 1.00 0.57 C ATOM 125 O ILE A 9 -1.386 -8.956 5.793 1.00 0.67 O ATOM 126 CB ILE A 9 -0.661 -11.665 6.840 1.00 0.76 C ATOM 127 CG1 ILE A 9 -0.279 -12.262 8.178 1.00 1.22 C ATOM 128 CG2 ILE A 9 -0.740 -12.742 5.768 1.00 1.14 C ATOM 129 CD1 ILE A 9 -0.931 -11.519 9.300 1.00 2.46 C ATOM 0 H ILE A 9 1.531 -10.806 8.098 1.00 0.97 H new ATOM 0 HA ILE A 9 0.586 -10.730 5.376 1.00 0.68 H new ATOM 0 HB ILE A 9 -1.649 -11.220 6.956 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -0.575 -13.311 8.211 1.00 1.22 H new ATOM 0 HG13 ILE A 9 0.804 -12.233 8.298 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -1.425 -13.526 6.090 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -1.102 -12.304 4.838 1.00 1.14 H new ATOM 0 HG23 ILE A 9 0.250 -13.168 5.607 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -0.641 -11.967 10.250 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -0.614 -10.476 9.279 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -2.014 -11.571 9.190 1.00 2.46 H new ATOM 141 N ALA A 10 0.081 -8.297 7.403 1.00 0.59 N ATOM 142 CA ALA A 10 -0.509 -6.949 7.606 1.00 0.64 C ATOM 143 C ALA A 10 -0.792 -6.185 6.314 1.00 0.58 C ATOM 144 O ALA A 10 -1.879 -5.628 6.149 1.00 0.70 O ATOM 145 CB ALA A 10 0.422 -6.077 8.420 1.00 0.80 C ATOM 0 H ALA A 10 0.885 -8.489 8.000 1.00 0.59 H new ATOM 0 HA ALA A 10 -1.454 -7.142 8.114 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -0.028 -5.094 8.558 1.00 0.80 H new ATOM 0 HB2 ALA A 10 0.594 -6.537 9.393 1.00 0.80 H new ATOM 0 HB3 ALA A 10 1.372 -5.971 7.896 1.00 0.80 H new ATOM 151 N GLU A 11 0.173 -6.220 5.386 1.00 0.50 N ATOM 152 CA GLU A 11 0.087 -5.460 4.142 1.00 0.51 C ATOM 153 C GLU A 11 -0.909 -6.110 3.198 1.00 0.49 C ATOM 154 O GLU A 11 -1.856 -5.466 2.753 1.00 0.50 O ATOM 155 CB GLU A 11 1.474 -5.333 3.471 1.00 0.59 C ATOM 156 CG GLU A 11 1.480 -4.537 2.156 1.00 0.64 C ATOM 157 CD GLU A 11 1.268 -5.412 0.933 1.00 0.88 C ATOM 158 OE1 GLU A 11 0.120 -5.487 0.447 1.00 1.48 O ATOM 159 OE2 GLU A 11 2.252 -6.021 0.462 1.00 1.48 O ATOM 0 H GLU A 11 1.026 -6.772 5.479 1.00 0.50 H new ATOM 0 HA GLU A 11 -0.261 -4.455 4.379 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.159 -4.856 4.172 1.00 0.59 H new ATOM 0 HB3 GLU A 11 1.862 -6.333 3.276 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.698 -3.778 2.193 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.430 -4.011 2.060 1.00 0.64 H new ATOM 166 N PHE A 12 -0.687 -7.402 2.917 1.00 0.52 N ATOM 167 CA PHE A 12 -1.554 -8.166 2.022 1.00 0.53 C ATOM 168 C PHE A 12 -2.968 -8.240 2.578 1.00 0.49 C ATOM 169 O PHE A 12 -3.917 -8.458 1.824 1.00 0.54 O ATOM 170 CB PHE A 12 -0.991 -9.578 1.766 1.00 0.63 C ATOM 171 CG PHE A 12 0.494 -9.621 1.459 1.00 1.22 C ATOM 172 CD1 PHE A 12 1.019 -8.970 0.347 1.00 2.05 C ATOM 173 CD2 PHE A 12 1.362 -10.311 2.291 1.00 2.14 C ATOM 174 CE1 PHE A 12 2.374 -9.007 0.079 1.00 3.03 C ATOM 175 CE2 PHE A 12 2.717 -10.353 2.024 1.00 3.14 C ATOM 176 CZ PHE A 12 3.224 -9.700 0.918 1.00 3.44 C ATOM 0 H PHE A 12 0.091 -7.938 3.301 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.588 -7.645 1.065 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.185 -10.196 2.642 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -1.534 -10.026 0.933 1.00 0.63 H new ATOM 0 HD1 PHE A 12 0.359 -8.429 -0.315 1.00 2.05 H new ATOM 0 HD2 PHE A 12 0.974 -10.823 3.159 1.00 2.14 H new ATOM 0 HE1 PHE A 12 2.768 -8.494 -0.786 1.00 3.03 H new ATOM 0 HE2 PHE A 12 3.380 -10.897 2.681 1.00 3.14 H new ATOM 0 HZ PHE A 12 4.283 -9.731 0.710 1.00 3.44 H new ATOM 186 N LYS A 13 -3.100 -8.058 3.907 1.00 0.47 N ATOM 187 CA LYS A 13 -4.399 -8.043 4.551 1.00 0.48 C ATOM 188 C LYS A 13 -5.194 -6.826 4.191 1.00 0.48 C ATOM 189 O LYS A 13 -6.330 -6.917 3.727 1.00 0.52 O ATOM 190 CB LYS A 13 -4.283 -8.035 6.068 1.00 0.51 C ATOM 191 CG LYS A 13 -5.536 -8.552 6.729 1.00 0.57 C ATOM 192 CD LYS A 13 -5.731 -10.021 6.385 1.00 0.60 C ATOM 193 CE LYS A 13 -7.202 -10.408 6.358 1.00 0.66 C ATOM 194 NZ LYS A 13 -7.391 -11.852 6.047 1.00 1.21 N ATOM 0 H LYS A 13 -2.314 -7.921 4.543 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.894 -8.949 4.200 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -3.433 -8.647 6.371 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -4.083 -7.020 6.412 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -5.466 -8.428 7.810 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -6.398 -7.974 6.397 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -5.283 -10.229 5.413 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -5.207 -10.637 7.115 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -7.654 -10.182 7.324 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -7.722 -9.805 5.614 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -8.407 -12.075 6.038 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -6.982 -12.063 5.114 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -6.916 -12.428 6.771 1.00 1.21 H new ATOM 208 N GLU A 14 -4.601 -5.684 4.458 1.00 0.47 N ATOM 209 CA GLU A 14 -5.261 -4.449 4.202 1.00 0.49 C ATOM 210 C GLU A 14 -5.345 -4.210 2.706 1.00 0.49 C ATOM 211 O GLU A 14 -6.243 -3.520 2.215 1.00 0.54 O ATOM 212 CB GLU A 14 -4.545 -3.295 4.897 1.00 0.50 C ATOM 213 CG GLU A 14 -5.185 -2.861 6.210 1.00 0.52 C ATOM 214 CD GLU A 14 -6.396 -1.964 6.014 1.00 1.25 C ATOM 215 OE1 GLU A 14 -7.519 -2.499 5.909 1.00 1.99 O ATOM 216 OE2 GLU A 14 -6.218 -0.729 5.965 1.00 1.95 O ATOM 0 H GLU A 14 -3.664 -5.597 4.852 1.00 0.47 H new ATOM 0 HA GLU A 14 -6.272 -4.502 4.606 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -3.512 -3.586 5.088 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -4.516 -2.441 4.221 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -5.483 -3.746 6.772 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -4.444 -2.335 6.812 1.00 0.52 H new ATOM 223 N ALA A 15 -4.376 -4.803 2.001 1.00 0.46 N ATOM 224 CA ALA A 15 -4.314 -4.739 0.558 1.00 0.48 C ATOM 225 C ALA A 15 -5.194 -5.818 -0.061 1.00 0.50 C ATOM 226 O ALA A 15 -5.264 -5.980 -1.279 1.00 0.55 O ATOM 227 CB ALA A 15 -2.879 -4.844 0.060 1.00 0.50 C ATOM 0 H ALA A 15 -3.618 -5.338 2.425 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.695 -3.767 0.245 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -2.867 -4.793 -1.029 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.291 -4.022 0.469 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.450 -5.793 0.383 1.00 0.50 H new ATOM 233 N PHE A 16 -5.864 -6.532 0.831 1.00 0.49 N ATOM 234 CA PHE A 16 -6.795 -7.613 0.484 1.00 0.53 C ATOM 235 C PHE A 16 -8.177 -7.016 0.224 1.00 0.57 C ATOM 236 O PHE A 16 -8.883 -7.444 -0.685 1.00 0.60 O ATOM 237 CB PHE A 16 -6.870 -8.677 1.600 1.00 0.55 C ATOM 238 CG PHE A 16 -7.421 -10.007 1.154 1.00 0.56 C ATOM 239 CD1 PHE A 16 -8.790 -10.233 1.131 1.00 1.27 C ATOM 240 CD2 PHE A 16 -6.571 -11.029 0.764 1.00 1.27 C ATOM 241 CE1 PHE A 16 -9.298 -11.452 0.726 1.00 1.31 C ATOM 242 CE2 PHE A 16 -7.075 -12.251 0.357 1.00 1.27 C ATOM 243 CZ PHE A 16 -8.440 -12.462 0.339 1.00 0.62 C ATOM 0 H PHE A 16 -5.779 -6.379 1.836 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.432 -8.112 -0.415 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.871 -8.829 2.008 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.490 -8.293 2.410 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -9.466 -9.447 1.433 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -5.503 -10.870 0.778 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -10.366 -11.615 0.712 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -6.402 -13.039 0.054 1.00 1.27 H new ATOM 0 HZ PHE A 16 -8.836 -13.416 0.023 1.00 0.62 H new ATOM 253 N SER A 17 -8.556 -6.034 1.056 1.00 0.61 N ATOM 254 CA SER A 17 -9.841 -5.344 0.908 1.00 0.67 C ATOM 255 C SER A 17 -9.743 -4.195 -0.105 1.00 0.74 C ATOM 256 O SER A 17 -10.765 -3.663 -0.548 1.00 0.78 O ATOM 257 CB SER A 17 -10.331 -4.824 2.262 1.00 0.74 C ATOM 258 OG SER A 17 -9.351 -4.011 2.886 1.00 1.41 O ATOM 0 H SER A 17 -7.990 -5.702 1.837 1.00 0.61 H new ATOM 0 HA SER A 17 -10.565 -6.065 0.528 1.00 0.67 H new ATOM 0 HB2 SER A 17 -11.248 -4.251 2.124 1.00 0.74 H new ATOM 0 HB3 SER A 17 -10.575 -5.665 2.910 1.00 0.74 H new ATOM 0 HG SER A 17 -9.691 -3.692 3.748 1.00 1.41 H new ATOM 264 N LEU A 18 -8.494 -3.820 -0.448 1.00 0.79 N ATOM 265 CA LEU A 18 -8.191 -2.721 -1.394 1.00 0.91 C ATOM 266 C LEU A 18 -9.028 -2.780 -2.680 1.00 0.81 C ATOM 267 O LEU A 18 -9.705 -1.809 -3.031 1.00 0.79 O ATOM 268 CB LEU A 18 -6.697 -2.744 -1.783 1.00 1.26 C ATOM 269 CG LEU A 18 -5.779 -1.631 -1.233 1.00 0.69 C ATOM 270 CD1 LEU A 18 -4.404 -1.769 -1.855 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.305 -0.232 -1.523 1.00 0.83 C ATOM 0 H LEU A 18 -7.660 -4.273 -0.075 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.444 -1.799 -0.871 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -6.285 -3.702 -1.464 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.637 -2.717 -2.871 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.742 -1.752 -0.150 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -3.751 -0.986 -1.471 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -3.987 -2.745 -1.604 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -4.484 -1.676 -2.938 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -5.618 0.508 -1.112 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -6.388 -0.091 -2.601 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.286 -0.110 -1.064 1.00 0.83 H new ATOM 283 N PHE A 19 -8.969 -3.922 -3.365 1.00 0.84 N ATOM 284 CA PHE A 19 -9.703 -4.124 -4.615 1.00 0.86 C ATOM 285 C PHE A 19 -10.936 -4.977 -4.422 1.00 0.75 C ATOM 286 O PHE A 19 -11.990 -4.683 -4.974 1.00 0.79 O ATOM 287 CB PHE A 19 -8.874 -4.829 -5.722 1.00 1.02 C ATOM 288 CG PHE A 19 -7.544 -5.477 -5.374 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.287 -6.062 -4.139 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.557 -5.538 -6.344 1.00 1.53 C ATOM 291 CE1 PHE A 19 -6.080 -6.682 -3.889 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.351 -6.150 -6.092 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.112 -6.723 -4.866 1.00 1.28 C ATOM 0 H PHE A 19 -8.416 -4.728 -3.072 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.956 -3.110 -4.924 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -9.507 -5.601 -6.160 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.682 -4.093 -6.503 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -8.041 -6.031 -3.366 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -6.737 -5.098 -7.314 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -5.895 -7.135 -2.926 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.591 -6.180 -6.859 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.166 -7.205 -4.670 1.00 1.28 H new ATOM 303 N ASP A 20 -10.795 -6.025 -3.620 1.00 0.68 N ATOM 304 CA ASP A 20 -11.862 -7.005 -3.418 1.00 0.63 C ATOM 305 C ASP A 20 -13.142 -6.401 -2.787 1.00 0.66 C ATOM 306 O ASP A 20 -13.245 -6.273 -1.561 1.00 0.74 O ATOM 307 CB ASP A 20 -11.343 -8.202 -2.580 1.00 0.60 C ATOM 308 CG ASP A 20 -10.033 -8.772 -3.080 1.00 1.67 C ATOM 309 OD1 ASP A 20 -9.017 -8.058 -3.020 1.00 2.45 O ATOM 310 OD2 ASP A 20 -10.022 -9.938 -3.522 1.00 2.31 O ATOM 0 H ASP A 20 -9.944 -6.222 -3.093 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.153 -7.357 -4.408 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.219 -7.883 -1.545 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -12.096 -8.990 -2.583 1.00 0.60 H new ATOM 315 N LYS A 21 -14.108 -6.007 -3.655 1.00 0.73 N ATOM 316 CA LYS A 21 -15.412 -5.460 -3.206 1.00 0.80 C ATOM 317 C LYS A 21 -16.317 -6.608 -2.816 1.00 0.82 C ATOM 318 O LYS A 21 -16.874 -6.654 -1.715 1.00 0.91 O ATOM 319 CB LYS A 21 -16.110 -4.645 -4.296 1.00 1.01 C ATOM 320 CG LYS A 21 -15.441 -3.333 -4.599 1.00 0.97 C ATOM 321 CD LYS A 21 -14.496 -3.507 -5.759 1.00 0.95 C ATOM 322 CE LYS A 21 -13.652 -2.263 -5.988 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.372 -1.249 -6.806 1.00 1.63 N ATOM 0 H LYS A 21 -14.008 -6.058 -4.669 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.216 -4.798 -2.363 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.153 -5.239 -5.209 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -17.139 -4.455 -3.991 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.190 -2.577 -4.836 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.897 -2.979 -3.723 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.844 -4.360 -5.572 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -15.065 -3.732 -6.661 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.379 -1.827 -5.027 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.724 -2.540 -6.488 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -13.718 -0.836 -7.502 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -15.165 -1.703 -7.303 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.737 -0.498 -6.186 1.00 1.63 H new ATOM 337 N ASP A 22 -16.438 -7.530 -3.768 1.00 0.85 N ATOM 338 CA ASP A 22 -17.224 -8.756 -3.605 1.00 0.97 C ATOM 339 C ASP A 22 -16.433 -9.733 -2.725 1.00 0.88 C ATOM 340 O ASP A 22 -16.989 -10.365 -1.823 1.00 1.02 O ATOM 341 CB ASP A 22 -17.533 -9.375 -4.977 1.00 1.12 C ATOM 342 CG ASP A 22 -18.691 -10.359 -4.937 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.441 -11.562 -4.715 1.00 2.09 O ATOM 344 OD2 ASP A 22 -19.846 -9.924 -5.128 1.00 1.48 O ATOM 0 H ASP A 22 -15.991 -7.449 -4.681 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.175 -8.529 -3.124 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.764 -8.579 -5.685 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.644 -9.884 -5.349 1.00 1.12 H new ATOM 349 N GLY A 23 -15.123 -9.831 -3.017 1.00 0.75 N ATOM 350 CA GLY A 23 -14.203 -10.662 -2.252 1.00 0.75 C ATOM 351 C GLY A 23 -14.582 -12.116 -2.093 1.00 0.85 C ATOM 352 O GLY A 23 -14.651 -12.625 -0.970 1.00 1.01 O ATOM 0 H GLY A 23 -14.683 -9.333 -3.791 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.224 -10.615 -2.728 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.096 -10.227 -1.258 1.00 0.75 H new ATOM 356 N ASP A 24 -14.829 -12.781 -3.222 1.00 0.82 N ATOM 357 CA ASP A 24 -15.115 -14.224 -3.248 1.00 0.95 C ATOM 358 C ASP A 24 -13.809 -14.959 -2.910 1.00 0.87 C ATOM 359 O ASP A 24 -13.728 -16.189 -2.838 1.00 0.96 O ATOM 360 CB ASP A 24 -15.537 -14.593 -4.653 1.00 1.00 C ATOM 361 CG ASP A 24 -16.258 -15.928 -4.743 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.578 -16.959 -4.930 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.502 -15.940 -4.626 1.00 1.93 O ATOM 0 H ASP A 24 -14.838 -12.341 -4.142 1.00 0.82 H new ATOM 0 HA ASP A 24 -15.900 -14.489 -2.539 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.188 -13.811 -5.045 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.655 -14.623 -5.292 1.00 1.00 H new ATOM 368 N GLY A 25 -12.818 -14.108 -2.703 1.00 0.74 N ATOM 369 CA GLY A 25 -11.460 -14.481 -2.374 1.00 0.72 C ATOM 370 C GLY A 25 -10.527 -14.196 -3.528 1.00 0.65 C ATOM 371 O GLY A 25 -9.345 -14.548 -3.491 1.00 0.69 O ATOM 0 H GLY A 25 -12.947 -13.098 -2.763 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.132 -13.932 -1.492 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.421 -15.541 -2.123 1.00 0.72 H new ATOM 375 N THR A 26 -11.087 -13.549 -4.554 1.00 0.62 N ATOM 376 CA THR A 26 -10.346 -13.155 -5.736 1.00 0.58 C ATOM 377 C THR A 26 -10.501 -11.671 -6.040 1.00 0.57 C ATOM 378 O THR A 26 -11.356 -10.982 -5.475 1.00 0.64 O ATOM 379 CB THR A 26 -10.802 -13.931 -6.972 1.00 0.60 C ATOM 380 OG1 THR A 26 -12.217 -13.779 -7.163 1.00 0.63 O ATOM 381 CG2 THR A 26 -10.463 -15.402 -6.842 1.00 0.64 C ATOM 0 H THR A 26 -12.072 -13.287 -4.580 1.00 0.62 H new ATOM 0 HA THR A 26 -9.302 -13.379 -5.515 1.00 0.58 H new ATOM 0 HB THR A 26 -10.276 -13.525 -7.836 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.550 -14.502 -7.734 1.00 0.63 H new ATOM 0 HG21 THR A 26 -10.797 -15.933 -7.733 1.00 0.64 H new ATOM 0 HG22 THR A 26 -9.385 -15.519 -6.733 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.963 -15.814 -5.965 1.00 0.64 H new ATOM 389 N ILE A 27 -9.663 -11.213 -6.962 1.00 0.54 N ATOM 390 CA ILE A 27 -9.634 -9.858 -7.417 1.00 0.53 C ATOM 391 C ILE A 27 -10.033 -9.764 -8.842 1.00 0.53 C ATOM 392 O ILE A 27 -9.495 -10.444 -9.696 1.00 0.51 O ATOM 393 CB ILE A 27 -8.251 -9.272 -7.214 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.190 -8.829 -5.788 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.913 -8.129 -8.174 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.265 -9.671 -4.936 1.00 0.54 C ATOM 0 H ILE A 27 -8.969 -11.805 -7.418 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.352 -9.284 -6.831 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.500 -10.030 -7.437 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.861 -7.791 -5.752 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -9.193 -8.860 -5.362 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.908 -7.764 -7.965 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.962 -8.490 -9.201 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.629 -7.318 -8.040 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.269 -9.294 -3.913 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.606 -10.706 -4.942 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.253 -9.620 -5.338 1.00 0.54 H new ATOM 408 N THR A 28 -10.923 -8.857 -9.084 1.00 0.59 N ATOM 409 CA THR A 28 -11.430 -8.661 -10.419 1.00 0.61 C ATOM 410 C THR A 28 -10.831 -7.430 -11.067 1.00 0.58 C ATOM 411 O THR A 28 -10.177 -6.598 -10.430 1.00 0.57 O ATOM 412 CB THR A 28 -12.965 -8.577 -10.423 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.514 -9.297 -9.310 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.561 -9.130 -11.720 1.00 0.73 C ATOM 0 H THR A 28 -11.319 -8.235 -8.379 1.00 0.59 H new ATOM 0 HA THR A 28 -11.132 -9.529 -11.007 1.00 0.61 H new ATOM 0 HB THR A 28 -13.226 -7.522 -10.344 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.444 -8.750 -8.500 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.648 -9.053 -11.683 1.00 0.73 H new ATOM 0 HG22 THR A 28 -13.185 -8.556 -12.567 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.275 -10.176 -11.835 1.00 0.73 H new ATOM 422 N THR A 29 -11.090 -7.364 -12.355 1.00 0.58 N ATOM 423 CA THR A 29 -10.608 -6.316 -13.243 1.00 0.57 C ATOM 424 C THR A 29 -11.206 -4.937 -12.906 1.00 0.62 C ATOM 425 O THR A 29 -10.468 -3.950 -12.866 1.00 0.64 O ATOM 426 CB THR A 29 -10.846 -6.685 -14.746 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.956 -5.963 -15.300 1.00 0.66 O ATOM 428 CG2 THR A 29 -11.074 -8.176 -14.958 1.00 0.59 C ATOM 0 H THR A 29 -11.661 -8.060 -12.834 1.00 0.58 H new ATOM 0 HA THR A 29 -9.533 -6.242 -13.081 1.00 0.57 H new ATOM 0 HB THR A 29 -9.930 -6.399 -15.263 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.636 -6.597 -15.611 1.00 0.66 H new ATOM 0 HG21 THR A 29 -11.233 -8.373 -16.018 1.00 0.59 H new ATOM 0 HG22 THR A 29 -10.201 -8.730 -14.613 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.951 -8.494 -14.394 1.00 0.59 H new ATOM 436 N LYS A 30 -12.529 -4.866 -12.629 1.00 0.77 N ATOM 437 CA LYS A 30 -13.173 -3.576 -12.280 1.00 0.85 C ATOM 438 C LYS A 30 -12.566 -2.974 -11.003 1.00 0.84 C ATOM 439 O LYS A 30 -12.621 -1.761 -10.790 1.00 0.93 O ATOM 440 CB LYS A 30 -14.708 -3.716 -12.133 1.00 1.01 C ATOM 441 CG LYS A 30 -15.204 -4.590 -10.969 1.00 1.06 C ATOM 442 CD LYS A 30 -15.261 -6.059 -11.353 1.00 1.10 C ATOM 443 CE LYS A 30 -15.977 -6.885 -10.291 1.00 1.16 C ATOM 444 NZ LYS A 30 -17.446 -6.629 -10.271 1.00 1.66 N ATOM 0 H LYS A 30 -13.160 -5.667 -12.639 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.978 -2.895 -13.108 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.133 -2.719 -12.017 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.105 -4.126 -13.062 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.543 -4.463 -10.112 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -16.194 -4.256 -10.660 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.775 -6.167 -12.308 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.249 -6.440 -11.491 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -15.797 -7.944 -10.475 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -15.557 -6.656 -9.312 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.914 -7.338 -9.671 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -17.628 -5.679 -9.889 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -17.822 -6.691 -11.238 1.00 1.66 H new ATOM 458 N GLU A 31 -11.989 -3.854 -10.175 1.00 0.82 N ATOM 459 CA GLU A 31 -11.348 -3.482 -8.920 1.00 0.87 C ATOM 460 C GLU A 31 -9.936 -2.955 -9.153 1.00 0.78 C ATOM 461 O GLU A 31 -9.505 -1.984 -8.527 1.00 0.81 O ATOM 462 CB GLU A 31 -11.242 -4.690 -7.990 1.00 1.02 C ATOM 463 CG GLU A 31 -12.532 -5.480 -7.791 1.00 1.82 C ATOM 464 CD GLU A 31 -12.327 -6.838 -7.126 1.00 2.69 C ATOM 465 OE1 GLU A 31 -11.255 -7.067 -6.519 1.00 3.34 O ATOM 466 OE2 GLU A 31 -13.249 -7.675 -7.208 1.00 3.27 O ATOM 0 H GLU A 31 -11.957 -4.856 -10.366 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.965 -2.704 -8.470 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.481 -5.364 -8.383 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.892 -4.347 -7.016 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -13.219 -4.889 -7.185 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -13.009 -5.629 -8.760 1.00 1.82 H new ATOM 473 N LEU A 32 -9.231 -3.635 -10.064 1.00 0.68 N ATOM 474 CA LEU A 32 -7.851 -3.324 -10.439 1.00 0.60 C ATOM 475 C LEU A 32 -7.668 -1.868 -10.848 1.00 0.66 C ATOM 476 O LEU A 32 -6.611 -1.290 -10.593 1.00 0.72 O ATOM 477 CB LEU A 32 -7.437 -4.312 -11.542 1.00 0.54 C ATOM 478 CG LEU A 32 -5.972 -4.309 -12.027 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.977 -3.863 -10.950 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.593 -5.690 -12.524 1.00 0.44 C ATOM 0 H LEU A 32 -9.614 -4.433 -10.571 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.196 -3.443 -9.576 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.666 -5.317 -11.188 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -8.072 -4.126 -12.408 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.913 -3.580 -12.835 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.966 -3.884 -11.357 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.218 -2.850 -10.629 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -5.038 -4.538 -10.096 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.558 -5.682 -12.865 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.703 -6.411 -11.714 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -6.246 -5.971 -13.351 1.00 0.44 H new ATOM 492 N GLY A 33 -8.693 -1.290 -11.463 1.00 0.71 N ATOM 493 CA GLY A 33 -8.640 0.106 -11.852 1.00 0.80 C ATOM 494 C GLY A 33 -9.009 1.020 -10.716 1.00 0.83 C ATOM 495 O GLY A 33 -8.567 2.169 -10.653 1.00 0.91 O ATOM 0 H GLY A 33 -9.563 -1.766 -11.700 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.636 0.348 -12.201 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.317 0.275 -12.689 1.00 0.80 H new ATOM 499 N THR A 34 -9.832 0.483 -9.828 1.00 0.80 N ATOM 500 CA THR A 34 -10.251 1.168 -8.605 1.00 0.84 C ATOM 501 C THR A 34 -9.035 1.357 -7.689 1.00 0.83 C ATOM 502 O THR A 34 -9.020 2.236 -6.825 1.00 0.88 O ATOM 503 CB THR A 34 -11.292 0.325 -7.846 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.282 -0.172 -8.753 1.00 0.89 O ATOM 505 CG2 THR A 34 -11.983 1.121 -6.738 1.00 0.96 C ATOM 0 H THR A 34 -10.234 -0.449 -9.933 1.00 0.80 H new ATOM 0 HA THR A 34 -10.685 2.130 -8.879 1.00 0.84 H new ATOM 0 HB THR A 34 -10.755 -0.503 -7.384 1.00 0.87 H new ATOM 0 HG1 THR A 34 -11.878 -0.841 -9.344 1.00 0.89 H new ATOM 0 HG21 THR A 34 -12.708 0.485 -6.231 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.239 1.467 -6.020 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.495 1.980 -7.172 1.00 0.96 H new ATOM 513 N VAL A 35 -8.028 0.499 -7.907 1.00 0.77 N ATOM 514 CA VAL A 35 -6.779 0.518 -7.127 1.00 0.79 C ATOM 515 C VAL A 35 -5.830 1.611 -7.643 1.00 0.80 C ATOM 516 O VAL A 35 -5.494 2.567 -6.940 1.00 0.86 O ATOM 517 CB VAL A 35 -6.071 -0.863 -7.247 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.750 -0.903 -6.475 1.00 0.80 C ATOM 519 CG2 VAL A 35 -6.981 -1.983 -6.763 1.00 0.79 C ATOM 0 H VAL A 35 -8.054 -0.225 -8.625 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.027 0.727 -6.086 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.848 -1.010 -8.304 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.292 -1.886 -6.588 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.076 -0.142 -6.867 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -4.940 -0.710 -5.419 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.464 -2.938 -6.857 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.243 -1.813 -5.719 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.888 -2.001 -7.367 1.00 0.79 H new ATOM 529 N MET A 36 -5.428 1.414 -8.890 1.00 0.77 N ATOM 530 CA MET A 36 -4.507 2.294 -9.643 1.00 0.81 C ATOM 531 C MET A 36 -4.906 3.762 -9.679 1.00 0.80 C ATOM 532 O MET A 36 -4.058 4.640 -9.568 1.00 0.87 O ATOM 533 CB MET A 36 -4.473 1.860 -11.108 1.00 0.87 C ATOM 534 CG MET A 36 -5.779 1.296 -11.580 1.00 0.86 C ATOM 535 SD MET A 36 -5.754 0.764 -13.307 1.00 1.10 S ATOM 536 CE MET A 36 -4.874 -0.793 -13.198 1.00 1.82 C ATOM 0 H MET A 36 -5.738 0.611 -9.437 1.00 0.77 H new ATOM 0 HA MET A 36 -3.555 2.199 -9.121 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.207 2.715 -11.729 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.691 1.113 -11.242 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.048 0.447 -10.951 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.558 2.048 -11.451 1.00 0.86 H new ATOM 0 HE1 MET A 36 -3.919 -0.708 -13.716 1.00 1.82 H new ATOM 0 HE2 MET A 36 -4.698 -1.039 -12.151 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.469 -1.580 -13.661 1.00 1.82 H new ATOM 546 N ARG A 37 -6.204 4.004 -9.849 1.00 0.79 N ATOM 547 CA ARG A 37 -6.734 5.353 -10.036 1.00 0.85 C ATOM 548 C ARG A 37 -6.163 6.414 -9.081 1.00 0.94 C ATOM 549 O ARG A 37 -5.685 7.469 -9.504 1.00 1.01 O ATOM 550 CB ARG A 37 -8.270 5.384 -9.935 1.00 0.96 C ATOM 551 CG ARG A 37 -8.874 4.549 -8.806 1.00 1.49 C ATOM 552 CD ARG A 37 -10.348 4.875 -8.586 1.00 1.68 C ATOM 553 NE ARG A 37 -10.550 6.227 -8.045 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.745 6.771 -7.775 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.874 6.097 -7.988 1.00 2.47 N ATOM 556 NH2 ARG A 37 -11.808 8.003 -7.288 1.00 3.94 N ATOM 0 H ARG A 37 -6.916 3.274 -9.861 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.408 5.616 -11.042 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.587 6.419 -9.807 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.686 5.038 -10.881 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -8.767 3.490 -9.040 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.320 4.729 -7.884 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.883 4.782 -9.531 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -10.780 4.145 -7.902 1.00 1.68 H new ATOM 0 HE ARG A 37 -9.721 6.792 -7.862 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.839 5.149 -8.363 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.773 6.529 -7.776 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -10.951 8.530 -7.121 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -12.714 8.424 -7.080 1.00 3.94 H new ATOM 570 N SER A 38 -6.245 6.087 -7.805 1.00 1.00 N ATOM 571 CA SER A 38 -5.804 6.944 -6.683 1.00 1.16 C ATOM 572 C SER A 38 -4.412 7.580 -6.825 1.00 1.17 C ATOM 573 O SER A 38 -4.177 8.654 -6.263 1.00 1.33 O ATOM 574 CB SER A 38 -5.867 6.153 -5.376 1.00 1.37 C ATOM 575 OG SER A 38 -7.188 5.717 -5.107 1.00 1.82 O ATOM 0 H SER A 38 -6.629 5.195 -7.495 1.00 1.00 H new ATOM 0 HA SER A 38 -6.500 7.783 -6.688 1.00 1.16 H new ATOM 0 HB2 SER A 38 -5.202 5.292 -5.436 1.00 1.37 H new ATOM 0 HB3 SER A 38 -5.511 6.774 -4.554 1.00 1.37 H new ATOM 0 HG SER A 38 -7.754 6.492 -4.906 1.00 1.82 H new ATOM 581 N LEU A 39 -3.504 6.938 -7.557 1.00 1.11 N ATOM 582 CA LEU A 39 -2.158 7.469 -7.733 1.00 1.26 C ATOM 583 C LEU A 39 -2.033 8.385 -8.967 1.00 1.23 C ATOM 584 O LEU A 39 -0.974 8.981 -9.192 1.00 1.39 O ATOM 585 CB LEU A 39 -1.112 6.332 -7.754 1.00 1.42 C ATOM 586 CG LEU A 39 -1.399 5.104 -8.639 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.262 5.432 -10.116 1.00 1.18 C ATOM 588 CD2 LEU A 39 -0.474 3.957 -8.263 1.00 2.07 C ATOM 0 H LEU A 39 -3.676 6.054 -8.035 1.00 1.11 H new ATOM 0 HA LEU A 39 -1.952 8.100 -6.869 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -0.161 6.759 -8.072 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -0.978 5.982 -6.730 1.00 1.42 H new ATOM 0 HG LEU A 39 -2.432 4.802 -8.463 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.472 4.541 -10.708 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.969 6.218 -10.381 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.247 5.772 -10.321 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -0.687 3.095 -8.896 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.562 4.264 -8.405 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -0.633 3.688 -7.219 1.00 2.07 H new ATOM 600 N GLY A 40 -3.117 8.495 -9.751 1.00 1.12 N ATOM 601 CA GLY A 40 -3.115 9.361 -10.929 1.00 1.21 C ATOM 602 C GLY A 40 -3.116 8.623 -12.258 1.00 1.24 C ATOM 603 O GLY A 40 -2.781 9.211 -13.290 1.00 1.48 O ATOM 0 H GLY A 40 -3.994 8.000 -9.589 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -3.990 10.010 -10.888 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -2.238 10.006 -10.888 1.00 1.21 H new ATOM 607 N GLN A 41 -3.490 7.347 -12.233 1.00 1.05 N ATOM 608 CA GLN A 41 -3.544 6.530 -13.448 1.00 1.08 C ATOM 609 C GLN A 41 -4.982 6.111 -13.761 1.00 1.03 C ATOM 610 O GLN A 41 -5.690 5.599 -12.889 1.00 1.04 O ATOM 611 CB GLN A 41 -2.646 5.292 -13.301 1.00 1.08 C ATOM 612 CG GLN A 41 -2.121 4.733 -14.623 1.00 1.30 C ATOM 613 CD GLN A 41 -0.929 5.505 -15.162 1.00 2.18 C ATOM 614 OE1 GLN A 41 -1.086 6.466 -15.916 1.00 2.69 O ATOM 615 NE2 GLN A 41 0.271 5.087 -14.775 1.00 3.01 N ATOM 0 H GLN A 41 -3.762 6.852 -11.383 1.00 1.05 H new ATOM 0 HA GLN A 41 -3.177 7.132 -14.279 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -1.798 5.547 -12.666 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.206 4.511 -12.787 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.838 3.690 -14.483 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -2.922 4.750 -15.362 1.00 1.30 H new ATOM 0 HE21 GLN A 41 0.355 4.286 -14.149 1.00 3.01 H new ATOM 0 HE22 GLN A 41 1.109 5.567 -15.104 1.00 3.01 H new ATOM 624 N ASN A 42 -5.394 6.336 -15.014 1.00 1.26 N ATOM 625 CA ASN A 42 -6.740 5.986 -15.475 1.00 1.34 C ATOM 626 C ASN A 42 -6.673 5.249 -16.831 1.00 0.89 C ATOM 627 O ASN A 42 -6.912 5.851 -17.886 1.00 1.50 O ATOM 628 CB ASN A 42 -7.622 7.243 -15.576 1.00 2.22 C ATOM 629 CG ASN A 42 -7.974 7.820 -14.217 1.00 3.03 C ATOM 630 OD1 ASN A 42 -7.256 8.667 -13.685 1.00 3.77 O ATOM 631 ND2 ASN A 42 -9.083 7.362 -13.648 1.00 3.37 N ATOM 0 H ASN A 42 -4.808 6.763 -15.731 1.00 1.26 H new ATOM 0 HA ASN A 42 -7.192 5.314 -14.745 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -7.103 8.000 -16.165 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -8.539 6.997 -16.111 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -9.370 7.713 -12.734 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -9.648 6.660 -14.125 1.00 3.37 H new ATOM 638 N PRO A 43 -6.322 3.925 -16.829 1.00 1.06 N ATOM 639 CA PRO A 43 -6.222 3.114 -18.059 1.00 1.66 C ATOM 640 C PRO A 43 -7.588 2.650 -18.589 1.00 1.29 C ATOM 641 O PRO A 43 -8.622 2.888 -17.959 1.00 1.26 O ATOM 642 CB PRO A 43 -5.374 1.899 -17.624 1.00 2.73 C ATOM 643 CG PRO A 43 -4.949 2.165 -16.215 1.00 2.76 C ATOM 644 CD PRO A 43 -5.960 3.116 -15.649 1.00 1.85 C ATOM 0 HA PRO A 43 -5.789 3.688 -18.878 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -5.953 0.978 -17.688 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -4.508 1.777 -18.275 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -4.916 1.242 -15.637 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -3.948 2.596 -16.184 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.822 2.594 -15.233 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.541 3.727 -14.849 1.00 1.85 H new ATOM 652 N THR A 44 -7.567 1.984 -19.758 1.00 1.26 N ATOM 653 CA THR A 44 -8.761 1.459 -20.424 1.00 1.00 C ATOM 654 C THR A 44 -9.561 0.486 -19.537 1.00 0.85 C ATOM 655 O THR A 44 -9.082 0.049 -18.487 1.00 0.89 O ATOM 656 CB THR A 44 -8.353 0.736 -21.731 1.00 1.17 C ATOM 657 OG1 THR A 44 -7.091 1.226 -22.206 1.00 1.51 O ATOM 658 CG2 THR A 44 -9.390 0.948 -22.806 1.00 1.33 C ATOM 0 H THR A 44 -6.705 1.796 -20.269 1.00 1.26 H new ATOM 0 HA THR A 44 -9.405 2.311 -20.639 1.00 1.00 H new ATOM 0 HB THR A 44 -8.273 -0.328 -21.507 1.00 1.17 H new ATOM 0 HG1 THR A 44 -6.848 0.757 -23.031 1.00 1.51 H new ATOM 0 HG21 THR A 44 -9.083 0.431 -23.715 1.00 1.33 H new ATOM 0 HG22 THR A 44 -10.348 0.552 -22.470 1.00 1.33 H new ATOM 0 HG23 THR A 44 -9.489 2.014 -23.011 1.00 1.33 H new ATOM 666 N GLU A 45 -10.785 0.162 -19.989 1.00 0.76 N ATOM 667 CA GLU A 45 -11.685 -0.756 -19.273 1.00 0.72 C ATOM 668 C GLU A 45 -11.318 -2.203 -19.570 1.00 0.71 C ATOM 669 O GLU A 45 -11.656 -3.113 -18.810 1.00 0.70 O ATOM 670 CB GLU A 45 -13.153 -0.488 -19.635 1.00 0.79 C ATOM 671 CG GLU A 45 -13.716 0.807 -19.056 1.00 0.85 C ATOM 672 CD GLU A 45 -14.103 0.684 -17.591 1.00 1.41 C ATOM 673 OE1 GLU A 45 -15.265 0.322 -17.313 1.00 2.03 O ATOM 674 OE2 GLU A 45 -13.242 0.950 -16.726 1.00 1.97 O ATOM 0 H GLU A 45 -11.176 0.528 -20.857 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.565 -0.579 -18.204 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -13.248 -0.458 -20.720 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -13.760 -1.323 -19.285 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -12.976 1.599 -19.165 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -14.591 1.106 -19.633 1.00 0.85 H new ATOM 681 N ALA A 46 -10.687 -2.413 -20.718 1.00 0.75 N ATOM 682 CA ALA A 46 -10.184 -3.712 -21.088 1.00 0.78 C ATOM 683 C ALA A 46 -8.786 -3.865 -20.523 1.00 0.76 C ATOM 684 O ALA A 46 -8.268 -4.970 -20.442 1.00 0.77 O ATOM 685 CB ALA A 46 -10.206 -3.912 -22.596 1.00 0.90 C ATOM 0 H ALA A 46 -10.514 -1.685 -21.411 1.00 0.75 H new ATOM 0 HA ALA A 46 -10.830 -4.485 -20.670 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -9.820 -4.902 -22.837 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -11.230 -3.823 -22.960 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -9.584 -3.154 -23.073 1.00 0.90 H new ATOM 691 N GLU A 47 -8.188 -2.720 -20.127 1.00 0.77 N ATOM 692 CA GLU A 47 -6.844 -2.694 -19.523 1.00 0.81 C ATOM 693 C GLU A 47 -6.791 -3.473 -18.217 1.00 0.68 C ATOM 694 O GLU A 47 -5.726 -3.903 -17.810 1.00 0.62 O ATOM 695 CB GLU A 47 -6.373 -1.255 -19.294 1.00 0.95 C ATOM 696 CG GLU A 47 -5.501 -0.704 -20.416 1.00 1.30 C ATOM 697 CD GLU A 47 -4.059 -1.175 -20.332 1.00 1.55 C ATOM 698 OE1 GLU A 47 -3.741 -2.223 -20.931 1.00 2.16 O ATOM 699 OE2 GLU A 47 -3.250 -0.493 -19.668 1.00 2.13 O ATOM 0 H GLU A 47 -8.620 -1.800 -20.217 1.00 0.77 H new ATOM 0 HA GLU A 47 -6.171 -3.179 -20.230 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -7.245 -0.612 -19.176 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -5.815 -1.210 -18.359 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -5.920 -1.005 -21.376 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -5.524 0.385 -20.385 1.00 1.30 H new ATOM 706 N LEU A 48 -7.946 -3.640 -17.577 1.00 0.66 N ATOM 707 CA LEU A 48 -8.065 -4.405 -16.336 1.00 0.59 C ATOM 708 C LEU A 48 -8.286 -5.869 -16.686 1.00 0.55 C ATOM 709 O LEU A 48 -7.671 -6.753 -16.083 1.00 0.56 O ATOM 710 CB LEU A 48 -9.200 -3.850 -15.494 1.00 0.61 C ATOM 711 CG LEU A 48 -9.524 -2.379 -15.732 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.887 -2.270 -16.303 1.00 0.87 C ATOM 713 CD2 LEU A 48 -9.411 -1.571 -14.469 1.00 1.24 C ATOM 0 H LEU A 48 -8.829 -3.248 -17.905 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.152 -4.322 -15.746 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.096 -4.439 -15.687 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.950 -3.985 -14.442 1.00 0.61 H new ATOM 0 HG LEU A 48 -8.797 -1.972 -16.435 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.126 -1.221 -16.476 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -10.930 -2.813 -17.247 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.609 -2.696 -15.606 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -9.650 -0.529 -14.681 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -10.108 -1.959 -13.726 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -8.394 -1.639 -14.083 1.00 1.24 H new ATOM 725 N GLN A 49 -9.179 -6.122 -17.671 1.00 0.57 N ATOM 726 CA GLN A 49 -9.403 -7.481 -18.183 1.00 0.60 C ATOM 727 C GLN A 49 -8.100 -7.969 -18.827 1.00 0.59 C ATOM 728 O GLN A 49 -7.840 -9.171 -18.923 1.00 0.61 O ATOM 729 CB GLN A 49 -10.545 -7.513 -19.211 1.00 0.67 C ATOM 730 CG GLN A 49 -11.897 -7.059 -18.666 1.00 0.80 C ATOM 731 CD GLN A 49 -12.983 -8.097 -18.868 1.00 1.03 C ATOM 732 OE1 GLN A 49 -13.143 -8.983 -17.892 1.00 1.67 O flip ATOM 733 NE2 GLN A 49 -13.671 -8.102 -19.888 1.00 1.52 N flip ATOM 0 H GLN A 49 -9.749 -5.405 -18.120 1.00 0.57 H new ATOM 0 HA GLN A 49 -9.692 -8.133 -17.359 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -10.276 -6.878 -20.055 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -10.644 -8.528 -19.595 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -11.801 -6.840 -17.602 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -12.190 -6.131 -19.157 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -13.513 -7.402 -20.613 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -14.399 -8.806 -20.009 1.00 1.52 H new ATOM 742 N ASP A 50 -7.295 -6.981 -19.265 1.00 0.58 N ATOM 743 CA ASP A 50 -5.983 -7.209 -19.849 1.00 0.57 C ATOM 744 C ASP A 50 -4.928 -7.256 -18.744 1.00 0.49 C ATOM 745 O ASP A 50 -4.014 -8.083 -18.809 1.00 0.48 O ATOM 746 CB ASP A 50 -5.627 -6.127 -20.868 1.00 0.63 C ATOM 747 CG ASP A 50 -6.120 -6.460 -22.263 1.00 1.03 C ATOM 748 OD1 ASP A 50 -7.238 -6.033 -22.617 1.00 1.83 O ATOM 749 OD2 ASP A 50 -5.386 -7.149 -23.002 1.00 1.48 O ATOM 0 H ASP A 50 -7.552 -5.995 -19.217 1.00 0.58 H new ATOM 0 HA ASP A 50 -6.007 -8.164 -20.373 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -6.058 -5.177 -20.551 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -4.545 -5.995 -20.890 1.00 0.63 H new ATOM 754 N MET A 51 -5.043 -6.360 -17.717 1.00 0.45 N ATOM 755 CA MET A 51 -4.062 -6.389 -16.595 1.00 0.41 C ATOM 756 C MET A 51 -4.123 -7.715 -15.825 1.00 0.39 C ATOM 757 O MET A 51 -3.098 -8.178 -15.317 1.00 0.38 O ATOM 758 CB MET A 51 -4.187 -5.209 -15.604 1.00 0.41 C ATOM 759 CG MET A 51 -3.540 -3.922 -16.100 1.00 0.48 C ATOM 760 SD MET A 51 -1.753 -4.067 -16.317 1.00 1.31 S ATOM 761 CE MET A 51 -1.174 -3.885 -14.629 1.00 1.31 C ATOM 0 H MET A 51 -5.767 -5.645 -17.645 1.00 0.45 H new ATOM 0 HA MET A 51 -3.092 -6.288 -17.081 1.00 0.41 H new ATOM 0 HB2 MET A 51 -5.243 -5.022 -15.407 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.731 -5.493 -14.656 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.993 -3.637 -17.049 1.00 0.48 H new ATOM 0 HG3 MET A 51 -3.750 -3.120 -15.392 1.00 0.48 H new ATOM 0 HE1 MET A 51 -0.086 -3.953 -14.608 1.00 1.31 H new ATOM 0 HE2 MET A 51 -1.484 -2.915 -14.241 1.00 1.31 H new ATOM 0 HE3 MET A 51 -1.599 -4.676 -14.011 1.00 1.31 H new ATOM 771 N ILE A 52 -5.322 -8.323 -15.741 1.00 0.41 N ATOM 772 CA ILE A 52 -5.478 -9.617 -15.057 1.00 0.42 C ATOM 773 C ILE A 52 -5.191 -10.790 -16.013 1.00 0.46 C ATOM 774 O ILE A 52 -5.007 -11.923 -15.575 1.00 0.49 O ATOM 775 CB ILE A 52 -6.859 -9.824 -14.384 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.273 -8.560 -13.616 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.810 -11.032 -13.464 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.861 -8.743 -12.210 1.00 0.48 C ATOM 0 H ILE A 52 -6.184 -7.944 -16.133 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.741 -9.597 -14.255 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.608 -10.009 -15.154 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.398 -7.916 -13.533 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -8.006 -8.025 -14.220 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.784 -11.171 -12.994 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.556 -11.920 -14.043 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -6.055 -10.872 -12.694 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -8.107 -7.768 -11.789 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.764 -9.351 -12.269 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -7.130 -9.240 -11.572 1.00 0.48 H new ATOM 790 N ASN A 53 -5.146 -10.497 -17.316 1.00 0.49 N ATOM 791 CA ASN A 53 -4.917 -11.484 -18.359 1.00 0.56 C ATOM 792 C ASN A 53 -3.489 -12.016 -18.339 1.00 0.58 C ATOM 793 O ASN A 53 -3.264 -13.226 -18.377 1.00 0.65 O ATOM 794 CB ASN A 53 -5.164 -10.789 -19.672 1.00 0.58 C ATOM 795 CG ASN A 53 -6.150 -11.517 -20.565 1.00 0.65 C ATOM 796 OD1 ASN A 53 -5.641 -12.413 -21.402 1.00 1.27 O flip ATOM 797 ND2 ASN A 53 -7.356 -11.277 -20.502 1.00 1.35 N flip ATOM 0 H ASN A 53 -5.270 -9.550 -17.675 1.00 0.49 H new ATOM 0 HA ASN A 53 -5.580 -12.336 -18.207 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -5.536 -9.783 -19.477 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -4.217 -10.682 -20.201 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -7.704 -10.580 -19.843 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -8.008 -11.775 -21.108 1.00 1.35 H new ATOM 804 N GLU A 54 -2.537 -11.081 -18.307 1.00 0.55 N ATOM 805 CA GLU A 54 -1.105 -11.423 -18.286 1.00 0.59 C ATOM 806 C GLU A 54 -0.638 -11.928 -16.930 1.00 0.57 C ATOM 807 O GLU A 54 0.312 -12.714 -16.852 1.00 0.62 O ATOM 808 CB GLU A 54 -0.246 -10.239 -18.741 1.00 0.61 C ATOM 809 CG GLU A 54 -0.336 -9.948 -20.232 1.00 0.79 C ATOM 810 CD GLU A 54 0.525 -8.772 -20.649 1.00 1.15 C ATOM 811 OE1 GLU A 54 1.704 -8.992 -20.995 1.00 1.78 O ATOM 812 OE2 GLU A 54 0.019 -7.630 -20.630 1.00 1.82 O ATOM 0 H GLU A 54 -2.728 -10.079 -18.295 1.00 0.55 H new ATOM 0 HA GLU A 54 -0.978 -12.243 -18.993 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -0.549 -9.350 -18.188 1.00 0.61 H new ATOM 0 HB3 GLU A 54 0.794 -10.437 -18.482 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -0.031 -10.833 -20.790 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -1.374 -9.746 -20.497 1.00 0.79 H new ATOM 819 N VAL A 55 -1.300 -11.479 -15.879 1.00 0.50 N ATOM 820 CA VAL A 55 -0.983 -11.928 -14.529 1.00 0.48 C ATOM 821 C VAL A 55 -2.154 -12.805 -14.066 1.00 0.48 C ATOM 822 O VAL A 55 -2.495 -12.870 -12.885 1.00 0.45 O ATOM 823 CB VAL A 55 -0.719 -10.735 -13.547 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.080 -11.200 -12.332 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.023 -9.595 -14.241 1.00 0.48 C ATOM 0 H VAL A 55 -2.062 -10.803 -15.931 1.00 0.50 H new ATOM 0 HA VAL A 55 -0.054 -12.497 -14.531 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.690 -10.366 -13.218 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.251 -10.356 -11.664 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.478 -11.973 -11.804 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.038 -11.604 -12.659 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.190 -8.784 -13.532 1.00 0.48 H new ATOM 0 HG22 VAL A 55 0.982 -9.957 -14.610 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.573 -9.229 -15.077 1.00 0.48 H new ATOM 835 N ASP A 56 -2.717 -13.538 -15.047 1.00 0.55 N ATOM 836 CA ASP A 56 -3.899 -14.399 -14.845 1.00 0.60 C ATOM 837 C ASP A 56 -3.726 -15.525 -13.814 1.00 0.61 C ATOM 838 O ASP A 56 -2.935 -16.455 -14.004 1.00 0.65 O ATOM 839 CB ASP A 56 -4.362 -14.990 -16.194 1.00 0.75 C ATOM 840 CG ASP A 56 -3.298 -15.827 -16.901 1.00 0.98 C ATOM 841 OD1 ASP A 56 -3.562 -17.019 -17.167 1.00 1.58 O ATOM 842 OD2 ASP A 56 -2.206 -15.290 -17.180 1.00 1.87 O ATOM 0 H ASP A 56 -2.364 -13.550 -16.004 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.658 -13.740 -14.425 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -5.244 -15.608 -16.025 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -4.665 -14.175 -16.851 1.00 0.75 H new ATOM 847 N ALA A 57 -4.479 -15.398 -12.709 1.00 0.59 N ATOM 848 CA ALA A 57 -4.513 -16.410 -11.650 1.00 0.62 C ATOM 849 C ALA A 57 -5.585 -17.438 -11.986 1.00 0.68 C ATOM 850 O ALA A 57 -5.358 -18.650 -11.951 1.00 0.74 O ATOM 851 CB ALA A 57 -4.818 -15.770 -10.303 1.00 0.60 C ATOM 0 H ALA A 57 -5.078 -14.592 -12.529 1.00 0.59 H new ATOM 0 HA ALA A 57 -3.538 -16.893 -11.585 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.839 -16.539 -9.531 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -4.047 -15.038 -10.065 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.788 -15.274 -10.347 1.00 0.60 H new ATOM 857 N ASP A 58 -6.752 -16.895 -12.309 1.00 0.68 N ATOM 858 CA ASP A 58 -7.921 -17.663 -12.707 1.00 0.75 C ATOM 859 C ASP A 58 -8.267 -17.330 -14.168 1.00 0.75 C ATOM 860 O ASP A 58 -8.921 -18.112 -14.864 1.00 0.83 O ATOM 861 CB ASP A 58 -9.066 -17.346 -11.728 1.00 0.77 C ATOM 862 CG ASP A 58 -10.433 -17.850 -12.171 1.00 0.90 C ATOM 863 OD1 ASP A 58 -11.319 -17.010 -12.429 1.00 1.36 O ATOM 864 OD2 ASP A 58 -10.612 -19.084 -12.258 1.00 1.62 O ATOM 0 H ASP A 58 -6.914 -15.888 -12.301 1.00 0.68 H new ATOM 0 HA ASP A 58 -7.735 -18.736 -12.661 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -8.829 -17.782 -10.758 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -9.119 -16.266 -11.588 1.00 0.77 H new ATOM 869 N GLY A 59 -7.807 -16.146 -14.599 1.00 0.68 N ATOM 870 CA GLY A 59 -7.962 -15.669 -15.965 1.00 0.68 C ATOM 871 C GLY A 59 -9.365 -15.325 -16.379 1.00 0.72 C ATOM 872 O GLY A 59 -9.631 -15.132 -17.570 1.00 0.75 O ATOM 0 H GLY A 59 -7.312 -15.491 -13.994 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -7.337 -14.785 -16.095 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.579 -16.432 -16.643 1.00 0.68 H new ATOM 876 N ASN A 60 -10.263 -15.250 -15.407 1.00 0.73 N ATOM 877 CA ASN A 60 -11.616 -14.836 -15.667 1.00 0.78 C ATOM 878 C ASN A 60 -11.692 -13.359 -15.332 1.00 0.72 C ATOM 879 O ASN A 60 -12.768 -12.771 -15.163 1.00 0.77 O ATOM 880 CB ASN A 60 -12.624 -15.665 -14.861 1.00 0.86 C ATOM 881 CG ASN A 60 -12.790 -17.070 -15.410 1.00 1.28 C ATOM 882 OD1 ASN A 60 -11.963 -17.994 -14.934 1.00 1.86 O flip ATOM 883 ND2 ASN A 60 -13.651 -17.322 -16.253 1.00 2.03 N flip ATOM 0 H ASN A 60 -10.069 -15.473 -14.431 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.879 -15.000 -16.712 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -12.297 -15.720 -13.823 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.590 -15.160 -14.864 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -14.266 -16.582 -16.591 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -13.750 -18.271 -16.613 1.00 2.03 H new ATOM 890 N GLY A 61 -10.484 -12.779 -15.272 1.00 0.64 N ATOM 891 CA GLY A 61 -10.316 -11.387 -14.937 1.00 0.59 C ATOM 892 C GLY A 61 -10.181 -11.212 -13.445 1.00 0.56 C ATOM 893 O GLY A 61 -10.508 -10.166 -12.880 1.00 0.56 O ATOM 0 H GLY A 61 -9.610 -13.272 -15.456 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.432 -10.992 -15.436 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -11.170 -10.815 -15.300 1.00 0.59 H new ATOM 897 N THR A 62 -9.697 -12.275 -12.827 1.00 0.56 N ATOM 898 CA THR A 62 -9.524 -12.343 -11.390 1.00 0.54 C ATOM 899 C THR A 62 -8.136 -12.789 -10.991 1.00 0.50 C ATOM 900 O THR A 62 -7.578 -13.728 -11.568 1.00 0.51 O ATOM 901 CB THR A 62 -10.505 -13.310 -10.724 1.00 0.59 C ATOM 902 OG1 THR A 62 -11.076 -14.210 -11.686 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.605 -12.558 -9.991 1.00 0.62 C ATOM 0 H THR A 62 -9.411 -13.123 -13.316 1.00 0.56 H new ATOM 0 HA THR A 62 -9.707 -11.323 -11.051 1.00 0.54 H new ATOM 0 HB THR A 62 -9.944 -13.894 -9.995 1.00 0.59 H new ATOM 0 HG1 THR A 62 -10.941 -15.134 -11.390 1.00 0.65 H new ATOM 0 HG21 THR A 62 -12.287 -13.271 -9.528 1.00 0.62 H new ATOM 0 HG22 THR A 62 -11.163 -11.926 -9.221 1.00 0.62 H new ATOM 0 HG23 THR A 62 -12.155 -11.937 -10.698 1.00 0.62 H new ATOM 911 N ILE A 63 -7.593 -12.098 -9.996 1.00 0.47 N ATOM 912 CA ILE A 63 -6.298 -12.401 -9.458 1.00 0.45 C ATOM 913 C ILE A 63 -6.412 -12.615 -7.946 1.00 0.46 C ATOM 914 O ILE A 63 -7.159 -11.926 -7.255 1.00 0.48 O ATOM 915 CB ILE A 63 -5.296 -11.283 -9.798 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.985 -11.842 -10.349 1.00 0.40 C ATOM 917 CG2 ILE A 63 -5.041 -10.418 -8.591 1.00 0.43 C ATOM 918 CD1 ILE A 63 -3.142 -10.791 -11.044 1.00 0.42 C ATOM 0 H ILE A 63 -8.053 -11.307 -9.545 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.922 -13.320 -9.909 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.742 -10.670 -10.581 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.411 -12.280 -9.532 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.205 -12.646 -11.051 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.330 -9.633 -8.850 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.977 -9.966 -8.263 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.631 -11.028 -7.786 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -2.224 -11.247 -11.414 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.701 -10.371 -11.880 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.894 -9.998 -10.338 1.00 0.42 H new ATOM 930 N ASP A 64 -5.688 -13.594 -7.471 1.00 0.48 N ATOM 931 CA ASP A 64 -5.657 -13.957 -6.056 1.00 0.51 C ATOM 932 C ASP A 64 -4.606 -13.124 -5.297 1.00 0.54 C ATOM 933 O ASP A 64 -3.929 -12.283 -5.898 1.00 0.54 O ATOM 934 CB ASP A 64 -5.361 -15.452 -5.939 1.00 0.57 C ATOM 935 CG ASP A 64 -6.566 -16.313 -6.271 1.00 0.65 C ATOM 936 OD1 ASP A 64 -6.731 -16.672 -7.456 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.343 -16.628 -5.345 1.00 1.33 O ATOM 0 H ASP A 64 -5.090 -14.178 -8.055 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.625 -13.743 -5.604 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.540 -15.709 -6.608 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -5.028 -15.675 -4.925 1.00 0.57 H new ATOM 942 N PHE A 65 -4.476 -13.362 -3.979 1.00 0.62 N ATOM 943 CA PHE A 65 -3.515 -12.630 -3.134 1.00 0.73 C ATOM 944 C PHE A 65 -2.027 -12.973 -3.440 1.00 0.78 C ATOM 945 O PHE A 65 -1.191 -12.072 -3.361 1.00 0.86 O ATOM 946 CB PHE A 65 -3.826 -12.826 -1.628 1.00 0.82 C ATOM 947 CG PHE A 65 -3.983 -14.259 -1.179 1.00 0.82 C ATOM 948 CD1 PHE A 65 -5.187 -14.926 -1.348 1.00 1.39 C ATOM 949 CD2 PHE A 65 -2.927 -14.932 -0.585 1.00 1.51 C ATOM 950 CE1 PHE A 65 -5.333 -16.237 -0.935 1.00 1.43 C ATOM 951 CE2 PHE A 65 -3.067 -16.243 -0.171 1.00 1.52 C ATOM 952 CZ PHE A 65 -4.272 -16.896 -0.346 1.00 0.90 C ATOM 0 H PHE A 65 -5.026 -14.058 -3.475 1.00 0.62 H new ATOM 0 HA PHE A 65 -3.644 -11.577 -3.386 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -3.026 -12.367 -1.047 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -4.743 -12.286 -1.391 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -6.020 -14.415 -1.808 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -1.983 -14.426 -0.444 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -6.276 -16.745 -1.073 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -2.236 -16.757 0.289 1.00 1.52 H new ATOM 0 HZ PHE A 65 -4.384 -17.920 -0.023 1.00 0.90 H new ATOM 962 N PRO A 66 -1.653 -14.253 -3.799 1.00 0.79 N ATOM 963 CA PRO A 66 -0.249 -14.617 -4.092 1.00 0.89 C ATOM 964 C PRO A 66 0.220 -14.219 -5.502 1.00 0.79 C ATOM 965 O PRO A 66 1.425 -14.188 -5.765 1.00 0.82 O ATOM 966 CB PRO A 66 -0.228 -16.151 -3.945 1.00 0.98 C ATOM 967 CG PRO A 66 -1.596 -16.546 -3.487 1.00 0.91 C ATOM 968 CD PRO A 66 -2.510 -15.448 -3.935 1.00 0.75 C ATOM 0 HA PRO A 66 0.429 -14.089 -3.422 1.00 0.89 H new ATOM 0 HB2 PRO A 66 0.018 -16.629 -4.893 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.529 -16.463 -3.225 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.892 -17.502 -3.919 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -1.627 -16.663 -2.404 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.847 -15.592 -4.961 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -3.402 -15.382 -3.313 1.00 0.75 H new ATOM 976 N GLU A 67 -0.731 -13.944 -6.405 1.00 0.69 N ATOM 977 CA GLU A 67 -0.416 -13.561 -7.778 1.00 0.63 C ATOM 978 C GLU A 67 -0.229 -12.054 -7.943 1.00 0.62 C ATOM 979 O GLU A 67 0.731 -11.628 -8.593 1.00 0.66 O ATOM 980 CB GLU A 67 -1.484 -14.072 -8.734 1.00 0.61 C ATOM 981 CG GLU A 67 -1.331 -15.542 -9.111 1.00 0.70 C ATOM 982 CD GLU A 67 -0.277 -15.776 -10.180 1.00 1.12 C ATOM 983 OE1 GLU A 67 -0.630 -15.748 -11.378 1.00 1.71 O ATOM 984 OE2 GLU A 67 0.900 -15.984 -9.818 1.00 1.94 O ATOM 0 H GLU A 67 -1.730 -13.982 -6.202 1.00 0.69 H new ATOM 0 HA GLU A 67 0.538 -14.027 -8.023 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -2.464 -13.925 -8.279 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.461 -13.471 -9.643 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -1.070 -16.114 -8.221 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -2.289 -15.922 -9.465 1.00 0.70 H new ATOM 991 N PHE A 68 -1.144 -11.243 -7.366 1.00 0.63 N ATOM 992 CA PHE A 68 -1.050 -9.778 -7.460 1.00 0.72 C ATOM 993 C PHE A 68 0.294 -9.234 -6.952 1.00 0.79 C ATOM 994 O PHE A 68 0.798 -8.231 -7.468 1.00 0.87 O ATOM 995 CB PHE A 68 -2.191 -9.085 -6.698 1.00 0.88 C ATOM 996 CG PHE A 68 -2.482 -7.688 -7.205 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.020 -6.578 -6.516 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.199 -7.487 -8.377 1.00 1.84 C ATOM 999 CE1 PHE A 68 -2.269 -5.300 -6.983 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -3.450 -6.217 -8.846 1.00 2.44 C ATOM 1001 CZ PHE A 68 -2.986 -5.121 -8.151 1.00 2.37 C ATOM 0 H PHE A 68 -1.948 -11.579 -6.836 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.132 -9.550 -8.523 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.094 -9.690 -6.779 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.935 -9.035 -5.640 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.459 -6.712 -5.603 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -3.565 -8.340 -8.929 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.904 -4.443 -6.436 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -4.011 -6.080 -9.759 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.182 -4.124 -8.518 1.00 2.37 H new ATOM 1011 N LEU A 69 0.856 -9.906 -5.947 1.00 0.81 N ATOM 1012 CA LEU A 69 2.126 -9.490 -5.341 1.00 0.89 C ATOM 1013 C LEU A 69 3.363 -10.038 -6.027 1.00 0.84 C ATOM 1014 O LEU A 69 4.456 -9.550 -5.768 1.00 0.89 O ATOM 1015 CB LEU A 69 2.211 -9.869 -3.872 1.00 0.99 C ATOM 1016 CG LEU A 69 1.776 -11.293 -3.554 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.849 -12.289 -3.962 1.00 0.92 C ATOM 1018 CD2 LEU A 69 1.476 -11.442 -2.087 1.00 1.14 C ATOM 0 H LEU A 69 0.451 -10.745 -5.532 1.00 0.81 H new ATOM 0 HA LEU A 69 2.119 -8.407 -5.464 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.239 -9.734 -3.535 1.00 0.99 H new ATOM 0 HB3 LEU A 69 1.594 -9.179 -3.297 1.00 0.99 H new ATOM 0 HG LEU A 69 0.870 -11.500 -4.123 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.516 -13.300 -3.725 1.00 0.92 H new ATOM 0 HD12 LEU A 69 3.031 -12.209 -5.034 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.770 -12.074 -3.420 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.167 -12.467 -1.881 1.00 1.14 H new ATOM 0 HD22 LEU A 69 2.369 -11.209 -1.507 1.00 1.14 H new ATOM 0 HD23 LEU A 69 0.674 -10.758 -1.808 1.00 1.14 H new ATOM 1030 N THR A 70 3.204 -11.075 -6.854 1.00 0.78 N ATOM 1031 CA THR A 70 4.342 -11.707 -7.552 1.00 0.78 C ATOM 1032 C THR A 70 5.254 -10.662 -8.214 1.00 0.80 C ATOM 1033 O THR A 70 6.411 -10.949 -8.526 1.00 0.79 O ATOM 1034 CB THR A 70 3.832 -12.785 -8.557 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.068 -13.765 -7.846 1.00 0.79 O ATOM 1036 CG2 THR A 70 4.968 -13.493 -9.298 1.00 0.88 C ATOM 0 H THR A 70 2.300 -11.500 -7.061 1.00 0.78 H new ATOM 0 HA THR A 70 4.960 -12.218 -6.813 1.00 0.78 H new ATOM 0 HB THR A 70 3.225 -12.269 -9.301 1.00 0.80 H new ATOM 0 HG1 THR A 70 2.731 -13.375 -7.012 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.551 -14.232 -9.983 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.546 -12.761 -9.862 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.617 -13.991 -8.578 1.00 0.88 H new ATOM 1044 N MET A 71 4.707 -9.462 -8.417 1.00 0.87 N ATOM 1045 CA MET A 71 5.456 -8.349 -8.956 1.00 0.96 C ATOM 1046 C MET A 71 6.142 -7.542 -7.851 1.00 0.97 C ATOM 1047 O MET A 71 7.230 -7.021 -8.084 1.00 1.00 O ATOM 1048 CB MET A 71 4.586 -7.456 -9.843 1.00 1.10 C ATOM 1049 CG MET A 71 4.194 -8.097 -11.165 1.00 1.15 C ATOM 1050 SD MET A 71 3.226 -6.994 -12.213 1.00 1.66 S ATOM 1051 CE MET A 71 3.086 -7.978 -13.702 1.00 1.68 C ATOM 0 H MET A 71 3.732 -9.245 -8.209 1.00 0.87 H new ATOM 0 HA MET A 71 6.239 -8.767 -9.588 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.681 -7.189 -9.297 1.00 1.10 H new ATOM 0 HB3 MET A 71 5.122 -6.528 -10.045 1.00 1.10 H new ATOM 0 HG2 MET A 71 5.095 -8.400 -11.698 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.620 -9.002 -10.969 1.00 1.15 H new ATOM 0 HE1 MET A 71 2.356 -7.523 -14.372 1.00 1.68 H new ATOM 0 HE2 MET A 71 4.055 -8.025 -14.199 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.762 -8.986 -13.443 1.00 1.68 H new ATOM 1061 N MET A 72 5.519 -7.429 -6.649 1.00 0.99 N ATOM 1062 CA MET A 72 6.164 -6.714 -5.534 1.00 1.06 C ATOM 1063 C MET A 72 7.059 -7.705 -4.813 1.00 0.94 C ATOM 1064 O MET A 72 8.039 -7.335 -4.160 1.00 0.95 O ATOM 1065 CB MET A 72 5.165 -6.034 -4.574 1.00 1.23 C ATOM 1066 CG MET A 72 4.018 -6.917 -4.083 1.00 1.37 C ATOM 1067 SD MET A 72 3.832 -6.893 -2.285 1.00 2.19 S ATOM 1068 CE MET A 72 5.134 -8.018 -1.776 1.00 3.08 C ATOM 0 H MET A 72 4.598 -7.814 -6.437 1.00 0.99 H new ATOM 0 HA MET A 72 6.750 -5.888 -5.937 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.714 -5.667 -3.707 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.741 -5.164 -5.075 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.088 -6.585 -4.544 1.00 1.37 H new ATOM 0 HG3 MET A 72 4.189 -7.942 -4.412 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.093 -8.157 -0.696 1.00 3.08 H new ATOM 0 HE2 MET A 72 4.998 -8.980 -2.271 1.00 3.08 H new ATOM 0 HE3 MET A 72 6.103 -7.602 -2.052 1.00 3.08 H new ATOM 1078 N ALA A 73 6.678 -8.984 -4.956 1.00 0.86 N ATOM 1079 CA ALA A 73 7.455 -10.095 -4.457 1.00 0.79 C ATOM 1080 C ALA A 73 8.625 -10.298 -5.414 1.00 0.71 C ATOM 1081 O ALA A 73 9.605 -10.968 -5.080 1.00 0.68 O ATOM 1082 CB ALA A 73 6.610 -11.355 -4.348 1.00 0.80 C ATOM 0 H ALA A 73 5.816 -9.262 -5.425 1.00 0.86 H new ATOM 0 HA ALA A 73 7.819 -9.880 -3.452 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.223 -12.173 -3.970 1.00 0.80 H new ATOM 0 HB2 ALA A 73 5.779 -11.178 -3.665 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.221 -11.618 -5.332 1.00 0.80 H new ATOM 1088 N ARG A 74 8.492 -9.714 -6.641 1.00 0.72 N ATOM 1089 CA ARG A 74 9.521 -9.732 -7.619 1.00 0.71 C ATOM 1090 C ARG A 74 10.565 -8.697 -7.248 1.00 0.73 C ATOM 1091 O ARG A 74 11.763 -8.948 -7.354 1.00 0.68 O ATOM 1092 CB ARG A 74 8.900 -9.396 -8.970 1.00 0.83 C ATOM 1093 CG ARG A 74 9.914 -9.118 -10.039 1.00 0.91 C ATOM 1094 CD ARG A 74 9.293 -9.087 -11.425 1.00 1.12 C ATOM 1095 NE ARG A 74 10.269 -8.724 -12.458 1.00 1.47 N ATOM 1096 CZ ARG A 74 10.027 -8.743 -13.777 1.00 1.90 C ATOM 1097 NH1 ARG A 74 8.839 -9.107 -14.255 1.00 2.18 N ATOM 1098 NH2 ARG A 74 10.987 -8.393 -14.623 1.00 2.55 N ATOM 0 H ARG A 74 7.648 -9.226 -6.940 1.00 0.72 H new ATOM 0 HA ARG A 74 9.996 -10.712 -7.670 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.267 -10.225 -9.287 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.253 -8.526 -8.858 1.00 0.83 H new ATOM 0 HG2 ARG A 74 10.398 -8.162 -9.838 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.691 -9.882 -10.008 1.00 0.91 H new ATOM 0 HD2 ARG A 74 8.870 -10.065 -11.654 1.00 1.12 H new ATOM 0 HD3 ARG A 74 8.470 -8.373 -11.437 1.00 1.12 H new ATOM 0 HE ARG A 74 11.198 -8.437 -12.151 1.00 1.47 H new ATOM 0 HH11 ARG A 74 8.093 -9.378 -13.615 1.00 2.18 H new ATOM 0 HH12 ARG A 74 8.675 -9.115 -15.262 1.00 2.18 H new ATOM 0 HH21 ARG A 74 11.901 -8.112 -14.269 1.00 2.55 H new ATOM 0 HH22 ARG A 74 10.811 -8.405 -15.628 1.00 2.55 H new ATOM 1112 N LYS A 75 10.082 -7.507 -6.857 1.00 0.86 N ATOM 1113 CA LYS A 75 10.935 -6.428 -6.397 1.00 0.95 C ATOM 1114 C LYS A 75 11.808 -6.917 -5.231 1.00 0.90 C ATOM 1115 O LYS A 75 12.772 -6.263 -4.830 1.00 0.96 O ATOM 1116 CB LYS A 75 10.069 -5.226 -6.027 1.00 1.19 C ATOM 1117 CG LYS A 75 8.982 -4.966 -7.072 1.00 1.28 C ATOM 1118 CD LYS A 75 9.519 -4.406 -8.384 1.00 1.40 C ATOM 1119 CE LYS A 75 9.809 -2.908 -8.322 1.00 2.25 C ATOM 1120 NZ LYS A 75 10.160 -2.358 -9.661 1.00 2.99 N ATOM 0 H LYS A 75 9.088 -7.278 -6.855 1.00 0.86 H new ATOM 0 HA LYS A 75 11.614 -6.110 -7.188 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.606 -5.397 -5.055 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.698 -4.341 -5.929 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.453 -5.898 -7.274 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.253 -4.268 -6.660 1.00 1.28 H new ATOM 0 HD2 LYS A 75 10.433 -4.936 -8.651 1.00 1.40 H new ATOM 0 HD3 LYS A 75 8.796 -4.598 -9.177 1.00 1.40 H new ATOM 0 HE2 LYS A 75 8.937 -2.384 -7.931 1.00 2.25 H new ATOM 0 HE3 LYS A 75 10.629 -2.725 -7.627 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 9.689 -1.440 -9.794 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 11.190 -2.231 -9.725 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 9.846 -3.018 -10.401 1.00 2.99 H new ATOM 1134 N MET A 76 11.401 -8.083 -4.686 1.00 0.85 N ATOM 1135 CA MET A 76 12.118 -8.778 -3.633 1.00 0.93 C ATOM 1136 C MET A 76 13.258 -9.583 -4.259 1.00 0.83 C ATOM 1137 O MET A 76 14.377 -9.595 -3.737 1.00 0.93 O ATOM 1138 CB MET A 76 11.205 -9.731 -2.860 1.00 1.07 C ATOM 1139 CG MET A 76 10.033 -9.047 -2.199 1.00 0.96 C ATOM 1140 SD MET A 76 10.508 -8.088 -0.748 1.00 1.64 S ATOM 1141 CE MET A 76 8.922 -7.428 -0.243 1.00 2.37 C ATOM 0 H MET A 76 10.550 -8.563 -4.980 1.00 0.85 H new ATOM 0 HA MET A 76 12.502 -8.034 -2.935 1.00 0.93 H new ATOM 0 HB2 MET A 76 10.831 -10.495 -3.542 1.00 1.07 H new ATOM 0 HB3 MET A 76 11.792 -10.244 -2.098 1.00 1.07 H new ATOM 0 HG2 MET A 76 9.549 -8.389 -2.920 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.298 -9.797 -1.908 1.00 0.96 H new ATOM 0 HE1 MET A 76 9.051 -6.810 0.646 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.507 -6.822 -1.049 1.00 2.37 H new ATOM 0 HE3 MET A 76 8.241 -8.249 -0.018 1.00 2.37 H new ATOM 1151 N LYS A 77 12.954 -10.264 -5.396 1.00 0.72 N ATOM 1152 CA LYS A 77 13.952 -11.059 -6.110 1.00 0.79 C ATOM 1153 C LYS A 77 14.853 -10.187 -7.014 1.00 0.78 C ATOM 1154 O LYS A 77 15.896 -10.643 -7.489 1.00 0.91 O ATOM 1155 CB LYS A 77 13.280 -12.213 -6.878 1.00 0.86 C ATOM 1156 CG LYS A 77 12.383 -11.830 -8.052 1.00 0.76 C ATOM 1157 CD LYS A 77 11.034 -12.545 -7.956 1.00 0.89 C ATOM 1158 CE LYS A 77 11.137 -14.051 -8.211 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.812 -14.723 -8.111 1.00 1.75 N ATOM 0 H LYS A 77 12.028 -10.270 -5.824 1.00 0.72 H new ATOM 0 HA LYS A 77 14.618 -11.505 -5.371 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.063 -12.874 -7.250 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.685 -12.790 -6.170 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.229 -10.751 -8.062 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.872 -12.090 -8.990 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.610 -12.378 -6.966 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.344 -12.106 -8.677 1.00 0.89 H new ATOM 0 HE2 LYS A 77 11.558 -14.224 -9.202 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.824 -14.495 -7.491 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.925 -15.741 -8.290 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.421 -14.580 -7.158 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.163 -14.317 -8.815 1.00 1.75 H new ATOM 1173 N ASP A 78 14.422 -8.937 -7.235 1.00 0.74 N ATOM 1174 CA ASP A 78 15.167 -7.959 -8.037 1.00 0.79 C ATOM 1175 C ASP A 78 15.459 -6.719 -7.189 1.00 0.77 C ATOM 1176 O ASP A 78 14.540 -6.139 -6.608 1.00 0.80 O ATOM 1177 CB ASP A 78 14.369 -7.565 -9.286 1.00 0.84 C ATOM 1178 CG ASP A 78 14.255 -8.698 -10.290 1.00 1.19 C ATOM 1179 OD1 ASP A 78 13.281 -9.474 -10.202 1.00 1.66 O ATOM 1180 OD2 ASP A 78 15.140 -8.808 -11.164 1.00 1.92 O ATOM 0 H ASP A 78 13.544 -8.576 -6.861 1.00 0.74 H new ATOM 0 HA ASP A 78 16.106 -8.409 -8.358 1.00 0.79 H new ATOM 0 HB2 ASP A 78 13.370 -7.247 -8.988 1.00 0.84 H new ATOM 0 HB3 ASP A 78 14.847 -6.709 -9.763 1.00 0.84 H new ATOM 1185 N THR A 79 16.736 -6.309 -7.127 1.00 0.79 N ATOM 1186 CA THR A 79 17.143 -5.158 -6.316 1.00 0.82 C ATOM 1187 C THR A 79 17.006 -3.830 -7.053 1.00 0.73 C ATOM 1188 O THR A 79 17.702 -2.849 -6.759 1.00 0.78 O ATOM 1189 CB THR A 79 18.570 -5.304 -5.746 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.503 -5.554 -6.804 1.00 1.03 O ATOM 1191 CG2 THR A 79 18.646 -6.424 -4.715 1.00 1.15 C ATOM 0 H THR A 79 17.501 -6.759 -7.629 1.00 0.79 H new ATOM 0 HA THR A 79 16.445 -5.147 -5.479 1.00 0.82 H new ATOM 0 HB THR A 79 18.827 -4.368 -5.250 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.405 -5.643 -6.431 1.00 1.03 H new ATOM 0 HG21 THR A 79 19.664 -6.499 -4.334 1.00 1.15 H new ATOM 0 HG22 THR A 79 17.966 -6.207 -3.891 1.00 1.15 H new ATOM 0 HG23 THR A 79 18.362 -7.368 -5.181 1.00 1.15 H new ATOM 1199 N ASP A 80 16.079 -3.817 -7.996 1.00 0.66 N ATOM 1200 CA ASP A 80 15.754 -2.626 -8.776 1.00 0.67 C ATOM 1201 C ASP A 80 14.754 -1.750 -8.000 1.00 0.66 C ATOM 1202 O ASP A 80 14.232 -0.758 -8.520 1.00 0.74 O ATOM 1203 CB ASP A 80 15.177 -3.021 -10.143 1.00 0.77 C ATOM 1204 CG ASP A 80 16.219 -3.633 -11.062 1.00 1.18 C ATOM 1205 OD1 ASP A 80 16.383 -4.871 -11.032 1.00 1.72 O ATOM 1206 OD2 ASP A 80 16.868 -2.874 -11.811 1.00 1.86 O ATOM 0 H ASP A 80 15.525 -4.636 -8.247 1.00 0.66 H new ATOM 0 HA ASP A 80 16.666 -2.054 -8.944 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.363 -3.732 -9.998 1.00 0.77 H new ATOM 0 HB3 ASP A 80 14.749 -2.140 -10.621 1.00 0.77 H new ATOM 1211 N SER A 81 14.531 -2.134 -6.731 1.00 0.67 N ATOM 1212 CA SER A 81 13.595 -1.460 -5.824 1.00 0.75 C ATOM 1213 C SER A 81 14.151 -0.149 -5.239 1.00 0.68 C ATOM 1214 O SER A 81 13.371 0.727 -4.852 1.00 0.76 O ATOM 1215 CB SER A 81 13.238 -2.426 -4.691 1.00 0.92 C ATOM 1216 OG SER A 81 12.342 -1.841 -3.759 1.00 1.07 O ATOM 0 H SER A 81 15.003 -2.931 -6.304 1.00 0.67 H new ATOM 0 HA SER A 81 12.713 -1.185 -6.402 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.789 -3.327 -5.110 1.00 0.92 H new ATOM 0 HB3 SER A 81 14.148 -2.733 -4.176 1.00 0.92 H new ATOM 0 HG SER A 81 12.137 -2.488 -3.052 1.00 1.07 H new ATOM 1222 N GLU A 82 15.488 -0.015 -5.176 1.00 0.62 N ATOM 1223 CA GLU A 82 16.136 1.194 -4.625 1.00 0.63 C ATOM 1224 C GLU A 82 15.770 2.453 -5.429 1.00 0.57 C ATOM 1225 O GLU A 82 15.573 3.527 -4.854 1.00 0.58 O ATOM 1226 CB GLU A 82 17.660 1.014 -4.588 1.00 0.72 C ATOM 1227 CG GLU A 82 18.376 1.981 -3.649 1.00 0.78 C ATOM 1228 CD GLU A 82 19.883 1.814 -3.677 1.00 1.34 C ATOM 1229 OE1 GLU A 82 20.407 1.022 -2.865 1.00 1.65 O ATOM 1230 OE2 GLU A 82 20.539 2.474 -4.510 1.00 2.12 O ATOM 0 H GLU A 82 16.142 -0.727 -5.499 1.00 0.62 H new ATOM 0 HA GLU A 82 15.767 1.330 -3.608 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.888 -0.008 -4.284 1.00 0.72 H new ATOM 0 HB3 GLU A 82 18.055 1.142 -5.596 1.00 0.72 H new ATOM 0 HG2 GLU A 82 18.123 3.004 -3.925 1.00 0.78 H new ATOM 0 HG3 GLU A 82 18.016 1.827 -2.632 1.00 0.78 H new ATOM 1237 N GLU A 83 15.686 2.298 -6.754 1.00 0.55 N ATOM 1238 CA GLU A 83 15.336 3.400 -7.658 1.00 0.58 C ATOM 1239 C GLU A 83 13.818 3.612 -7.717 1.00 0.59 C ATOM 1240 O GLU A 83 13.348 4.657 -8.177 1.00 0.65 O ATOM 1241 CB GLU A 83 15.875 3.114 -9.063 1.00 0.64 C ATOM 1242 CG GLU A 83 17.372 3.343 -9.203 1.00 0.71 C ATOM 1243 CD GLU A 83 17.878 3.052 -10.603 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.897 3.984 -11.433 1.00 1.76 O ATOM 1245 OE2 GLU A 83 18.256 1.891 -10.867 1.00 1.27 O ATOM 0 H GLU A 83 15.857 1.411 -7.229 1.00 0.55 H new ATOM 0 HA GLU A 83 15.791 4.311 -7.271 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.649 2.081 -9.326 1.00 0.64 H new ATOM 0 HB3 GLU A 83 15.351 3.747 -9.779 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.604 4.376 -8.944 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.901 2.710 -8.491 1.00 0.71 H new ATOM 1252 N GLU A 84 13.068 2.607 -7.244 1.00 0.60 N ATOM 1253 CA GLU A 84 11.600 2.642 -7.239 1.00 0.68 C ATOM 1254 C GLU A 84 11.034 3.316 -5.983 1.00 0.63 C ATOM 1255 O GLU A 84 10.102 4.105 -6.081 1.00 0.69 O ATOM 1256 CB GLU A 84 11.027 1.216 -7.338 1.00 0.80 C ATOM 1257 CG GLU A 84 11.455 0.437 -8.579 1.00 1.14 C ATOM 1258 CD GLU A 84 10.666 0.816 -9.821 1.00 1.74 C ATOM 1259 OE1 GLU A 84 9.524 0.334 -9.969 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.193 1.594 -10.643 1.00 2.31 O ATOM 0 H GLU A 84 13.461 1.750 -6.855 1.00 0.60 H new ATOM 0 HA GLU A 84 11.302 3.231 -8.106 1.00 0.68 H new ATOM 0 HB2 GLU A 84 11.329 0.656 -6.453 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.939 1.275 -7.321 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.515 0.611 -8.762 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.335 -0.630 -8.391 1.00 1.14 H new ATOM 1267 N ILE A 85 11.629 3.010 -4.815 1.00 0.57 N ATOM 1268 CA ILE A 85 11.178 3.517 -3.495 1.00 0.54 C ATOM 1269 C ILE A 85 10.912 5.041 -3.440 1.00 0.50 C ATOM 1270 O ILE A 85 9.983 5.473 -2.751 1.00 0.50 O ATOM 1271 CB ILE A 85 12.177 3.063 -2.374 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.554 3.205 -0.978 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.516 3.806 -2.440 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.791 2.000 -0.089 1.00 0.57 C ATOM 0 H ILE A 85 12.444 2.399 -4.755 1.00 0.57 H new ATOM 0 HA ILE A 85 10.201 3.068 -3.318 1.00 0.54 H new ATOM 0 HB ILE A 85 12.383 2.009 -2.558 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.964 4.091 -0.493 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.481 3.366 -1.081 1.00 0.52 H new ATOM 0 HG21 ILE A 85 14.168 3.452 -1.642 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.989 3.619 -3.404 1.00 0.57 H new ATOM 0 HG23 ILE A 85 13.345 4.876 -2.321 1.00 0.57 H new ATOM 0 HD11 ILE A 85 11.324 2.167 0.882 1.00 0.57 H new ATOM 0 HD12 ILE A 85 11.357 1.114 -0.553 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.863 1.851 0.044 1.00 0.57 H new ATOM 1286 N ARG A 86 11.713 5.837 -4.154 1.00 0.50 N ATOM 1287 CA ARG A 86 11.546 7.285 -4.174 1.00 0.50 C ATOM 1288 C ARG A 86 10.377 7.727 -5.063 1.00 0.52 C ATOM 1289 O ARG A 86 9.689 8.702 -4.745 1.00 0.53 O ATOM 1290 CB ARG A 86 12.842 7.923 -4.631 1.00 0.54 C ATOM 1291 CG ARG A 86 13.895 7.993 -3.534 1.00 1.10 C ATOM 1292 CD ARG A 86 14.205 9.431 -3.137 1.00 1.26 C ATOM 1293 NE ARG A 86 13.016 10.187 -2.713 1.00 1.79 N ATOM 1294 CZ ARG A 86 12.935 11.526 -2.690 1.00 2.08 C ATOM 1295 NH1 ARG A 86 13.966 12.284 -3.060 1.00 1.78 N ATOM 1296 NH2 ARG A 86 11.811 12.110 -2.300 1.00 2.95 N ATOM 0 H ARG A 86 12.486 5.497 -4.727 1.00 0.50 H new ATOM 0 HA ARG A 86 11.304 7.616 -3.164 1.00 0.50 H new ATOM 0 HB2 ARG A 86 13.241 7.357 -5.473 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.636 8.930 -4.993 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.547 7.442 -2.660 1.00 1.10 H new ATOM 0 HG3 ARG A 86 14.808 7.505 -3.875 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.933 9.428 -2.326 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.670 9.941 -3.981 1.00 1.26 H new ATOM 0 HE ARG A 86 12.197 9.657 -2.416 1.00 1.79 H new ATOM 0 HH11 ARG A 86 14.835 11.848 -3.367 1.00 1.78 H new ATOM 0 HH12 ARG A 86 13.886 13.301 -3.036 1.00 1.78 H new ATOM 0 HH21 ARG A 86 11.012 11.542 -2.019 1.00 2.95 H new ATOM 0 HH22 ARG A 86 11.745 13.128 -2.281 1.00 2.95 H new ATOM 1310 N GLU A 87 10.163 7.006 -6.171 1.00 0.57 N ATOM 1311 CA GLU A 87 9.056 7.296 -7.100 1.00 0.63 C ATOM 1312 C GLU A 87 7.796 6.576 -6.644 1.00 0.62 C ATOM 1313 O GLU A 87 6.676 7.025 -6.905 1.00 0.65 O ATOM 1314 CB GLU A 87 9.423 6.876 -8.522 1.00 0.73 C ATOM 1315 CG GLU A 87 10.548 7.700 -9.132 1.00 0.77 C ATOM 1316 CD GLU A 87 10.928 7.236 -10.525 1.00 1.39 C ATOM 1317 OE1 GLU A 87 11.882 6.440 -10.646 1.00 2.08 O ATOM 1318 OE2 GLU A 87 10.270 7.669 -11.494 1.00 2.02 O ATOM 0 H GLU A 87 10.743 6.214 -6.449 1.00 0.57 H new ATOM 0 HA GLU A 87 8.871 8.370 -7.099 1.00 0.63 H new ATOM 0 HB2 GLU A 87 9.715 5.826 -8.517 1.00 0.73 H new ATOM 0 HB3 GLU A 87 8.540 6.958 -9.155 1.00 0.73 H new ATOM 0 HG2 GLU A 87 10.245 8.746 -9.173 1.00 0.77 H new ATOM 0 HG3 GLU A 87 11.423 7.647 -8.485 1.00 0.77 H new ATOM 1325 N ALA A 88 8.009 5.448 -5.957 1.00 0.60 N ATOM 1326 CA ALA A 88 6.937 4.649 -5.365 1.00 0.62 C ATOM 1327 C ALA A 88 6.299 5.427 -4.224 1.00 0.55 C ATOM 1328 O ALA A 88 5.203 5.094 -3.779 1.00 0.56 O ATOM 1329 CB ALA A 88 7.464 3.301 -4.927 1.00 0.70 C ATOM 0 H ALA A 88 8.940 5.063 -5.796 1.00 0.60 H new ATOM 0 HA ALA A 88 6.163 4.454 -6.107 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.654 2.719 -4.488 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.867 2.770 -5.789 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.252 3.441 -4.187 1.00 0.70 H new ATOM 1335 N PHE A 89 7.027 6.453 -3.731 1.00 0.51 N ATOM 1336 CA PHE A 89 6.482 7.343 -2.710 1.00 0.49 C ATOM 1337 C PHE A 89 5.672 8.430 -3.371 1.00 0.47 C ATOM 1338 O PHE A 89 4.697 8.912 -2.789 1.00 0.47 O ATOM 1339 CB PHE A 89 7.489 8.089 -1.832 1.00 0.51 C ATOM 1340 CG PHE A 89 6.895 8.268 -0.450 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.085 7.321 0.539 1.00 1.27 C ATOM 1342 CD2 PHE A 89 6.072 9.354 -0.179 1.00 1.19 C ATOM 1343 CE1 PHE A 89 6.470 7.450 1.770 1.00 1.29 C ATOM 1344 CE2 PHE A 89 5.465 9.492 1.052 1.00 1.22 C ATOM 1345 CZ PHE A 89 5.660 8.537 2.026 1.00 0.65 C ATOM 0 H PHE A 89 7.978 6.675 -4.025 1.00 0.51 H new ATOM 0 HA PHE A 89 5.920 6.663 -2.070 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.423 7.531 -1.772 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.725 9.059 -2.270 1.00 0.51 H new ATOM 0 HD1 PHE A 89 7.722 6.470 0.347 1.00 1.27 H new ATOM 0 HD2 PHE A 89 5.905 10.100 -0.942 1.00 1.19 H new ATOM 0 HE1 PHE A 89 6.624 6.700 2.532 1.00 1.29 H new ATOM 0 HE2 PHE A 89 4.837 10.348 1.252 1.00 1.22 H new ATOM 0 HZ PHE A 89 5.180 8.639 2.988 1.00 0.65 H new ATOM 1355 N ARG A 90 6.096 8.840 -4.586 1.00 0.50 N ATOM 1356 CA ARG A 90 5.399 9.892 -5.319 1.00 0.54 C ATOM 1357 C ARG A 90 3.914 9.537 -5.480 1.00 0.54 C ATOM 1358 O ARG A 90 3.065 10.375 -5.791 1.00 0.60 O ATOM 1359 CB ARG A 90 6.052 10.103 -6.684 1.00 0.62 C ATOM 1360 CG ARG A 90 6.110 11.554 -7.129 1.00 1.26 C ATOM 1361 CD ARG A 90 6.180 11.675 -8.644 1.00 1.50 C ATOM 1362 NE ARG A 90 7.507 11.328 -9.170 1.00 2.03 N ATOM 1363 CZ ARG A 90 7.862 11.406 -10.461 1.00 2.50 C ATOM 1364 NH1 ARG A 90 7.001 11.820 -11.389 1.00 2.61 N ATOM 1365 NH2 ARG A 90 9.091 11.065 -10.824 1.00 3.17 N ATOM 0 H ARG A 90 6.910 8.457 -5.067 1.00 0.50 H new ATOM 0 HA ARG A 90 5.470 10.821 -4.753 1.00 0.54 H new ATOM 0 HB2 ARG A 90 7.065 9.703 -6.655 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.503 9.528 -7.430 1.00 0.62 H new ATOM 0 HG2 ARG A 90 5.230 12.083 -6.762 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.981 12.037 -6.685 1.00 1.26 H new ATOM 0 HD2 ARG A 90 5.431 11.022 -9.093 1.00 1.50 H new ATOM 0 HD3 ARG A 90 5.931 12.695 -8.937 1.00 1.50 H new ATOM 0 HE ARG A 90 8.209 11.004 -8.505 1.00 2.03 H new ATOM 0 HH11 ARG A 90 6.053 12.085 -11.123 1.00 2.61 H new ATOM 0 HH12 ARG A 90 7.290 11.872 -12.366 1.00 2.61 H new ATOM 0 HH21 ARG A 90 9.760 10.746 -10.123 1.00 3.17 H new ATOM 0 HH22 ARG A 90 9.368 11.122 -11.804 1.00 3.17 H new ATOM 1379 N VAL A 91 3.669 8.250 -5.259 1.00 0.51 N ATOM 1380 CA VAL A 91 2.370 7.609 -5.264 1.00 0.53 C ATOM 1381 C VAL A 91 1.440 8.219 -4.182 1.00 0.54 C ATOM 1382 O VAL A 91 0.247 8.438 -4.409 1.00 0.60 O ATOM 1383 CB VAL A 91 2.639 6.103 -4.967 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.354 5.750 -3.513 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.910 5.183 -5.929 1.00 0.59 C ATOM 0 H VAL A 91 4.422 7.591 -5.060 1.00 0.51 H new ATOM 0 HA VAL A 91 1.866 7.749 -6.220 1.00 0.53 H new ATOM 0 HB VAL A 91 3.704 5.940 -5.132 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.555 4.691 -3.350 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.994 6.345 -2.862 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.309 5.961 -3.286 1.00 0.47 H new ATOM 0 HG21 VAL A 91 2.131 4.146 -5.678 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.836 5.354 -5.853 1.00 0.59 H new ATOM 0 HG23 VAL A 91 2.238 5.388 -6.948 1.00 0.59 H new ATOM 1395 N PHE A 92 2.048 8.474 -3.013 1.00 0.49 N ATOM 1396 CA PHE A 92 1.389 9.012 -1.839 1.00 0.54 C ATOM 1397 C PHE A 92 1.659 10.509 -1.738 1.00 0.60 C ATOM 1398 O PHE A 92 0.799 11.279 -1.300 1.00 0.69 O ATOM 1399 CB PHE A 92 1.911 8.233 -0.601 1.00 0.53 C ATOM 1400 CG PHE A 92 1.371 8.611 0.768 1.00 1.18 C ATOM 1401 CD1 PHE A 92 0.640 7.689 1.503 1.00 1.94 C ATOM 1402 CD2 PHE A 92 1.628 9.853 1.335 1.00 1.92 C ATOM 1403 CE1 PHE A 92 0.174 7.998 2.766 1.00 2.69 C ATOM 1404 CE2 PHE A 92 1.157 10.167 2.595 1.00 2.68 C ATOM 1405 CZ PHE A 92 0.430 9.238 3.311 1.00 2.89 C ATOM 0 H PHE A 92 3.043 8.302 -2.866 1.00 0.49 H new ATOM 0 HA PHE A 92 0.308 8.890 -1.899 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.701 7.175 -0.761 1.00 0.53 H new ATOM 0 HB3 PHE A 92 2.995 8.342 -0.572 1.00 0.53 H new ATOM 0 HD1 PHE A 92 0.432 6.716 1.082 1.00 1.94 H new ATOM 0 HD2 PHE A 92 2.203 10.582 0.784 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -0.391 7.268 3.327 1.00 2.69 H new ATOM 0 HE2 PHE A 92 1.358 11.139 3.020 1.00 2.68 H new ATOM 0 HZ PHE A 92 0.062 9.482 4.297 1.00 2.89 H new ATOM 1415 N ALA A 93 2.867 10.899 -2.151 1.00 0.57 N ATOM 1416 CA ALA A 93 3.287 12.303 -2.132 1.00 0.66 C ATOM 1417 C ALA A 93 2.714 13.064 -3.329 1.00 0.85 C ATOM 1418 O ALA A 93 2.865 12.629 -4.474 1.00 1.63 O ATOM 1419 CB ALA A 93 4.808 12.419 -2.106 1.00 0.65 C ATOM 0 H ALA A 93 3.576 10.257 -2.505 1.00 0.57 H new ATOM 0 HA ALA A 93 2.894 12.753 -1.221 1.00 0.66 H new ATOM 0 HB1 ALA A 93 5.092 13.471 -2.092 1.00 0.65 H new ATOM 0 HB2 ALA A 93 5.195 11.927 -1.214 1.00 0.65 H new ATOM 0 HB3 ALA A 93 5.224 11.942 -2.993 1.00 0.65 H new ATOM 1425 N LYS A 94 2.057 14.204 -3.055 1.00 1.24 N ATOM 1426 CA LYS A 94 1.447 15.025 -4.115 1.00 1.42 C ATOM 1427 C LYS A 94 2.477 15.884 -4.823 1.00 1.36 C ATOM 1428 O LYS A 94 2.428 16.053 -6.045 1.00 1.78 O ATOM 1429 CB LYS A 94 0.308 15.891 -3.563 1.00 1.75 C ATOM 1430 CG LYS A 94 -0.944 15.106 -3.203 1.00 2.06 C ATOM 1431 CD LYS A 94 -2.036 16.017 -2.660 1.00 2.52 C ATOM 1432 CE LYS A 94 -3.293 15.238 -2.296 1.00 2.90 C ATOM 1433 NZ LYS A 94 -3.119 14.437 -1.051 1.00 3.37 N ATOM 0 H LYS A 94 1.935 14.577 -2.113 1.00 1.24 H new ATOM 0 HA LYS A 94 1.027 14.338 -4.849 1.00 1.42 H new ATOM 0 HB2 LYS A 94 0.662 16.418 -2.677 1.00 1.75 H new ATOM 0 HB3 LYS A 94 0.050 16.649 -4.303 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -1.312 14.581 -4.085 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -0.698 14.348 -2.460 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -1.666 16.543 -1.780 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.281 16.775 -3.404 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -4.123 15.932 -2.166 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -3.558 14.574 -3.119 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -3.999 13.924 -0.842 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -2.344 13.756 -1.182 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -2.892 15.072 -0.259 1.00 3.37 H new ATOM 1447 N ASP A 95 3.399 16.418 -4.042 1.00 1.40 N ATOM 1448 CA ASP A 95 4.503 17.218 -4.568 1.00 1.71 C ATOM 1449 C ASP A 95 5.667 16.278 -4.851 1.00 1.53 C ATOM 1450 O ASP A 95 6.734 16.696 -5.316 1.00 1.84 O ATOM 1451 CB ASP A 95 4.960 18.290 -3.561 1.00 2.30 C ATOM 1452 CG ASP A 95 3.811 19.079 -2.953 1.00 2.81 C ATOM 1453 OD1 ASP A 95 3.293 18.657 -1.897 1.00 3.23 O ATOM 1454 OD2 ASP A 95 3.431 20.118 -3.533 1.00 3.21 O ATOM 0 H ASP A 95 3.408 16.313 -3.027 1.00 1.40 H new ATOM 0 HA ASP A 95 4.170 17.729 -5.471 1.00 1.71 H new ATOM 0 HB2 ASP A 95 5.524 17.809 -2.761 1.00 2.30 H new ATOM 0 HB3 ASP A 95 5.640 18.980 -4.060 1.00 2.30 H new ATOM 1459 N GLY A 96 5.424 14.981 -4.572 1.00 1.38 N ATOM 1460 CA GLY A 96 6.450 13.956 -4.724 1.00 1.83 C ATOM 1461 C GLY A 96 7.441 13.970 -3.565 1.00 1.85 C ATOM 1462 O GLY A 96 7.899 12.919 -3.109 1.00 2.43 O ATOM 0 H GLY A 96 4.525 14.630 -4.242 1.00 1.38 H new ATOM 0 HA2 GLY A 96 5.978 12.976 -4.787 1.00 1.83 H new ATOM 0 HA3 GLY A 96 6.984 14.113 -5.661 1.00 1.83 H new ATOM 1466 N ASN A 97 7.758 15.190 -3.103 1.00 1.55 N ATOM 1467 CA ASN A 97 8.682 15.436 -2.020 1.00 1.99 C ATOM 1468 C ASN A 97 8.310 16.707 -1.224 1.00 1.78 C ATOM 1469 O ASN A 97 7.311 17.370 -1.525 1.00 2.66 O ATOM 1470 CB ASN A 97 10.093 15.538 -2.621 1.00 2.43 C ATOM 1471 CG ASN A 97 10.343 16.761 -3.514 1.00 3.41 C ATOM 1472 OD1 ASN A 97 9.835 17.857 -3.270 1.00 4.01 O ATOM 1473 ND2 ASN A 97 11.136 16.566 -4.561 1.00 4.00 N ATOM 0 H ASN A 97 7.360 16.045 -3.492 1.00 1.55 H new ATOM 0 HA ASN A 97 8.639 14.614 -1.305 1.00 1.99 H new ATOM 0 HB2 ASN A 97 10.816 15.551 -1.806 1.00 2.43 H new ATOM 0 HB3 ASN A 97 10.287 14.638 -3.205 1.00 2.43 H new ATOM 0 HD21 ASN A 97 11.343 17.338 -5.195 1.00 4.00 H new ATOM 0 HD22 ASN A 97 11.539 15.644 -4.731 1.00 4.00 H new ATOM 1480 N GLY A 98 9.131 17.023 -0.213 1.00 1.20 N ATOM 1481 CA GLY A 98 8.943 18.207 0.599 1.00 1.80 C ATOM 1482 C GLY A 98 8.474 17.882 1.994 1.00 1.46 C ATOM 1483 O GLY A 98 9.227 18.036 2.960 1.00 1.68 O ATOM 0 H GLY A 98 9.938 16.460 0.055 1.00 1.20 H new ATOM 0 HA2 GLY A 98 9.882 18.759 0.654 1.00 1.80 H new ATOM 0 HA3 GLY A 98 8.216 18.862 0.118 1.00 1.80 H new ATOM 1487 N TYR A 99 7.219 17.462 2.100 1.00 1.07 N ATOM 1488 CA TYR A 99 6.613 17.113 3.395 1.00 0.84 C ATOM 1489 C TYR A 99 5.331 16.287 3.230 1.00 0.81 C ATOM 1490 O TYR A 99 4.475 16.641 2.414 1.00 0.96 O ATOM 1491 CB TYR A 99 6.311 18.384 4.220 1.00 1.07 C ATOM 1492 CG TYR A 99 5.497 19.446 3.496 1.00 1.57 C ATOM 1493 CD1 TYR A 99 4.109 19.448 3.560 1.00 2.28 C ATOM 1494 CD2 TYR A 99 6.121 20.441 2.754 1.00 2.37 C ATOM 1495 CE1 TYR A 99 3.366 20.412 2.905 1.00 3.13 C ATOM 1496 CE2 TYR A 99 5.385 21.408 2.096 1.00 3.24 C ATOM 1497 CZ TYR A 99 4.009 21.389 2.175 1.00 3.46 C ATOM 1498 OH TYR A 99 3.273 22.351 1.521 1.00 4.47 O ATOM 0 H TYR A 99 6.591 17.352 1.303 1.00 1.07 H new ATOM 0 HA TYR A 99 7.341 16.501 3.928 1.00 0.84 H new ATOM 0 HB2 TYR A 99 5.777 18.093 5.124 1.00 1.07 H new ATOM 0 HB3 TYR A 99 7.256 18.826 4.536 1.00 1.07 H new ATOM 0 HD1 TYR A 99 3.602 18.684 4.131 1.00 2.28 H new ATOM 0 HD2 TYR A 99 7.199 20.459 2.690 1.00 2.37 H new ATOM 0 HE1 TYR A 99 2.288 20.400 2.965 1.00 3.13 H new ATOM 0 HE2 TYR A 99 5.885 22.175 1.523 1.00 3.24 H new ATOM 0 HH TYR A 99 3.878 22.965 1.054 1.00 4.47 H new ATOM 1508 N ILE A 100 5.202 15.192 3.997 1.00 1.17 N ATOM 1509 CA ILE A 100 3.982 14.374 3.955 1.00 1.39 C ATOM 1510 C ILE A 100 3.469 14.066 5.369 1.00 1.13 C ATOM 1511 O ILE A 100 4.050 13.276 6.113 1.00 1.43 O ATOM 1512 CB ILE A 100 4.091 13.069 3.092 1.00 2.12 C ATOM 1513 CG1 ILE A 100 5.123 12.064 3.624 1.00 2.36 C ATOM 1514 CG2 ILE A 100 4.398 13.414 1.640 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.504 10.903 4.372 1.00 3.08 C ATOM 0 H ILE A 100 5.916 14.858 4.644 1.00 1.17 H new ATOM 0 HA ILE A 100 3.248 14.992 3.437 1.00 1.39 H new ATOM 0 HB ILE A 100 3.119 12.581 3.160 1.00 2.12 H new ATOM 0 HG12 ILE A 100 5.707 11.678 2.788 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.817 12.583 4.285 1.00 2.36 H new ATOM 0 HG21 ILE A 100 4.470 12.497 1.056 1.00 2.84 H new ATOM 0 HG22 ILE A 100 3.600 14.039 1.238 1.00 2.84 H new ATOM 0 HG23 ILE A 100 5.343 13.954 1.586 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.291 10.233 4.719 1.00 3.08 H new ATOM 0 HD12 ILE A 100 3.943 11.279 5.228 1.00 3.08 H new ATOM 0 HD13 ILE A 100 3.832 10.360 3.708 1.00 3.08 H new ATOM 1527 N SER A 101 2.379 14.744 5.718 1.00 0.79 N ATOM 1528 CA SER A 101 1.697 14.617 7.009 1.00 0.64 C ATOM 1529 C SER A 101 1.119 13.244 7.235 1.00 0.64 C ATOM 1530 O SER A 101 0.468 12.673 6.360 1.00 0.70 O ATOM 1531 CB SER A 101 0.583 15.665 7.102 1.00 0.71 C ATOM 1532 OG SER A 101 0.067 15.756 8.421 1.00 1.45 O ATOM 0 H SER A 101 1.931 15.416 5.095 1.00 0.79 H new ATOM 0 HA SER A 101 2.445 14.780 7.785 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.968 16.636 6.793 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.220 15.406 6.412 1.00 0.71 H new ATOM 0 HG SER A 101 0.808 15.835 9.057 1.00 1.45 H new ATOM 1538 N ALA A 102 1.405 12.716 8.430 1.00 0.72 N ATOM 1539 CA ALA A 102 0.862 11.425 8.878 1.00 0.83 C ATOM 1540 C ALA A 102 -0.672 11.437 8.802 1.00 0.77 C ATOM 1541 O ALA A 102 -1.323 10.393 8.880 1.00 0.87 O ATOM 1542 CB ALA A 102 1.318 11.123 10.295 1.00 1.01 C ATOM 0 H ALA A 102 2.015 13.167 9.112 1.00 0.72 H new ATOM 0 HA ALA A 102 1.237 10.642 8.219 1.00 0.83 H new ATOM 0 HB1 ALA A 102 0.908 10.164 10.613 1.00 1.01 H new ATOM 0 HB2 ALA A 102 2.407 11.080 10.326 1.00 1.01 H new ATOM 0 HB3 ALA A 102 0.967 11.908 10.965 1.00 1.01 H new ATOM 1548 N ALA A 103 -1.223 12.658 8.653 1.00 0.68 N ATOM 1549 CA ALA A 103 -2.665 12.885 8.523 1.00 0.71 C ATOM 1550 C ALA A 103 -3.157 12.499 7.124 1.00 0.64 C ATOM 1551 O ALA A 103 -4.357 12.316 6.910 1.00 0.71 O ATOM 1552 CB ALA A 103 -2.997 14.340 8.819 1.00 0.84 C ATOM 0 H ALA A 103 -0.672 13.515 8.620 1.00 0.68 H new ATOM 0 HA ALA A 103 -3.177 12.252 9.248 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.071 14.496 8.719 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -2.688 14.584 9.835 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.470 14.984 8.115 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.205 12.381 6.177 1.00 0.59 N ATOM 1559 CA GLU A 104 -2.491 12.002 4.789 1.00 0.69 C ATOM 1560 C GLU A 104 -3.053 10.581 4.681 1.00 0.67 C ATOM 1561 O GLU A 104 -3.648 10.222 3.661 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.252 12.149 3.930 1.00 0.85 C ATOM 1563 CG GLU A 104 -0.930 13.591 3.576 1.00 0.99 C ATOM 1564 CD GLU A 104 0.132 13.707 2.502 1.00 1.24 C ATOM 1565 OE1 GLU A 104 -0.168 13.383 1.333 1.00 1.81 O ATOM 1566 OE2 GLU A 104 1.260 14.127 2.826 1.00 1.65 O ATOM 0 H GLU A 104 -1.215 12.547 6.359 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.259 12.683 4.422 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -0.402 11.713 4.454 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -1.386 11.578 3.011 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -1.839 14.089 3.238 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -0.594 14.114 4.471 1.00 0.99 H new ATOM 1573 N LEU A 105 -2.837 9.774 5.742 1.00 0.68 N ATOM 1574 CA LEU A 105 -3.345 8.400 5.838 1.00 0.80 C ATOM 1575 C LEU A 105 -4.835 8.307 5.574 1.00 0.68 C ATOM 1576 O LEU A 105 -5.340 7.287 5.095 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.047 7.857 7.228 1.00 1.07 C ATOM 1578 CG LEU A 105 -1.872 6.898 7.306 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -0.773 7.474 8.181 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -2.336 5.546 7.825 1.00 1.81 C ATOM 0 H LEU A 105 -2.300 10.066 6.559 1.00 0.68 H new ATOM 0 HA LEU A 105 -2.843 7.811 5.071 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -2.856 8.697 7.896 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -3.936 7.349 7.601 1.00 1.07 H new ATOM 0 HG LEU A 105 -1.462 6.757 6.306 1.00 1.38 H new ATOM 0 HD11 LEU A 105 0.061 6.774 8.226 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -0.431 8.419 7.760 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -1.159 7.643 9.186 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -1.486 4.865 7.877 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -2.767 5.666 8.819 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.088 5.136 7.151 1.00 1.81 H new ATOM 1592 N ARG A 106 -5.508 9.388 5.897 1.00 0.65 N ATOM 1593 CA ARG A 106 -6.935 9.509 5.728 1.00 0.68 C ATOM 1594 C ARG A 106 -7.302 9.950 4.303 1.00 0.66 C ATOM 1595 O ARG A 106 -8.411 9.679 3.840 1.00 0.74 O ATOM 1596 CB ARG A 106 -7.439 10.453 6.816 1.00 0.79 C ATOM 1597 CG ARG A 106 -7.344 11.946 6.504 1.00 0.97 C ATOM 1598 CD ARG A 106 -7.852 12.791 7.661 1.00 1.46 C ATOM 1599 NE ARG A 106 -7.760 14.227 7.374 1.00 1.70 N ATOM 1600 CZ ARG A 106 -8.114 15.201 8.226 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -8.591 14.917 9.437 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -7.988 16.469 7.860 1.00 2.39 N ATOM 0 H ARG A 106 -5.070 10.221 6.291 1.00 0.65 H new ATOM 0 HA ARG A 106 -7.429 8.544 5.843 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -8.481 10.211 7.025 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -6.877 10.256 7.729 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -6.308 12.208 6.288 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -7.923 12.169 5.608 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -8.889 12.529 7.873 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.275 12.563 8.557 1.00 1.46 H new ATOM 0 HE ARG A 106 -7.401 14.505 6.461 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -8.692 13.945 9.730 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -8.855 15.671 10.071 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -7.624 16.699 6.935 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -8.255 17.214 8.503 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.361 10.630 3.613 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.599 11.081 2.238 1.00 0.82 C ATOM 1618 C HIS A 107 -6.403 9.958 1.219 1.00 0.87 C ATOM 1619 O HIS A 107 -7.132 9.899 0.230 1.00 1.00 O ATOM 1620 CB HIS A 107 -5.693 12.263 1.895 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.104 13.546 2.550 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -6.807 14.535 1.893 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -5.908 14.002 3.811 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -7.024 15.543 2.720 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -6.489 15.243 3.889 1.00 1.46 N ATOM 0 H HIS A 107 -5.443 10.873 3.986 1.00 0.67 H new ATOM 0 HA HIS A 107 -7.641 11.398 2.183 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -4.672 12.025 2.192 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.687 12.403 0.814 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -5.391 13.485 4.606 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -7.549 16.456 2.480 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -6.505 15.838 4.717 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.419 9.073 1.457 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.156 7.937 0.560 1.00 1.11 C ATOM 1636 C VAL A 108 -6.348 6.964 0.567 1.00 0.96 C ATOM 1637 O VAL A 108 -6.821 6.549 -0.495 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.839 7.174 0.923 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -3.567 6.017 -0.041 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.643 8.117 0.928 1.00 0.86 C ATOM 0 H VAL A 108 -4.794 9.124 2.262 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.024 8.348 -0.441 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.980 6.765 1.924 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -2.644 5.514 0.246 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -4.394 5.308 -0.001 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.469 6.404 -1.055 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.742 7.560 1.183 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.527 8.562 -0.060 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -2.804 8.905 1.664 1.00 0.86 H new ATOM 1650 N MET A 109 -6.815 6.603 1.775 1.00 0.88 N ATOM 1651 CA MET A 109 -7.953 5.702 1.941 1.00 0.80 C ATOM 1652 C MET A 109 -9.263 6.274 1.424 1.00 0.72 C ATOM 1653 O MET A 109 -10.063 5.538 0.848 1.00 0.73 O ATOM 1654 CB MET A 109 -8.063 5.272 3.407 1.00 0.80 C ATOM 1655 CG MET A 109 -7.417 3.944 3.655 1.00 1.72 C ATOM 1656 SD MET A 109 -7.628 3.366 5.348 1.00 2.24 S ATOM 1657 CE MET A 109 -8.310 1.733 5.063 1.00 3.24 C ATOM 0 H MET A 109 -6.413 6.929 2.654 1.00 0.88 H new ATOM 0 HA MET A 109 -7.763 4.826 1.322 1.00 0.80 H new ATOM 0 HB2 MET A 109 -7.596 6.026 4.041 1.00 0.80 H new ATOM 0 HB3 MET A 109 -9.114 5.222 3.692 1.00 0.80 H new ATOM 0 HG2 MET A 109 -7.838 3.208 2.970 1.00 1.72 H new ATOM 0 HG3 MET A 109 -6.353 4.016 3.431 1.00 1.72 H new ATOM 0 HE1 MET A 109 -8.106 1.098 5.925 1.00 3.24 H new ATOM 0 HE2 MET A 109 -9.387 1.809 4.915 1.00 3.24 H new ATOM 0 HE3 MET A 109 -7.852 1.297 4.175 1.00 3.24 H new ATOM 1667 N THR A 110 -9.467 7.576 1.588 1.00 0.72 N ATOM 1668 CA THR A 110 -10.688 8.219 1.089 1.00 0.77 C ATOM 1669 C THR A 110 -10.506 8.541 -0.397 1.00 0.89 C ATOM 1670 O THR A 110 -11.486 8.796 -1.103 1.00 0.97 O ATOM 1671 CB THR A 110 -11.062 9.486 1.899 1.00 0.83 C ATOM 1672 OG1 THR A 110 -10.934 9.221 3.301 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.493 9.941 1.613 1.00 0.97 C ATOM 0 H THR A 110 -8.815 8.205 2.056 1.00 0.72 H new ATOM 0 HA THR A 110 -11.521 7.527 1.215 1.00 0.77 H new ATOM 0 HB THR A 110 -10.380 10.280 1.596 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.032 9.462 3.598 1.00 0.78 H new ATOM 0 HG21 THR A 110 -12.716 10.832 2.200 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.597 10.170 0.552 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.188 9.146 1.882 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.233 8.543 -0.858 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.923 8.726 -2.282 1.00 1.14 C ATOM 1683 C ASN A 111 -9.576 7.561 -3.028 1.00 1.13 C ATOM 1684 O ASN A 111 -9.996 7.688 -4.182 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.411 8.745 -2.527 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.030 9.555 -3.753 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.981 9.032 -4.865 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -6.757 10.839 -3.553 1.00 1.85 N ATOM 0 H ASN A 111 -8.414 8.420 -0.263 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.306 9.684 -2.635 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.910 9.159 -1.652 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.053 7.722 -2.646 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.494 11.433 -4.339 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -6.810 11.231 -2.613 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.639 6.416 -2.315 1.00 1.02 N ATOM 1696 CA LEU A 112 -10.319 5.218 -2.789 1.00 1.04 C ATOM 1697 C LEU A 112 -11.763 5.269 -2.267 1.00 0.95 C ATOM 1698 O LEU A 112 -12.660 4.609 -2.797 1.00 1.02 O ATOM 1699 CB LEU A 112 -9.618 3.951 -2.278 1.00 1.07 C ATOM 1700 CG LEU A 112 -8.163 3.769 -2.729 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -7.345 3.114 -1.626 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -8.094 2.937 -4.002 1.00 1.54 C ATOM 0 H LEU A 112 -9.215 6.309 -1.394 1.00 1.02 H new ATOM 0 HA LEU A 112 -10.301 5.185 -3.878 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -9.643 3.958 -1.188 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -10.192 3.084 -2.604 1.00 1.07 H new ATOM 0 HG LEU A 112 -7.744 4.753 -2.939 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -6.315 2.991 -1.961 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -7.365 3.743 -0.736 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.768 2.138 -1.390 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -7.053 2.820 -4.304 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -8.531 1.955 -3.819 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -8.648 3.439 -4.795 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.945 6.084 -1.203 1.00 0.83 N ATOM 1715 CA GLY A 113 -13.245 6.294 -0.574 1.00 0.82 C ATOM 1716 C GLY A 113 -13.585 5.269 0.483 1.00 0.76 C ATOM 1717 O GLY A 113 -14.755 4.950 0.709 1.00 0.82 O ATOM 0 H GLY A 113 -11.188 6.609 -0.765 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -13.264 7.286 -0.124 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -14.017 6.278 -1.343 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.540 4.765 1.120 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.627 3.765 2.176 1.00 0.70 C ATOM 1723 C GLU A 114 -13.365 4.299 3.393 1.00 0.73 C ATOM 1724 O GLU A 114 -13.316 5.498 3.685 1.00 0.73 O ATOM 1725 CB GLU A 114 -11.225 3.355 2.576 1.00 0.70 C ATOM 1726 CG GLU A 114 -10.656 2.214 1.741 1.00 0.79 C ATOM 1727 CD GLU A 114 -11.067 0.846 2.254 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -10.340 0.288 3.104 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -12.114 0.333 1.807 1.00 2.12 O ATOM 0 H GLU A 114 -11.582 5.047 0.912 1.00 0.70 H new ATOM 0 HA GLU A 114 -13.185 2.909 1.797 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.566 4.219 2.491 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -11.228 3.059 3.625 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -10.989 2.325 0.709 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -9.568 2.282 1.734 1.00 0.79 H new ATOM 1736 N LYS A 115 -14.041 3.396 4.090 1.00 0.82 N ATOM 1737 CA LYS A 115 -14.815 3.738 5.239 1.00 0.92 C ATOM 1738 C LYS A 115 -14.211 3.204 6.531 1.00 1.06 C ATOM 1739 O LYS A 115 -14.083 1.991 6.734 1.00 1.21 O ATOM 1740 CB LYS A 115 -16.218 3.217 5.044 1.00 1.04 C ATOM 1741 CG LYS A 115 -16.915 3.807 3.817 1.00 1.05 C ATOM 1742 CD LYS A 115 -17.931 2.842 3.211 1.00 1.31 C ATOM 1743 CE LYS A 115 -17.316 1.995 2.102 1.00 1.23 C ATOM 1744 NZ LYS A 115 -18.305 1.054 1.508 1.00 1.56 N ATOM 0 H LYS A 115 -14.057 2.403 3.859 1.00 0.82 H new ATOM 0 HA LYS A 115 -14.826 4.823 5.339 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -16.186 2.132 4.949 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -16.809 3.441 5.932 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -17.418 4.733 4.097 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -16.168 4.065 3.066 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -18.323 2.190 3.991 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -18.775 3.405 2.813 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -16.923 2.648 1.323 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -16.473 1.431 2.501 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -17.847 0.497 0.758 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -18.662 0.414 2.246 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -19.098 1.593 1.104 1.00 1.56 H new ATOM 1758 N LEU A 116 -13.837 4.146 7.385 1.00 1.10 N ATOM 1759 CA LEU A 116 -13.241 3.862 8.691 1.00 1.28 C ATOM 1760 C LEU A 116 -13.912 4.716 9.766 1.00 1.19 C ATOM 1761 O LEU A 116 -14.647 5.655 9.441 1.00 1.19 O ATOM 1762 CB LEU A 116 -11.728 4.132 8.658 1.00 1.54 C ATOM 1763 CG LEU A 116 -10.834 2.891 8.774 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -9.521 3.117 8.046 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -10.571 2.548 10.235 1.00 3.12 C ATOM 0 H LEU A 116 -13.938 5.142 7.192 1.00 1.10 H new ATOM 0 HA LEU A 116 -13.397 2.810 8.929 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -11.488 4.645 7.727 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -11.480 4.814 9.471 1.00 1.54 H new ATOM 0 HG LEU A 116 -11.354 2.052 8.312 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -8.897 2.228 8.137 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -9.719 3.316 6.993 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -9.004 3.970 8.485 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -9.935 1.665 10.293 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -10.073 3.386 10.722 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -11.517 2.347 10.738 1.00 3.12 H new ATOM 1777 N THR A 117 -13.663 4.397 11.047 1.00 1.15 N ATOM 1778 CA THR A 117 -14.240 5.173 12.151 1.00 1.08 C ATOM 1779 C THR A 117 -13.376 6.407 12.418 1.00 0.99 C ATOM 1780 O THR A 117 -12.183 6.415 12.098 1.00 0.98 O ATOM 1781 CB THR A 117 -14.386 4.343 13.451 1.00 1.04 C ATOM 1782 OG1 THR A 117 -14.497 2.948 13.142 1.00 1.34 O ATOM 1783 CG2 THR A 117 -15.619 4.776 14.238 1.00 1.40 C ATOM 0 H THR A 117 -13.074 3.617 11.339 1.00 1.15 H new ATOM 0 HA THR A 117 -15.243 5.473 11.847 1.00 1.08 H new ATOM 0 HB THR A 117 -13.496 4.516 14.057 1.00 1.04 H new ATOM 0 HG1 THR A 117 -14.078 2.421 13.854 1.00 1.34 H new ATOM 0 HG21 THR A 117 -15.699 4.179 15.146 1.00 1.40 H new ATOM 0 HG22 THR A 117 -15.530 5.829 14.503 1.00 1.40 H new ATOM 0 HG23 THR A 117 -16.510 4.630 13.628 1.00 1.40 H new ATOM 1791 N ASP A 118 -13.986 7.444 13.003 1.00 1.00 N ATOM 1792 CA ASP A 118 -13.290 8.708 13.295 1.00 1.00 C ATOM 1793 C ASP A 118 -12.083 8.519 14.221 1.00 0.90 C ATOM 1794 O ASP A 118 -11.044 9.148 14.015 1.00 0.96 O ATOM 1795 CB ASP A 118 -14.262 9.720 13.911 1.00 1.07 C ATOM 1796 CG ASP A 118 -15.284 10.231 12.912 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -15.006 11.251 12.247 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -16.362 9.610 12.795 1.00 2.05 O ATOM 0 H ASP A 118 -14.966 7.435 13.286 1.00 1.00 H new ATOM 0 HA ASP A 118 -12.914 9.086 12.345 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -14.780 9.256 14.750 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -13.698 10.563 14.311 1.00 1.07 H new ATOM 1803 N GLU A 119 -12.230 7.651 15.232 1.00 0.82 N ATOM 1804 CA GLU A 119 -11.160 7.386 16.188 1.00 0.81 C ATOM 1805 C GLU A 119 -10.242 6.247 15.757 1.00 0.77 C ATOM 1806 O GLU A 119 -9.066 6.237 16.136 1.00 0.78 O ATOM 1807 CB GLU A 119 -11.731 7.106 17.583 1.00 0.89 C ATOM 1808 CG GLU A 119 -12.276 8.341 18.285 1.00 1.11 C ATOM 1809 CD GLU A 119 -12.832 8.032 19.661 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -12.059 8.094 20.641 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -14.039 7.728 19.760 1.00 2.07 O ATOM 0 H GLU A 119 -13.085 7.122 15.404 1.00 0.82 H new ATOM 0 HA GLU A 119 -10.551 8.290 16.222 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -12.528 6.367 17.497 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -10.951 6.663 18.202 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -11.482 9.082 18.376 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -13.060 8.787 17.672 1.00 1.11 H new ATOM 1818 N GLU A 120 -10.767 5.284 14.977 1.00 0.77 N ATOM 1819 CA GLU A 120 -9.976 4.164 14.490 1.00 0.80 C ATOM 1820 C GLU A 120 -8.785 4.658 13.670 1.00 0.80 C ATOM 1821 O GLU A 120 -7.664 4.179 13.857 1.00 0.81 O ATOM 1822 CB GLU A 120 -10.861 3.228 13.669 1.00 0.97 C ATOM 1823 CG GLU A 120 -11.524 2.137 14.497 1.00 1.21 C ATOM 1824 CD GLU A 120 -12.038 0.979 13.657 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -11.219 0.330 12.970 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -13.257 0.712 13.697 1.00 1.93 O ATOM 0 H GLU A 120 -11.741 5.269 14.675 1.00 0.77 H new ATOM 0 HA GLU A 120 -9.580 3.611 15.342 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -11.633 3.815 13.171 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -10.259 2.765 12.887 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -10.809 1.759 15.227 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -12.354 2.568 15.057 1.00 1.21 H new ATOM 1833 N VAL A 121 -9.036 5.620 12.767 1.00 0.84 N ATOM 1834 CA VAL A 121 -7.996 6.208 11.979 1.00 0.92 C ATOM 1835 C VAL A 121 -7.314 7.367 12.707 1.00 0.88 C ATOM 1836 O VAL A 121 -6.209 7.744 12.333 1.00 0.93 O ATOM 1837 CB VAL A 121 -8.494 6.608 10.575 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -8.742 8.085 10.457 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -7.476 6.170 9.561 1.00 2.24 C ATOM 0 H VAL A 121 -9.966 5.994 12.580 1.00 0.84 H new ATOM 0 HA VAL A 121 -7.234 5.442 11.832 1.00 0.92 H new ATOM 0 HB VAL A 121 -9.449 6.114 10.396 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -9.091 8.316 9.451 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -9.499 8.386 11.182 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -7.816 8.626 10.653 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -7.815 6.446 8.563 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -6.523 6.657 9.768 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -7.350 5.089 9.615 1.00 2.24 H new ATOM 1849 N ASP A 122 -7.971 7.930 13.741 1.00 0.86 N ATOM 1850 CA ASP A 122 -7.377 9.034 14.506 1.00 0.95 C ATOM 1851 C ASP A 122 -6.235 8.515 15.375 1.00 0.84 C ATOM 1852 O ASP A 122 -5.349 9.271 15.779 1.00 0.89 O ATOM 1853 CB ASP A 122 -8.427 9.746 15.364 1.00 1.08 C ATOM 1854 CG ASP A 122 -8.085 11.204 15.618 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -8.465 12.056 14.788 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -7.439 11.492 16.647 1.00 1.76 O ATOM 0 H ASP A 122 -8.897 7.642 14.058 1.00 0.86 H new ATOM 0 HA ASP A 122 -6.980 9.762 13.799 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -9.396 9.685 14.869 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -8.523 9.228 16.318 1.00 1.08 H new ATOM 1861 N GLU A 123 -6.293 7.215 15.659 1.00 0.75 N ATOM 1862 CA GLU A 123 -5.269 6.530 16.423 1.00 0.73 C ATOM 1863 C GLU A 123 -4.166 6.052 15.495 1.00 0.65 C ATOM 1864 O GLU A 123 -2.987 6.158 15.826 1.00 0.65 O ATOM 1865 CB GLU A 123 -5.861 5.358 17.213 1.00 0.78 C ATOM 1866 CG GLU A 123 -6.542 5.776 18.506 1.00 0.92 C ATOM 1867 CD GLU A 123 -7.121 4.599 19.267 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -8.291 4.245 19.012 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -6.403 4.031 20.117 1.00 1.87 O ATOM 0 H GLU A 123 -7.058 6.610 15.361 1.00 0.75 H new ATOM 0 HA GLU A 123 -4.846 7.231 17.142 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -6.582 4.835 16.585 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -5.066 4.648 17.444 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -5.823 6.295 19.140 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -7.338 6.485 18.280 1.00 0.92 H new ATOM 1876 N MET A 124 -4.567 5.542 14.317 1.00 0.63 N ATOM 1877 CA MET A 124 -3.615 5.090 13.295 1.00 0.64 C ATOM 1878 C MET A 124 -2.912 6.301 12.705 1.00 0.64 C ATOM 1879 O MET A 124 -1.816 6.197 12.147 1.00 0.67 O ATOM 1880 CB MET A 124 -4.310 4.295 12.177 1.00 0.70 C ATOM 1881 CG MET A 124 -5.091 3.077 12.653 1.00 1.18 C ATOM 1882 SD MET A 124 -4.043 1.831 13.428 1.00 2.12 S ATOM 1883 CE MET A 124 -5.258 0.589 13.861 1.00 2.40 C ATOM 0 H MET A 124 -5.546 5.434 14.052 1.00 0.63 H new ATOM 0 HA MET A 124 -2.893 4.425 13.769 1.00 0.64 H new ATOM 0 HB2 MET A 124 -4.990 4.961 11.645 1.00 0.70 H new ATOM 0 HB3 MET A 124 -3.557 3.969 11.459 1.00 0.70 H new ATOM 0 HG2 MET A 124 -5.854 3.396 13.363 1.00 1.18 H new ATOM 0 HG3 MET A 124 -5.611 2.631 11.805 1.00 1.18 H new ATOM 0 HE1 MET A 124 -4.763 -0.249 14.351 1.00 2.40 H new ATOM 0 HE2 MET A 124 -5.995 1.021 14.538 1.00 2.40 H new ATOM 0 HE3 MET A 124 -5.757 0.238 12.958 1.00 2.40 H new ATOM 1893 N ILE A 125 -3.580 7.450 12.846 1.00 0.65 N ATOM 1894 CA ILE A 125 -3.061 8.722 12.399 1.00 0.70 C ATOM 1895 C ILE A 125 -2.141 9.289 13.480 1.00 0.66 C ATOM 1896 O ILE A 125 -1.128 9.927 13.179 1.00 0.68 O ATOM 1897 CB ILE A 125 -4.227 9.709 12.110 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -3.998 10.468 10.805 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -4.444 10.693 13.261 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -4.660 9.823 9.607 1.00 0.70 C ATOM 0 H ILE A 125 -4.502 7.511 13.278 1.00 0.65 H new ATOM 0 HA ILE A 125 -2.498 8.583 11.476 1.00 0.70 H new ATOM 0 HB ILE A 125 -5.130 9.107 12.010 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -4.375 11.485 10.915 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -2.926 10.543 10.621 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -5.268 11.363 13.016 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -4.683 10.142 14.171 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -3.536 11.276 13.417 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -4.455 10.416 8.715 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -4.266 8.816 9.472 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -5.737 9.772 9.770 1.00 0.70 H new ATOM 1912 N ARG A 126 -2.523 9.034 14.752 1.00 0.65 N ATOM 1913 CA ARG A 126 -1.763 9.521 15.889 1.00 0.68 C ATOM 1914 C ARG A 126 -0.585 8.640 16.224 1.00 0.64 C ATOM 1915 O ARG A 126 0.290 9.007 17.014 1.00 0.69 O ATOM 1916 CB ARG A 126 -2.657 9.771 17.109 1.00 0.76 C ATOM 1917 CG ARG A 126 -2.254 10.988 17.932 1.00 1.02 C ATOM 1918 CD ARG A 126 -3.223 11.232 19.077 1.00 1.07 C ATOM 1919 NE ARG A 126 -2.868 12.425 19.854 1.00 1.63 N ATOM 1920 CZ ARG A 126 -3.680 13.036 20.730 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -4.911 12.582 20.961 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -3.253 14.111 21.378 1.00 2.58 N ATOM 0 H ARG A 126 -3.352 8.494 15.000 1.00 0.65 H new ATOM 0 HA ARG A 126 -1.348 10.484 15.590 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -3.686 9.897 16.773 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -2.636 8.889 17.749 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -1.249 10.844 18.329 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -2.219 11.868 17.289 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -4.232 11.345 18.680 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -3.234 10.362 19.734 1.00 1.07 H new ATOM 0 HE ARG A 126 -1.937 12.818 19.718 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -5.251 11.756 20.468 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -5.514 13.060 21.631 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -2.313 14.468 21.209 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -3.865 14.581 22.045 1.00 2.58 H new ATOM 1936 N GLU A 127 -0.588 7.486 15.606 1.00 0.59 N ATOM 1937 CA GLU A 127 0.491 6.511 15.749 1.00 0.59 C ATOM 1938 C GLU A 127 1.723 6.990 14.967 1.00 0.59 C ATOM 1939 O GLU A 127 2.781 6.351 14.995 1.00 0.63 O ATOM 1940 CB GLU A 127 0.046 5.137 15.247 1.00 0.61 C ATOM 1941 CG GLU A 127 -0.721 4.322 16.281 1.00 0.66 C ATOM 1942 CD GLU A 127 -0.874 2.869 15.880 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -1.818 2.558 15.124 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -0.051 2.041 16.322 1.00 2.06 O ATOM 0 H GLU A 127 -1.338 7.184 14.984 1.00 0.59 H new ATOM 0 HA GLU A 127 0.747 6.420 16.804 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -0.580 5.269 14.365 1.00 0.61 H new ATOM 0 HB3 GLU A 127 0.925 4.573 14.933 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -0.204 4.378 17.239 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -1.708 4.761 16.425 1.00 0.66 H new ATOM 1951 N ALA A 128 1.559 8.139 14.276 1.00 0.59 N ATOM 1952 CA ALA A 128 2.630 8.727 13.458 1.00 0.64 C ATOM 1953 C ALA A 128 2.675 10.259 13.557 1.00 0.63 C ATOM 1954 O ALA A 128 3.537 10.895 12.938 1.00 0.65 O ATOM 1955 CB ALA A 128 2.464 8.309 12.002 1.00 0.72 C ATOM 0 H ALA A 128 0.691 8.675 14.272 1.00 0.59 H new ATOM 0 HA ALA A 128 3.575 8.349 13.849 1.00 0.64 H new ATOM 0 HB1 ALA A 128 3.262 8.749 11.404 1.00 0.72 H new ATOM 0 HB2 ALA A 128 2.512 7.223 11.928 1.00 0.72 H new ATOM 0 HB3 ALA A 128 1.499 8.656 11.632 1.00 0.72 H new ATOM 1961 N ALA A 129 1.761 10.854 14.345 1.00 0.67 N ATOM 1962 CA ALA A 129 1.705 12.315 14.512 1.00 0.72 C ATOM 1963 C ALA A 129 2.954 12.845 15.225 1.00 0.77 C ATOM 1964 O ALA A 129 3.163 12.586 16.416 1.00 0.86 O ATOM 1965 CB ALA A 129 0.442 12.713 15.268 1.00 0.83 C ATOM 0 H ALA A 129 1.053 10.345 14.875 1.00 0.67 H new ATOM 0 HA ALA A 129 1.676 12.767 13.520 1.00 0.72 H new ATOM 0 HB1 ALA A 129 0.414 13.796 15.384 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -0.435 12.385 14.710 1.00 0.83 H new ATOM 0 HB3 ALA A 129 0.443 12.242 16.251 1.00 0.83 H new ATOM 1971 N ILE A 130 3.785 13.576 14.472 1.00 0.77 N ATOM 1972 CA ILE A 130 5.018 14.139 14.980 1.00 0.87 C ATOM 1973 C ILE A 130 4.820 15.577 15.474 1.00 1.01 C ATOM 1974 O ILE A 130 4.398 16.451 14.711 1.00 1.27 O ATOM 1975 CB ILE A 130 6.134 14.069 13.899 1.00 0.91 C ATOM 1976 CG1 ILE A 130 5.800 14.880 12.627 1.00 1.07 C ATOM 1977 CG2 ILE A 130 6.400 12.616 13.517 1.00 1.28 C ATOM 1978 CD1 ILE A 130 6.995 15.583 12.016 1.00 1.57 C ATOM 0 H ILE A 130 3.610 13.788 13.490 1.00 0.77 H new ATOM 0 HA ILE A 130 5.330 13.542 15.837 1.00 0.87 H new ATOM 0 HB ILE A 130 7.023 14.517 14.342 1.00 0.91 H new ATOM 0 HG12 ILE A 130 5.366 14.210 11.884 1.00 1.07 H new ATOM 0 HG13 ILE A 130 5.040 15.622 12.870 1.00 1.07 H new ATOM 0 HG21 ILE A 130 7.183 12.576 12.760 1.00 1.28 H new ATOM 0 HG22 ILE A 130 6.720 12.061 14.399 1.00 1.28 H new ATOM 0 HG23 ILE A 130 5.488 12.171 13.119 1.00 1.28 H new ATOM 0 HD11 ILE A 130 6.680 16.130 11.128 1.00 1.57 H new ATOM 0 HD12 ILE A 130 7.417 16.279 12.741 1.00 1.57 H new ATOM 0 HD13 ILE A 130 7.749 14.846 11.740 1.00 1.57 H new ATOM 1990 N ASP A 131 5.154 15.809 16.763 1.00 1.22 N ATOM 1991 CA ASP A 131 5.022 17.122 17.445 1.00 1.45 C ATOM 1992 C ASP A 131 3.569 17.623 17.536 1.00 1.44 C ATOM 1993 O ASP A 131 3.178 18.239 18.532 1.00 1.64 O ATOM 1994 CB ASP A 131 5.917 18.159 16.764 1.00 1.64 C ATOM 1995 CG ASP A 131 6.358 19.274 17.698 1.00 2.27 C ATOM 1996 OD1 ASP A 131 5.640 20.291 17.789 1.00 2.70 O ATOM 1997 OD2 ASP A 131 7.421 19.127 18.337 1.00 2.90 O ATOM 0 H ASP A 131 5.529 15.080 17.370 1.00 1.22 H new ATOM 0 HA ASP A 131 5.351 16.977 18.474 1.00 1.45 H new ATOM 0 HB2 ASP A 131 6.799 17.660 16.362 1.00 1.64 H new ATOM 0 HB3 ASP A 131 5.382 18.592 15.919 1.00 1.64 H new ATOM 2002 N GLY A 132 2.801 17.347 16.493 1.00 1.31 N ATOM 2003 CA GLY A 132 1.402 17.751 16.425 1.00 1.35 C ATOM 2004 C GLY A 132 0.940 18.072 15.009 1.00 1.46 C ATOM 2005 O GLY A 132 0.008 18.861 14.829 1.00 1.75 O ATOM 0 H GLY A 132 3.127 16.838 15.671 1.00 1.31 H new ATOM 0 HA2 GLY A 132 0.780 16.954 16.832 1.00 1.35 H new ATOM 0 HA3 GLY A 132 1.252 18.626 17.057 1.00 1.35 H new ATOM 2009 N ASP A 133 1.592 17.459 14.005 1.00 1.34 N ATOM 2010 CA ASP A 133 1.247 17.677 12.594 1.00 1.49 C ATOM 2011 C ASP A 133 1.356 16.374 11.795 1.00 1.37 C ATOM 2012 O ASP A 133 0.412 15.992 11.097 1.00 1.69 O ATOM 2013 CB ASP A 133 2.145 18.757 11.966 1.00 1.52 C ATOM 2014 CG ASP A 133 1.888 20.139 12.539 1.00 1.94 C ATOM 2015 OD1 ASP A 133 2.551 20.502 13.534 1.00 2.14 O ATOM 2016 OD2 ASP A 133 1.025 20.858 11.993 1.00 2.60 O ATOM 0 H ASP A 133 2.363 16.807 14.148 1.00 1.34 H new ATOM 0 HA ASP A 133 0.214 18.022 12.558 1.00 1.49 H new ATOM 0 HB2 ASP A 133 3.190 18.491 12.124 1.00 1.52 H new ATOM 0 HB3 ASP A 133 1.981 18.779 10.889 1.00 1.52 H new ATOM 2021 N GLY A 134 2.513 15.699 11.903 1.00 1.04 N ATOM 2022 CA GLY A 134 2.729 14.443 11.191 1.00 1.15 C ATOM 2023 C GLY A 134 3.459 14.612 9.861 1.00 1.03 C ATOM 2024 O GLY A 134 3.868 13.617 9.255 1.00 1.25 O ATOM 0 H GLY A 134 3.302 16.004 12.473 1.00 1.04 H new ATOM 0 HA2 GLY A 134 3.302 13.768 11.827 1.00 1.15 H new ATOM 0 HA3 GLY A 134 1.765 13.968 11.009 1.00 1.15 H new ATOM 2028 N GLN A 135 3.634 15.870 9.408 1.00 0.84 N ATOM 2029 CA GLN A 135 4.317 16.171 8.129 1.00 0.77 C ATOM 2030 C GLN A 135 5.763 15.690 8.129 1.00 0.74 C ATOM 2031 O GLN A 135 6.550 16.048 9.010 1.00 0.80 O ATOM 2032 CB GLN A 135 4.220 17.666 7.775 1.00 0.80 C ATOM 2033 CG GLN A 135 4.562 18.633 8.909 1.00 1.03 C ATOM 2034 CD GLN A 135 4.370 20.085 8.517 1.00 1.40 C ATOM 2035 OE1 GLN A 135 3.289 20.649 8.690 1.00 2.05 O ATOM 2036 NE2 GLN A 135 5.420 20.697 7.983 1.00 1.98 N ATOM 0 H GLN A 135 3.311 16.698 9.909 1.00 0.84 H new ATOM 0 HA GLN A 135 3.795 15.615 7.350 1.00 0.77 H new ATOM 0 HB2 GLN A 135 4.886 17.867 6.936 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.206 17.876 7.435 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.937 18.409 9.773 1.00 1.03 H new ATOM 0 HG3 GLN A 135 5.597 18.477 9.215 1.00 1.03 H new ATOM 0 HE21 GLN A 135 6.297 20.191 7.858 1.00 1.98 H new ATOM 0 HE22 GLN A 135 5.350 21.674 7.697 1.00 1.98 H new ATOM 2045 N VAL A 136 6.090 14.875 7.119 1.00 0.69 N ATOM 2046 CA VAL A 136 7.447 14.282 7.017 1.00 0.68 C ATOM 2047 C VAL A 136 7.902 14.050 5.571 1.00 0.64 C ATOM 2048 O VAL A 136 7.131 13.574 4.749 1.00 0.67 O ATOM 2049 CB VAL A 136 7.563 12.945 7.813 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.888 13.230 9.271 1.00 0.91 C ATOM 2051 CG2 VAL A 136 6.291 12.093 7.714 1.00 0.88 C ATOM 0 H VAL A 136 5.453 14.609 6.368 1.00 0.69 H new ATOM 0 HA VAL A 136 8.110 15.025 7.461 1.00 0.68 H new ATOM 0 HB VAL A 136 8.373 12.371 7.362 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.967 12.290 9.817 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.835 13.767 9.335 1.00 0.91 H new ATOM 0 HG13 VAL A 136 7.096 13.838 9.708 1.00 0.91 H new ATOM 0 HG21 VAL A 136 6.423 11.174 8.285 1.00 0.88 H new ATOM 0 HG22 VAL A 136 5.446 12.652 8.117 1.00 0.88 H new ATOM 0 HG23 VAL A 136 6.098 11.847 6.670 1.00 0.88 H new ATOM 2061 N ASN A 137 9.174 14.379 5.276 1.00 0.63 N ATOM 2062 CA ASN A 137 9.736 14.217 3.935 1.00 0.62 C ATOM 2063 C ASN A 137 10.283 12.801 3.708 1.00 0.59 C ATOM 2064 O ASN A 137 10.037 11.887 4.498 1.00 0.59 O ATOM 2065 CB ASN A 137 10.867 15.221 3.724 1.00 0.66 C ATOM 2066 CG ASN A 137 10.969 15.776 2.301 1.00 0.80 C ATOM 2067 OD1 ASN A 137 10.553 15.002 1.300 1.00 1.18 O flip ATOM 2068 ND2 ASN A 137 11.427 16.902 2.106 1.00 1.45 N flip ATOM 0 H ASN A 137 9.830 14.760 5.958 1.00 0.63 H new ATOM 0 HA ASN A 137 8.930 14.391 3.222 1.00 0.62 H new ATOM 0 HB2 ASN A 137 10.731 16.053 4.415 1.00 0.66 H new ATOM 0 HB3 ASN A 137 11.812 14.743 3.982 1.00 0.66 H new ATOM 0 HD21 ASN A 137 11.737 17.470 2.894 1.00 1.45 H new ATOM 0 HD22 ASN A 137 11.496 17.267 1.156 1.00 1.45 H new ATOM 2075 N TYR A 138 11.052 12.664 2.618 1.00 0.62 N ATOM 2076 CA TYR A 138 11.661 11.410 2.174 1.00 0.66 C ATOM 2077 C TYR A 138 12.605 10.760 3.201 1.00 0.61 C ATOM 2078 O TYR A 138 12.870 9.558 3.110 1.00 0.67 O ATOM 2079 CB TYR A 138 12.356 11.677 0.825 1.00 0.75 C ATOM 2080 CG TYR A 138 13.809 11.236 0.712 1.00 1.21 C ATOM 2081 CD1 TYR A 138 14.841 12.077 1.115 1.00 1.93 C ATOM 2082 CD2 TYR A 138 14.143 9.988 0.206 1.00 2.03 C ATOM 2083 CE1 TYR A 138 16.162 11.684 1.018 1.00 2.59 C ATOM 2084 CE2 TYR A 138 15.462 9.587 0.105 1.00 2.76 C ATOM 2085 CZ TYR A 138 16.467 10.438 0.513 1.00 2.81 C ATOM 2086 OH TYR A 138 17.782 10.043 0.415 1.00 3.66 O ATOM 0 H TYR A 138 11.272 13.449 2.005 1.00 0.62 H new ATOM 0 HA TYR A 138 10.871 10.669 2.058 1.00 0.66 H new ATOM 0 HB2 TYR A 138 11.786 11.177 0.042 1.00 0.75 H new ATOM 0 HB3 TYR A 138 12.307 12.747 0.621 1.00 0.75 H new ATOM 0 HD1 TYR A 138 14.606 13.054 1.511 1.00 1.93 H new ATOM 0 HD2 TYR A 138 13.359 9.318 -0.115 1.00 2.03 H new ATOM 0 HE1 TYR A 138 16.951 12.349 1.336 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.704 8.612 -0.292 1.00 2.76 H new ATOM 0 HH TYR A 138 17.825 9.138 0.040 1.00 3.66 H new ATOM 2096 N GLU A 139 13.109 11.544 4.163 1.00 0.57 N ATOM 2097 CA GLU A 139 14.020 11.020 5.192 1.00 0.60 C ATOM 2098 C GLU A 139 13.338 9.924 6.027 1.00 0.54 C ATOM 2099 O GLU A 139 13.821 8.789 6.082 1.00 0.57 O ATOM 2100 CB GLU A 139 14.526 12.153 6.099 1.00 0.68 C ATOM 2101 CG GLU A 139 15.534 13.075 5.428 1.00 0.89 C ATOM 2102 CD GLU A 139 16.019 14.178 6.349 1.00 1.36 C ATOM 2103 OE1 GLU A 139 15.389 15.256 6.367 1.00 2.24 O ATOM 2104 OE2 GLU A 139 17.028 13.963 7.053 1.00 1.61 O ATOM 0 H GLU A 139 12.903 12.539 4.251 1.00 0.57 H new ATOM 0 HA GLU A 139 14.877 10.576 4.686 1.00 0.60 H new ATOM 0 HB2 GLU A 139 13.674 12.745 6.435 1.00 0.68 H new ATOM 0 HB3 GLU A 139 14.982 11.718 6.988 1.00 0.68 H new ATOM 0 HG2 GLU A 139 16.388 12.488 5.089 1.00 0.89 H new ATOM 0 HG3 GLU A 139 15.081 13.520 4.542 1.00 0.89 H new ATOM 2111 N GLU A 140 12.219 10.282 6.667 1.00 0.51 N ATOM 2112 CA GLU A 140 11.447 9.347 7.492 1.00 0.52 C ATOM 2113 C GLU A 140 10.356 8.621 6.701 1.00 0.47 C ATOM 2114 O GLU A 140 9.902 7.554 7.124 1.00 0.49 O ATOM 2115 CB GLU A 140 10.819 10.084 8.678 1.00 0.59 C ATOM 2116 CG GLU A 140 11.810 10.442 9.776 1.00 1.02 C ATOM 2117 CD GLU A 140 11.156 11.165 10.937 1.00 1.31 C ATOM 2118 OE1 GLU A 140 10.706 10.484 11.882 1.00 1.91 O ATOM 2119 OE2 GLU A 140 11.094 12.412 10.902 1.00 2.02 O ATOM 0 H GLU A 140 11.825 11.222 6.628 1.00 0.51 H new ATOM 0 HA GLU A 140 12.146 8.591 7.849 1.00 0.52 H new ATOM 0 HB2 GLU A 140 10.346 10.997 8.317 1.00 0.59 H new ATOM 0 HB3 GLU A 140 10.030 9.463 9.102 1.00 0.59 H new ATOM 0 HG2 GLU A 140 12.287 9.532 10.141 1.00 1.02 H new ATOM 0 HG3 GLU A 140 12.598 11.069 9.359 1.00 1.02 H new ATOM 2126 N PHE A 141 9.934 9.192 5.557 1.00 0.45 N ATOM 2127 CA PHE A 141 8.874 8.581 4.742 1.00 0.43 C ATOM 2128 C PHE A 141 9.365 7.332 3.995 1.00 0.41 C ATOM 2129 O PHE A 141 8.562 6.488 3.591 1.00 0.44 O ATOM 2130 CB PHE A 141 8.205 9.645 3.809 1.00 0.45 C ATOM 2131 CG PHE A 141 8.723 9.871 2.376 1.00 0.69 C ATOM 2132 CD1 PHE A 141 8.361 11.034 1.707 1.00 1.33 C ATOM 2133 CD2 PHE A 141 9.510 8.948 1.687 1.00 1.55 C ATOM 2134 CE1 PHE A 141 8.763 11.269 0.407 1.00 1.59 C ATOM 2135 CE2 PHE A 141 9.919 9.184 0.387 1.00 1.88 C ATOM 2136 CZ PHE A 141 9.541 10.344 -0.253 1.00 1.54 C ATOM 0 H PHE A 141 10.307 10.064 5.182 1.00 0.45 H new ATOM 0 HA PHE A 141 8.094 8.222 5.414 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.149 9.385 3.731 1.00 0.45 H new ATOM 0 HB3 PHE A 141 8.260 10.604 4.325 1.00 0.45 H new ATOM 0 HD1 PHE A 141 7.753 11.769 2.214 1.00 1.33 H new ATOM 0 HD2 PHE A 141 9.805 8.032 2.178 1.00 1.55 H new ATOM 0 HE1 PHE A 141 8.467 12.179 -0.093 1.00 1.59 H new ATOM 0 HE2 PHE A 141 10.534 8.460 -0.126 1.00 1.88 H new ATOM 0 HZ PHE A 141 9.854 10.528 -1.270 1.00 1.54 H new ATOM 2146 N VAL A 142 10.690 7.225 3.838 1.00 0.42 N ATOM 2147 CA VAL A 142 11.312 6.092 3.152 1.00 0.44 C ATOM 2148 C VAL A 142 11.406 4.884 4.063 1.00 0.46 C ATOM 2149 O VAL A 142 11.167 3.767 3.620 1.00 0.48 O ATOM 2150 CB VAL A 142 12.721 6.458 2.639 1.00 0.48 C ATOM 2151 CG1 VAL A 142 13.659 5.250 2.619 1.00 0.53 C ATOM 2152 CG2 VAL A 142 12.646 7.112 1.262 1.00 0.50 C ATOM 0 H VAL A 142 11.355 7.918 4.181 1.00 0.42 H new ATOM 0 HA VAL A 142 10.678 5.844 2.301 1.00 0.44 H new ATOM 0 HB VAL A 142 13.141 7.179 3.341 1.00 0.48 H new ATOM 0 HG11 VAL A 142 14.638 5.556 2.251 1.00 0.53 H new ATOM 0 HG12 VAL A 142 13.759 4.850 3.628 1.00 0.53 H new ATOM 0 HG13 VAL A 142 13.249 4.482 1.964 1.00 0.53 H new ATOM 0 HG21 VAL A 142 13.651 7.361 0.922 1.00 0.50 H new ATOM 0 HG22 VAL A 142 12.185 6.422 0.556 1.00 0.50 H new ATOM 0 HG23 VAL A 142 12.048 8.022 1.323 1.00 0.50 H new ATOM 2162 N GLN A 143 11.787 5.121 5.324 1.00 0.49 N ATOM 2163 CA GLN A 143 11.924 4.053 6.312 1.00 0.54 C ATOM 2164 C GLN A 143 10.634 3.238 6.440 1.00 0.52 C ATOM 2165 O GLN A 143 10.680 2.028 6.677 1.00 0.57 O ATOM 2166 CB GLN A 143 12.328 4.654 7.653 1.00 0.59 C ATOM 2167 CG GLN A 143 13.203 3.746 8.507 1.00 0.64 C ATOM 2168 CD GLN A 143 13.557 4.367 9.844 1.00 0.89 C ATOM 2169 OE1 GLN A 143 14.568 5.058 9.973 1.00 1.62 O ATOM 2170 NE2 GLN A 143 12.723 4.124 10.849 1.00 1.55 N ATOM 0 H GLN A 143 12.006 6.050 5.682 1.00 0.49 H new ATOM 0 HA GLN A 143 12.702 3.366 5.979 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.860 5.588 7.474 1.00 0.59 H new ATOM 0 HB3 GLN A 143 11.427 4.903 8.213 1.00 0.59 H new ATOM 0 HG2 GLN A 143 12.685 2.802 8.675 1.00 0.64 H new ATOM 0 HG3 GLN A 143 14.119 3.515 7.964 1.00 0.64 H new ATOM 0 HE21 GLN A 143 11.897 3.546 10.697 1.00 1.55 H new ATOM 0 HE22 GLN A 143 12.909 4.516 11.772 1.00 1.55 H new ATOM 2179 N MET A 144 9.488 3.920 6.280 1.00 0.49 N ATOM 2180 CA MET A 144 8.184 3.269 6.292 1.00 0.49 C ATOM 2181 C MET A 144 8.070 2.386 5.042 1.00 0.51 C ATOM 2182 O MET A 144 7.345 1.387 5.033 1.00 0.58 O ATOM 2183 CB MET A 144 7.059 4.323 6.315 1.00 0.52 C ATOM 2184 CG MET A 144 5.658 3.767 6.613 1.00 0.93 C ATOM 2185 SD MET A 144 4.788 4.707 7.889 1.00 2.33 S ATOM 2186 CE MET A 144 4.327 6.195 7.000 1.00 3.20 C ATOM 0 H MET A 144 9.447 4.930 6.140 1.00 0.49 H new ATOM 0 HA MET A 144 8.084 2.654 7.187 1.00 0.49 H new ATOM 0 HB2 MET A 144 7.302 5.076 7.064 1.00 0.52 H new ATOM 0 HB3 MET A 144 7.035 4.829 5.350 1.00 0.52 H new ATOM 0 HG2 MET A 144 5.067 3.773 5.697 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.744 2.727 6.929 1.00 0.93 H new ATOM 0 HE1 MET A 144 4.114 6.993 7.712 1.00 3.20 H new ATOM 0 HE2 MET A 144 5.147 6.499 6.349 1.00 3.20 H new ATOM 0 HE3 MET A 144 3.440 5.999 6.398 1.00 3.20 H new ATOM 2196 N MET A 145 8.808 2.790 3.992 1.00 0.49 N ATOM 2197 CA MET A 145 8.832 2.068 2.725 1.00 0.56 C ATOM 2198 C MET A 145 9.955 1.017 2.667 1.00 0.62 C ATOM 2199 O MET A 145 9.811 0.010 1.968 1.00 0.75 O ATOM 2200 CB MET A 145 8.970 3.052 1.559 1.00 0.58 C ATOM 2201 CG MET A 145 7.713 3.873 1.288 1.00 1.52 C ATOM 2202 SD MET A 145 7.527 4.291 -0.457 1.00 2.50 S ATOM 2203 CE MET A 145 5.753 4.519 -0.575 1.00 3.22 C ATOM 0 H MET A 145 9.398 3.622 4.006 1.00 0.49 H new ATOM 0 HA MET A 145 7.886 1.533 2.643 1.00 0.56 H new ATOM 0 HB2 MET A 145 9.797 3.731 1.766 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.231 2.497 0.658 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.838 3.313 1.620 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.747 4.790 1.877 1.00 1.52 H new ATOM 0 HE1 MET A 145 5.462 4.570 -1.624 1.00 3.22 H new ATOM 0 HE2 MET A 145 5.246 3.680 -0.098 1.00 3.22 H new ATOM 0 HE3 MET A 145 5.471 5.445 -0.075 1.00 3.22 H new ATOM 2213 N THR A 146 11.071 1.246 3.397 1.00 0.59 N ATOM 2214 CA THR A 146 12.201 0.322 3.391 1.00 0.68 C ATOM 2215 C THR A 146 12.054 -0.802 4.420 1.00 0.78 C ATOM 2216 O THR A 146 12.604 -1.892 4.235 1.00 0.89 O ATOM 2217 CB THR A 146 13.535 1.050 3.660 1.00 0.69 C ATOM 2218 OG1 THR A 146 13.305 2.359 4.195 1.00 0.63 O ATOM 2219 CG2 THR A 146 14.374 1.156 2.393 1.00 0.71 C ATOM 0 H THR A 146 11.201 2.064 3.992 1.00 0.59 H new ATOM 0 HA THR A 146 12.208 -0.113 2.392 1.00 0.68 H new ATOM 0 HB THR A 146 14.084 0.458 4.392 1.00 0.69 H new ATOM 0 HG1 THR A 146 12.702 2.854 3.601 1.00 0.63 H new ATOM 0 HG21 THR A 146 15.307 1.674 2.617 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.595 0.157 2.018 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.822 1.714 1.637 1.00 0.71 H new ATOM 2227 N ALA A 147 11.312 -0.527 5.497 1.00 0.77 N ATOM 2228 CA ALA A 147 11.078 -1.497 6.558 1.00 0.88 C ATOM 2229 C ALA A 147 9.863 -2.377 6.261 1.00 0.94 C ATOM 2230 O ALA A 147 8.759 -1.871 6.035 1.00 0.91 O ATOM 2231 CB ALA A 147 10.911 -0.788 7.894 1.00 0.90 C ATOM 0 H ALA A 147 10.860 0.374 5.653 1.00 0.77 H new ATOM 0 HA ALA A 147 11.950 -2.149 6.610 1.00 0.88 H new ATOM 0 HB1 ALA A 147 10.737 -1.525 8.678 1.00 0.90 H new ATOM 0 HB2 ALA A 147 11.815 -0.223 8.122 1.00 0.90 H new ATOM 0 HB3 ALA A 147 10.061 -0.107 7.841 1.00 0.90 H new ATOM 2237 N LYS A 148 10.086 -3.709 6.268 1.00 1.08 N ATOM 2238 CA LYS A 148 9.039 -4.727 6.001 1.00 1.19 C ATOM 2239 C LYS A 148 8.419 -4.568 4.604 1.00 1.63 C ATOM 2240 O LYS A 148 8.672 -5.441 3.747 1.00 2.21 O ATOM 2241 CB LYS A 148 7.937 -4.711 7.085 1.00 1.53 C ATOM 2242 CG LYS A 148 8.383 -5.248 8.443 1.00 2.17 C ATOM 2243 CD LYS A 148 9.038 -4.168 9.295 1.00 2.29 C ATOM 2244 CE LYS A 148 9.491 -4.717 10.638 1.00 3.11 C ATOM 2245 NZ LYS A 148 10.136 -3.669 11.477 1.00 3.56 N ATOM 2246 OXT LYS A 148 7.696 -3.572 4.377 1.00 2.14 O ATOM 0 H LYS A 148 11.002 -4.114 6.460 1.00 1.08 H new ATOM 0 HA LYS A 148 9.537 -5.696 6.035 1.00 1.19 H new ATOM 0 HB2 LYS A 148 7.582 -3.688 7.211 1.00 1.53 H new ATOM 0 HB3 LYS A 148 7.090 -5.301 6.734 1.00 1.53 H new ATOM 0 HG2 LYS A 148 7.522 -5.655 8.973 1.00 2.17 H new ATOM 0 HG3 LYS A 148 9.084 -6.069 8.296 1.00 2.17 H new ATOM 0 HD2 LYS A 148 9.894 -3.753 8.763 1.00 2.29 H new ATOM 0 HD3 LYS A 148 8.334 -3.351 9.453 1.00 2.29 H new ATOM 0 HE2 LYS A 148 8.634 -5.131 11.169 1.00 3.11 H new ATOM 0 HE3 LYS A 148 10.192 -5.536 10.478 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 10.431 -4.083 12.384 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 10.969 -3.292 10.982 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 9.459 -2.899 11.652 1.00 3.56 H new ATOM 2490 N LYS B 516 2.120 0.439 8.505 1.00 0.00 N ATOM 2491 CA LYS B 516 2.734 -0.092 7.278 1.00 0.00 C ATOM 2492 C LYS B 516 1.718 -0.893 6.443 1.00 0.00 C ATOM 2493 O LYS B 516 1.817 -2.118 6.293 1.00 0.00 O ATOM 2494 CB LYS B 516 3.963 -0.948 7.626 1.00 0.00 C ATOM 2495 CG LYS B 516 5.173 -0.134 8.062 1.00 0.00 C ATOM 2496 CD LYS B 516 6.249 -1.018 8.671 1.00 0.00 C ATOM 2497 CE LYS B 516 7.384 -0.193 9.254 1.00 0.00 C ATOM 2498 NZ LYS B 516 8.422 -1.048 9.892 1.00 0.00 N ATOM 0 HA LYS B 516 3.061 0.750 6.668 1.00 0.00 H new ATOM 0 HB2 LYS B 516 3.697 -1.642 8.423 1.00 0.00 H new ATOM 0 HB3 LYS B 516 4.234 -1.548 6.758 1.00 0.00 H new ATOM 0 HG2 LYS B 516 5.582 0.400 7.204 1.00 0.00 H new ATOM 0 HG3 LYS B 516 4.864 0.618 8.788 1.00 0.00 H new ATOM 0 HD2 LYS B 516 5.811 -1.640 9.452 1.00 0.00 H new ATOM 0 HD3 LYS B 516 6.642 -1.692 7.910 1.00 0.00 H new ATOM 0 HE2 LYS B 516 7.841 0.404 8.465 1.00 0.00 H new ATOM 0 HE3 LYS B 516 6.985 0.504 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 9.178 -0.447 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 7.992 -1.600 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 8.822 -1.696 9.183 1.00 0.00 H new ATOM 2512 N VAL B 517 0.730 -0.162 5.919 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.340 -0.727 5.096 1.00 0.00 C ATOM 2514 C VAL B 517 -0.861 0.299 4.127 1.00 0.00 C ATOM 2515 O VAL B 517 -0.846 0.098 2.920 1.00 0.00 O ATOM 2516 CB VAL B 517 -1.518 -1.307 5.920 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -1.380 -2.807 5.990 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -1.601 -0.709 7.324 1.00 0.00 C ATOM 0 H VAL B 517 0.651 0.846 6.056 1.00 0.00 H new ATOM 0 HA VAL B 517 0.110 -1.560 4.556 1.00 0.00 H new ATOM 0 HB VAL B 517 -2.446 -1.040 5.415 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -2.206 -3.222 6.568 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -1.399 -3.222 4.982 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -0.436 -3.063 6.470 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -2.443 -1.150 7.858 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -0.678 -0.920 7.864 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -1.741 0.370 7.252 1.00 0.00 H new ATOM 2528 N LEU B 518 -1.310 1.403 4.675 1.00 0.00 N ATOM 2529 CA LEU B 518 -1.817 2.528 3.915 1.00 0.00 C ATOM 2530 C LEU B 518 -0.732 3.180 3.037 1.00 0.00 C ATOM 2531 O LEU B 518 -0.959 4.214 2.397 1.00 0.00 O ATOM 2532 CB LEU B 518 -2.414 3.513 4.911 1.00 0.00 C ATOM 2533 CG LEU B 518 -3.781 3.120 5.532 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -4.617 2.260 4.585 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -3.581 2.387 6.852 1.00 0.00 C ATOM 0 H LEU B 518 -1.335 1.551 5.684 1.00 0.00 H new ATOM 0 HA LEU B 518 -2.580 2.189 3.214 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -1.699 3.656 5.721 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -2.529 4.476 4.413 1.00 0.00 H new ATOM 0 HG LEU B 518 -4.326 4.047 5.711 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -5.564 2.009 5.062 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -4.809 2.813 3.665 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.075 1.344 4.351 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -4.551 2.120 7.271 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -2.999 1.482 6.681 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -3.050 3.034 7.550 1.00 0.00 H new ATOM 2547 N VAL B 519 0.437 2.536 3.022 1.00 0.00 N ATOM 2548 CA VAL B 519 1.591 2.955 2.232 1.00 0.00 C ATOM 2549 C VAL B 519 2.224 1.715 1.615 1.00 0.00 C ATOM 2550 O VAL B 519 2.689 1.751 0.472 1.00 0.00 O ATOM 2551 CB VAL B 519 2.623 3.764 3.087 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.887 4.102 2.300 1.00 0.00 C ATOM 2553 CG2 VAL B 519 2.000 5.051 3.618 1.00 0.00 C ATOM 0 H VAL B 519 0.609 1.693 3.570 1.00 0.00 H new ATOM 0 HA VAL B 519 1.262 3.631 1.443 1.00 0.00 H new ATOM 0 HB VAL B 519 2.904 3.122 3.922 1.00 0.00 H new ATOM 0 HG11 VAL B 519 4.572 4.663 2.935 1.00 0.00 H new ATOM 0 HG12 VAL B 519 4.369 3.181 1.972 1.00 0.00 H new ATOM 0 HG13 VAL B 519 3.624 4.704 1.430 1.00 0.00 H new ATOM 0 HG21 VAL B 519 2.737 5.595 4.209 1.00 0.00 H new ATOM 0 HG22 VAL B 519 1.676 5.671 2.782 1.00 0.00 H new ATOM 0 HG23 VAL B 519 1.141 4.808 4.244 1.00 0.00 H new ATOM 2563 N LYS B 520 2.236 0.620 2.384 1.00 0.00 N ATOM 2564 CA LYS B 520 2.756 -0.646 1.918 1.00 0.00 C ATOM 2565 C LYS B 520 1.805 -1.322 0.932 1.00 0.00 C ATOM 2566 O LYS B 520 2.240 -2.080 0.061 1.00 0.00 O ATOM 2567 CB LYS B 520 3.021 -1.551 3.103 1.00 0.00 C ATOM 2568 CG LYS B 520 4.456 -2.046 3.147 1.00 0.00 C ATOM 2569 CD LYS B 520 4.889 -2.738 1.844 1.00 0.00 C ATOM 2570 CE LYS B 520 6.401 -2.736 1.690 1.00 0.00 C ATOM 2571 NZ LYS B 520 6.830 -3.346 0.402 1.00 0.00 N ATOM 0 H LYS B 520 1.884 0.599 3.341 1.00 0.00 H new ATOM 0 HA LYS B 520 3.689 -0.456 1.387 1.00 0.00 H new ATOM 0 HB2 LYS B 520 2.797 -1.013 4.024 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.346 -2.406 3.061 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.120 -1.204 3.344 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.570 -2.742 3.978 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.523 -3.765 1.836 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.435 -2.231 0.993 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.770 -1.712 1.747 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.851 -3.284 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.868 -3.325 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 6.500 -4.331 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.422 -2.809 -0.389 1.00 0.00 H new ATOM 2585 N ALA B 521 0.503 -1.036 1.087 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.528 -1.550 0.190 1.00 0.00 C ATOM 2587 C ALA B 521 -0.605 -0.657 -1.048 1.00 0.00 C ATOM 2588 O ALA B 521 -1.527 -0.744 -1.867 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.869 -1.612 0.898 1.00 0.00 C ATOM 0 H ALA B 521 0.143 -0.444 1.836 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.270 -2.564 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.624 -1.997 0.213 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.794 -2.271 1.763 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.153 -0.612 1.227 1.00 0.00 H new ATOM 2595 N VAL B 522 0.420 0.184 -1.157 1.00 0.00 N ATOM 2596 CA VAL B 522 0.572 1.126 -2.236 1.00 0.00 C ATOM 2597 C VAL B 522 1.884 0.834 -2.962 1.00 0.00 C ATOM 2598 O VAL B 522 2.035 1.191 -4.131 1.00 0.00 O ATOM 2599 CB VAL B 522 0.500 2.620 -1.803 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.082 3.461 -2.933 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -0.346 2.806 -0.548 1.00 0.00 C ATOM 0 H VAL B 522 1.179 0.222 -0.477 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.280 0.988 -2.901 1.00 0.00 H new ATOM 0 HB VAL B 522 1.516 2.946 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.129 4.505 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.552 3.373 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.085 3.107 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -0.371 3.862 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.361 2.456 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL B 522 0.088 2.233 0.272 1.00 0.00 H new ATOM 2611 N LEU B 523 2.834 0.177 -2.252 1.00 0.00 N ATOM 2612 CA LEU B 523 4.104 -0.226 -2.846 1.00 0.00 C ATOM 2613 C LEU B 523 3.929 -1.598 -3.467 1.00 0.00 C ATOM 2614 O LEU B 523 4.737 -2.046 -4.286 1.00 0.00 O ATOM 2615 CB LEU B 523 5.202 -0.288 -1.789 1.00 0.00 C ATOM 2616 CG LEU B 523 5.693 1.064 -1.289 1.00 0.00 C ATOM 2617 CD1 LEU B 523 6.399 0.903 0.044 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.618 1.720 -2.304 1.00 0.00 C ATOM 0 H LEU B 523 2.732 -0.078 -1.270 1.00 0.00 H new ATOM 0 HA LEU B 523 4.395 0.505 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.834 -0.861 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU B 523 6.050 -0.836 -2.200 1.00 0.00 H new ATOM 0 HG LEU B 523 4.828 1.713 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU B 523 6.746 1.876 0.392 1.00 0.00 H new ATOM 0 HD12 LEU B 523 5.707 0.482 0.774 1.00 0.00 H new ATOM 0 HD13 LEU B 523 7.252 0.235 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU B 523 6.953 2.684 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.482 1.078 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.082 1.869 -3.242 1.00 0.00 H new ATOM 2630 N PHE B 524 2.840 -2.247 -3.043 1.00 0.00 N ATOM 2631 CA PHE B 524 2.470 -3.567 -3.499 1.00 0.00 C ATOM 2632 C PHE B 524 1.636 -3.486 -4.797 1.00 0.00 C ATOM 2633 O PHE B 524 1.344 -4.509 -5.421 1.00 0.00 O ATOM 2634 CB PHE B 524 1.753 -4.273 -2.324 1.00 0.00 C ATOM 2635 CG PHE B 524 0.538 -5.091 -2.652 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.680 -4.475 -2.866 1.00 0.00 C ATOM 2637 CD2 PHE B 524 0.616 -6.467 -2.711 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.808 -5.223 -3.135 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -0.505 -7.224 -2.984 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.718 -6.602 -3.194 1.00 0.00 C ATOM 0 H PHE B 524 2.189 -1.854 -2.363 1.00 0.00 H new ATOM 0 HA PHE B 524 3.341 -4.162 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.475 -4.924 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.462 -3.512 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.750 -3.398 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE B 524 1.564 -6.957 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.757 -4.734 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -0.433 -8.300 -3.033 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.598 -7.192 -3.405 1.00 0.00 H new ATOM 2650 N ALA B 525 1.251 -2.256 -5.171 1.00 0.00 N ATOM 2651 CA ALA B 525 0.473 -2.004 -6.389 1.00 0.00 C ATOM 2652 C ALA B 525 1.032 -0.811 -7.197 1.00 0.00 C ATOM 2653 O ALA B 525 0.371 -0.318 -8.121 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.989 -1.761 -6.022 1.00 0.00 C ATOM 0 H ALA B 525 1.470 -1.414 -4.639 1.00 0.00 H new ATOM 0 HA ALA B 525 0.549 -2.886 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.565 -1.574 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.387 -2.639 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -1.060 -0.896 -5.362 1.00 0.00 H new ATOM 2660 N CYS B 526 2.257 -0.365 -6.863 1.00 0.00 N ATOM 2661 CA CYS B 526 2.890 0.775 -7.550 1.00 0.00 C ATOM 2662 C CYS B 526 3.783 0.339 -8.719 1.00 0.00 C ATOM 2663 O CYS B 526 4.126 1.162 -9.573 1.00 0.00 O ATOM 2664 CB CYS B 526 3.717 1.609 -6.563 1.00 0.00 C ATOM 2665 SG CYS B 526 4.270 3.198 -7.227 1.00 0.00 S ATOM 0 H CYS B 526 2.827 -0.776 -6.123 1.00 0.00 H new ATOM 0 HA CYS B 526 2.079 1.378 -7.958 1.00 0.00 H new ATOM 0 HB2 CYS B 526 3.122 1.788 -5.667 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.589 1.031 -6.257 1.00 0.00 H new ATOM 0 HG CYS B 526 4.468 3.088 -8.507 1.00 0.00 H new ATOM 2671 N MET B 527 4.153 -0.947 -8.754 1.00 0.00 N ATOM 2672 CA MET B 527 5.025 -1.481 -9.818 1.00 0.00 C ATOM 2673 C MET B 527 4.241 -2.007 -11.034 1.00 0.00 C ATOM 2674 O MET B 527 4.835 -2.268 -12.085 1.00 0.00 O ATOM 2675 CB MET B 527 5.950 -2.585 -9.272 1.00 0.00 C ATOM 2676 CG MET B 527 5.304 -3.505 -8.248 1.00 0.00 C ATOM 2677 SD MET B 527 3.869 -4.379 -8.900 1.00 0.00 S ATOM 2678 CE MET B 527 3.361 -5.300 -7.457 1.00 0.00 C ATOM 0 H MET B 527 3.865 -1.639 -8.062 1.00 0.00 H new ATOM 0 HA MET B 527 5.628 -0.641 -10.163 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.307 -3.187 -10.107 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.824 -2.117 -8.820 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.040 -4.231 -7.904 1.00 0.00 H new ATOM 0 HG3 MET B 527 5.003 -2.920 -7.379 1.00 0.00 H new ATOM 0 HE1 MET B 527 2.301 -5.543 -7.535 1.00 0.00 H new ATOM 0 HE2 MET B 527 3.940 -6.221 -7.391 1.00 0.00 H new ATOM 0 HE3 MET B 527 3.531 -4.699 -6.563 1.00 0.00 H new ATOM 2688 N LEU B 528 2.913 -2.160 -10.884 1.00 0.00 N ATOM 2689 CA LEU B 528 2.031 -2.666 -11.954 1.00 0.00 C ATOM 2690 C LEU B 528 2.149 -1.880 -13.269 1.00 0.00 C ATOM 2691 O LEU B 528 2.066 -2.466 -14.352 1.00 0.00 O ATOM 2692 CB LEU B 528 0.574 -2.649 -11.487 1.00 0.00 C ATOM 2693 CG LEU B 528 0.318 -3.387 -10.176 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.880 -2.794 -9.456 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.118 -4.877 -10.411 1.00 0.00 C ATOM 0 H LEU B 528 2.420 -1.937 -10.019 1.00 0.00 H new ATOM 0 HA LEU B 528 2.358 -3.685 -12.159 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.255 -1.613 -11.374 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.048 -3.091 -12.265 1.00 0.00 H new ATOM 0 HG LEU B 528 1.198 -3.264 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.047 -3.333 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.690 -1.743 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.764 -2.880 -10.088 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.062 -5.375 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -0.738 -5.030 -11.068 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.011 -5.295 -10.876 1.00 0.00 H new ATOM 2707 N MET B 529 2.343 -0.560 -13.159 1.00 0.00 N ATOM 2708 CA MET B 529 2.465 0.307 -14.332 1.00 0.00 C ATOM 2709 C MET B 529 3.737 1.160 -14.256 1.00 0.00 C ATOM 2710 O MET B 529 3.686 2.382 -14.061 1.00 0.00 O ATOM 2711 CB MET B 529 1.215 1.191 -14.480 1.00 0.00 C ATOM 2712 CG MET B 529 -0.017 0.439 -14.968 1.00 0.00 C ATOM 2713 SD MET B 529 -1.441 1.517 -15.233 1.00 0.00 S ATOM 2714 CE MET B 529 -1.053 2.231 -16.831 1.00 0.00 C ATOM 0 H MET B 529 2.419 -0.071 -12.267 1.00 0.00 H new ATOM 0 HA MET B 529 2.543 -0.325 -15.217 1.00 0.00 H new ATOM 0 HB2 MET B 529 0.991 1.651 -13.517 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.434 2.000 -15.176 1.00 0.00 H new ATOM 0 HG2 MET B 529 0.222 -0.074 -15.900 1.00 0.00 H new ATOM 0 HG3 MET B 529 -0.280 -0.329 -14.240 1.00 0.00 H new ATOM 0 HE1 MET B 529 -1.837 2.933 -17.116 1.00 0.00 H new ATOM 0 HE2 MET B 529 -0.100 2.756 -16.773 1.00 0.00 H new ATOM 0 HE3 MET B 529 -0.986 1.439 -17.577 1.00 0.00 H new ATOM 2724 N ARG B 530 4.884 0.487 -14.394 1.00 0.00 N ATOM 2725 CA ARG B 530 6.192 1.145 -14.359 1.00 0.00 C ATOM 2726 C ARG B 530 7.089 0.615 -15.485 1.00 0.00 C ATOM 2727 O ARG B 530 8.038 -0.144 -15.250 1.00 0.00 O ATOM 2728 CB ARG B 530 6.861 0.956 -12.983 1.00 0.00 C ATOM 2729 CG ARG B 530 6.246 1.799 -11.866 1.00 0.00 C ATOM 2730 CD ARG B 530 6.821 3.213 -11.826 1.00 0.00 C ATOM 2731 NE ARG B 530 8.202 3.237 -11.326 1.00 0.00 N ATOM 2732 CZ ARG B 530 9.022 4.295 -11.397 1.00 0.00 C ATOM 2733 NH1 ARG B 530 8.624 5.441 -11.947 1.00 0.00 N ATOM 2734 NH2 ARG B 530 10.253 4.200 -10.913 1.00 0.00 N ATOM 0 H ARG B 530 4.931 -0.522 -14.532 1.00 0.00 H new ATOM 0 HA ARG B 530 6.046 2.214 -14.516 1.00 0.00 H new ATOM 0 HB2 ARG B 530 6.801 -0.096 -12.704 1.00 0.00 H new ATOM 0 HB3 ARG B 530 7.919 1.203 -13.069 1.00 0.00 H new ATOM 0 HG2 ARG B 530 5.166 1.852 -12.006 1.00 0.00 H new ATOM 0 HG3 ARG B 530 6.420 1.311 -10.907 1.00 0.00 H new ATOM 0 HD2 ARG B 530 6.791 3.644 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG B 530 6.195 3.840 -11.190 1.00 0.00 H new ATOM 0 HE ARG B 530 8.563 2.387 -10.893 1.00 0.00 H new ATOM 0 HH11 ARG B 530 7.680 5.525 -12.324 1.00 0.00 H new ATOM 0 HH12 ARG B 530 9.263 6.235 -11.991 1.00 0.00 H new ATOM 0 HH21 ARG B 530 10.569 3.327 -10.491 1.00 0.00 H new ATOM 0 HH22 ARG B 530 10.884 5.000 -10.963 1.00 0.00 H new