USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 1:sc= 1.06 USER MOD Set 1.2: A 130 MET CE :methyl -112:sc= -5.4! (180deg=-9.31!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot -60:sc= 0.932 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.89 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 152:sc= 1.04 (180deg=0) USER MOD Set 4.1: A 29 THR OG1 : rot 146:sc= 2.23 USER MOD Set 4.2: A 33 LYS NZ :NH3+ -147:sc= 2.31 (180deg=0.0218) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= -0.0221 (180deg=-0.176) USER MOD Single : A 14 SER OG : rot 180:sc= -0.237 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.18) USER MOD Single : A 20 SER OG : rot 83:sc= 1.27 USER MOD Single : A 21 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-6.2!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 71:sc= 1.18 USER MOD Single : A 40 ASN : amide:sc= -1.62 K(o=-1.6,f=-1) USER MOD Single : A 47 CYS SG : rot 69:sc= 0.815 USER MOD Single : A 51 LYS NZ :NH3+ -102:sc= 2.35 (180deg=-0.801!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -0.0718 (180deg=-0.402) USER MOD Single : A 57 GLN : amide:sc= 0.997 K(o=1,f=-7.5!) USER MOD Single : A 58 GLN : amide:sc=-0.00587 X(o=-0.0059,f=-0.49) USER MOD Single : A 60 HIS : no HD1:sc= -0.644 K(o=-0.64,f=0.16) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00334 (180deg=-0.0806) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.36! USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= 0.244 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0487 K(o=-0.049,f=-3.6!) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= 2.44 (180deg=1.97) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.2!) USER MOD Single : A 85 THR OG1 : rot 67:sc= 0.554 USER MOD Single : A 90 THR OG1 : rot -12:sc= 1.09 USER MOD Single : A 91 ASN : amide:sc= 1.15 K(o=1.1,f=-0.013) USER MOD Single : A 92 SER OG : rot -36:sc= 0.153 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.64 K(o=-0.64,f=-7.6!) USER MOD Single : A 105 GLN : amide:sc= 0.894 K(o=0.89,f=-0.16) USER MOD Single : A 106 SER OG : rot 180:sc= 0.00787 USER MOD Single : A 109 TYR OH : rot 48:sc= 1.32 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl -150:sc= -1.36 (180deg=-1.78) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 116 SER OG : rot 140:sc= 0 USER MOD Single : A 117 TYR OH : rot 16:sc= 1.3 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -86:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.516 5.495 4.032 1.00 0.00 N ATOM 32 CA VAL A 3 141.449 5.452 2.592 1.00 0.00 C ATOM 33 C VAL A 3 142.120 6.683 2.026 1.00 0.00 C ATOM 34 O VAL A 3 141.963 7.781 2.552 1.00 0.00 O ATOM 35 CB VAL A 3 139.972 5.318 2.061 1.00 0.00 C ATOM 36 CG1 VAL A 3 139.076 6.419 2.611 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.925 5.332 0.532 1.00 0.00 C ATOM 0 HA VAL A 3 141.975 4.559 2.254 1.00 0.00 H new ATOM 0 HB VAL A 3 139.598 4.357 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 3 138.065 6.294 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 3 139.056 6.362 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.464 7.391 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.891 5.238 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.341 6.270 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.509 4.498 0.142 1.00 0.00 H new ATOM 47 N SER A 4 142.908 6.500 1.018 1.00 0.00 N ATOM 48 CA SER A 4 143.550 7.596 0.371 1.00 0.00 C ATOM 49 C SER A 4 142.546 8.307 -0.524 1.00 0.00 C ATOM 50 O SER A 4 141.708 7.644 -1.142 1.00 0.00 O ATOM 51 CB SER A 4 144.721 7.065 -0.421 1.00 0.00 C ATOM 52 OG SER A 4 145.607 6.367 0.452 1.00 0.00 O ATOM 0 H SER A 4 143.125 5.586 0.620 1.00 0.00 H new ATOM 0 HA SER A 4 143.920 8.318 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.369 6.399 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.246 7.886 -0.909 1.00 0.00 H new ATOM 0 HG SER A 4 146.366 6.020 -0.061 1.00 0.00 H new ATOM 58 N PRO A 5 142.587 9.660 -0.574 1.00 0.00 N ATOM 59 CA PRO A 5 141.682 10.464 -1.405 1.00 0.00 C ATOM 60 C PRO A 5 141.604 9.954 -2.844 1.00 0.00 C ATOM 61 O PRO A 5 140.547 9.985 -3.453 1.00 0.00 O ATOM 62 CB PRO A 5 142.311 11.856 -1.367 1.00 0.00 C ATOM 63 CG PRO A 5 142.993 11.912 -0.049 1.00 0.00 C ATOM 64 CD PRO A 5 143.510 10.523 0.205 1.00 0.00 C ATOM 0 HA PRO A 5 140.656 10.433 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 5 143.016 11.997 -2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.556 12.637 -1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.808 12.636 -0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 5 142.303 12.222 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.541 10.412 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.491 10.276 1.266 1.00 0.00 H new ATOM 72 N GLU A 6 142.716 9.434 -3.351 1.00 0.00 N ATOM 73 CA GLU A 6 142.782 8.923 -4.709 1.00 0.00 C ATOM 74 C GLU A 6 141.855 7.696 -4.841 1.00 0.00 C ATOM 75 O GLU A 6 140.984 7.649 -5.704 1.00 0.00 O ATOM 76 CB GLU A 6 144.227 8.525 -5.056 1.00 0.00 C ATOM 77 CG GLU A 6 144.607 8.670 -6.531 1.00 0.00 C ATOM 78 CD GLU A 6 143.632 8.022 -7.472 1.00 0.00 C ATOM 79 OE1 GLU A 6 143.626 6.780 -7.593 1.00 0.00 O ATOM 80 OE2 GLU A 6 142.846 8.747 -8.114 1.00 0.00 O ATOM 0 H GLU A 6 143.591 9.356 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 6 142.457 9.701 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.907 9.134 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.383 7.488 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.684 9.730 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 6 145.594 8.234 -6.687 1.00 0.00 H new ATOM 87 N GLU A 7 142.013 6.732 -3.956 1.00 0.00 N ATOM 88 CA GLU A 7 141.209 5.527 -4.030 1.00 0.00 C ATOM 89 C GLU A 7 139.752 5.875 -3.695 1.00 0.00 C ATOM 90 O GLU A 7 138.824 5.255 -4.200 1.00 0.00 O ATOM 91 CB GLU A 7 141.708 4.465 -3.060 1.00 0.00 C ATOM 92 CG GLU A 7 141.200 3.074 -3.389 1.00 0.00 C ATOM 93 CD GLU A 7 140.667 2.326 -2.200 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.442 2.017 -1.251 1.00 0.00 O ATOM 95 OE2 GLU A 7 139.455 2.004 -2.194 1.00 0.00 O ATOM 0 H GLU A 7 142.682 6.757 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 7 141.284 5.126 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.798 4.458 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.397 4.729 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 7 140.413 3.153 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 7 142.010 2.498 -3.836 1.00 0.00 H new ATOM 102 N ALA A 8 139.568 6.885 -2.860 1.00 0.00 N ATOM 103 CA ALA A 8 138.246 7.341 -2.510 1.00 0.00 C ATOM 104 C ALA A 8 137.547 7.987 -3.721 1.00 0.00 C ATOM 105 O ALA A 8 136.353 7.801 -3.899 1.00 0.00 O ATOM 106 CB ALA A 8 138.266 8.258 -1.271 1.00 0.00 C ATOM 0 H ALA A 8 140.326 7.402 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 8 137.652 6.471 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.251 8.580 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.676 7.712 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.886 9.131 -1.474 1.00 0.00 H new ATOM 112 N VAL A 9 138.292 8.733 -4.582 1.00 0.00 N ATOM 113 CA VAL A 9 137.672 9.301 -5.810 1.00 0.00 C ATOM 114 C VAL A 9 137.254 8.182 -6.746 1.00 0.00 C ATOM 115 O VAL A 9 136.309 8.328 -7.522 1.00 0.00 O ATOM 116 CB VAL A 9 138.543 10.343 -6.610 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.054 11.468 -5.748 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.661 9.711 -7.416 1.00 0.00 C ATOM 0 H VAL A 9 139.281 8.948 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 9 136.816 9.866 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 9 137.853 10.779 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.646 12.152 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.211 12.006 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.675 11.062 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.217 10.489 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.332 9.173 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.238 9.016 -8.142 1.00 0.00 H new ATOM 128 N LYS A 10 137.960 7.060 -6.651 1.00 0.00 N ATOM 129 CA LYS A 10 137.635 5.855 -7.403 1.00 0.00 C ATOM 130 C LYS A 10 136.262 5.340 -6.996 1.00 0.00 C ATOM 131 O LYS A 10 135.503 4.842 -7.815 1.00 0.00 O ATOM 132 CB LYS A 10 138.697 4.783 -7.175 1.00 0.00 C ATOM 133 CG LYS A 10 140.063 5.143 -7.716 1.00 0.00 C ATOM 134 CD LYS A 10 140.069 5.103 -9.225 1.00 0.00 C ATOM 135 CE LYS A 10 141.405 5.520 -9.790 1.00 0.00 C ATOM 136 NZ LYS A 10 141.620 6.979 -9.739 1.00 0.00 N ATOM 0 H LYS A 10 138.777 6.961 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 10 137.616 6.099 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.781 4.591 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.367 3.854 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.344 6.139 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 10 140.808 4.449 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.830 4.095 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 10 139.290 5.761 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.200 5.021 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.478 5.183 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 142.449 7.228 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 140.780 7.467 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.783 7.272 -8.754 1.00 0.00 H new ATOM 150 N TRP A 11 135.921 5.514 -5.731 1.00 0.00 N ATOM 151 CA TRP A 11 134.602 5.128 -5.225 1.00 0.00 C ATOM 152 C TRP A 11 133.529 5.959 -5.923 1.00 0.00 C ATOM 153 O TRP A 11 132.392 5.527 -6.083 1.00 0.00 O ATOM 154 CB TRP A 11 134.491 5.369 -3.719 1.00 0.00 C ATOM 155 CG TRP A 11 135.458 4.610 -2.854 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.360 3.664 -3.232 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.577 4.726 -1.441 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.051 3.212 -2.137 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.578 3.839 -1.028 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.933 5.508 -0.483 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.947 3.703 0.300 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.298 5.365 0.841 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.295 4.471 1.218 1.00 0.00 C ATOM 0 H TRP A 11 136.537 5.921 -5.028 1.00 0.00 H new ATOM 0 HA TRP A 11 134.464 4.065 -5.425 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.626 6.434 -3.531 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.478 5.116 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.510 3.320 -4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.798 2.518 -2.152 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.165 6.211 -0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.723 3.013 0.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.802 5.957 1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.558 4.384 2.262 1.00 0.00 H new ATOM 174 N GLY A 12 133.934 7.132 -6.388 1.00 0.00 N ATOM 175 CA GLY A 12 133.046 8.051 -7.048 1.00 0.00 C ATOM 176 C GLY A 12 132.961 7.799 -8.538 1.00 0.00 C ATOM 177 O GLY A 12 132.292 8.544 -9.267 1.00 0.00 O ATOM 0 H GLY A 12 134.895 7.466 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.051 7.969 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.387 9.071 -6.873 1.00 0.00 H new ATOM 181 N GLU A 13 133.643 6.776 -9.005 1.00 0.00 N ATOM 182 CA GLU A 13 133.568 6.405 -10.394 1.00 0.00 C ATOM 183 C GLU A 13 133.108 4.956 -10.554 1.00 0.00 C ATOM 184 O GLU A 13 133.080 4.409 -11.665 1.00 0.00 O ATOM 185 CB GLU A 13 134.865 6.782 -11.166 1.00 0.00 C ATOM 186 CG GLU A 13 136.187 6.253 -10.604 1.00 0.00 C ATOM 187 CD GLU A 13 136.603 4.916 -11.164 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.209 4.889 -12.240 1.00 0.00 O ATOM 189 OE2 GLU A 13 136.371 3.877 -10.542 1.00 0.00 O ATOM 0 H GLU A 13 134.255 6.188 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 13 132.792 6.999 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.765 6.424 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.928 7.869 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.973 6.980 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.102 6.170 -9.520 1.00 0.00 H new ATOM 196 N SER A 14 132.695 4.367 -9.423 1.00 0.00 N ATOM 197 CA SER A 14 132.130 3.031 -9.373 1.00 0.00 C ATOM 198 C SER A 14 131.638 2.703 -7.954 1.00 0.00 C ATOM 199 O SER A 14 132.453 2.460 -7.038 1.00 0.00 O ATOM 200 CB SER A 14 133.149 1.972 -9.844 1.00 0.00 C ATOM 201 OG SER A 14 132.615 0.649 -9.794 1.00 0.00 O ATOM 0 H SER A 14 132.749 4.820 -8.511 1.00 0.00 H new ATOM 0 HA SER A 14 131.279 3.007 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 14 133.460 2.198 -10.864 1.00 0.00 H new ATOM 0 HB3 SER A 14 134.041 2.026 -9.220 1.00 0.00 H new ATOM 0 HG SER A 14 133.292 0.011 -10.102 1.00 0.00 H new ATOM 207 N PHE A 15 130.307 2.694 -7.776 1.00 0.00 N ATOM 208 CA PHE A 15 129.675 2.316 -6.504 1.00 0.00 C ATOM 209 C PHE A 15 130.119 0.914 -6.102 1.00 0.00 C ATOM 210 O PHE A 15 130.254 0.617 -4.929 1.00 0.00 O ATOM 211 CB PHE A 15 128.129 2.406 -6.620 1.00 0.00 C ATOM 212 CG PHE A 15 127.325 1.960 -5.401 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.644 2.385 -4.124 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.234 1.128 -5.554 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.891 1.985 -3.032 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.482 0.726 -4.467 1.00 0.00 C ATOM 217 CZ PHE A 15 125.811 1.156 -3.209 1.00 0.00 C ATOM 0 H PHE A 15 129.642 2.948 -8.507 1.00 0.00 H new ATOM 0 HA PHE A 15 129.990 3.011 -5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.864 3.439 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.816 1.805 -7.473 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.492 3.038 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.963 0.785 -6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.154 2.325 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.634 0.072 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.223 0.844 -2.359 1.00 0.00 H new ATOM 227 N ASP A 16 130.403 0.088 -7.097 1.00 0.00 N ATOM 228 CA ASP A 16 130.884 -1.270 -6.884 1.00 0.00 C ATOM 229 C ASP A 16 132.171 -1.294 -6.067 1.00 0.00 C ATOM 230 O ASP A 16 132.253 -2.005 -5.073 1.00 0.00 O ATOM 231 CB ASP A 16 131.119 -1.987 -8.213 1.00 0.00 C ATOM 232 CG ASP A 16 131.667 -3.386 -8.031 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.865 -4.345 -7.915 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.890 -3.559 -7.997 1.00 0.00 O ATOM 0 H ASP A 16 130.306 0.341 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 16 130.107 -1.791 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.181 -2.037 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.814 -1.404 -8.818 1.00 0.00 H new ATOM 239 N LYS A 17 133.157 -0.483 -6.437 1.00 0.00 N ATOM 240 CA LYS A 17 134.440 -0.531 -5.732 1.00 0.00 C ATOM 241 C LYS A 17 134.343 0.159 -4.383 1.00 0.00 C ATOM 242 O LYS A 17 135.065 -0.190 -3.446 1.00 0.00 O ATOM 243 CB LYS A 17 135.608 0.003 -6.573 1.00 0.00 C ATOM 244 CG LYS A 17 135.484 1.442 -7.003 1.00 0.00 C ATOM 245 CD LYS A 17 136.649 1.871 -7.878 1.00 0.00 C ATOM 246 CE LYS A 17 136.737 1.067 -9.168 1.00 0.00 C ATOM 247 NZ LYS A 17 137.763 1.621 -10.076 1.00 0.00 N ATOM 0 H LYS A 17 133.101 0.196 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 17 134.665 -1.583 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 136.529 -0.110 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 17 135.708 -0.618 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 17 134.550 1.579 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 17 135.436 2.082 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.547 2.929 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.579 1.759 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.975 0.029 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 17 135.768 1.068 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.742 1.106 -10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.568 2.628 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.702 1.519 -9.642 1.00 0.00 H new ATOM 261 N LEU A 18 133.440 1.118 -4.293 1.00 0.00 N ATOM 262 CA LEU A 18 133.104 1.767 -3.035 1.00 0.00 C ATOM 263 C LEU A 18 132.611 0.710 -2.062 1.00 0.00 C ATOM 264 O LEU A 18 133.160 0.510 -0.976 1.00 0.00 O ATOM 265 CB LEU A 18 131.970 2.789 -3.300 1.00 0.00 C ATOM 266 CG LEU A 18 131.164 3.301 -2.087 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.029 4.042 -1.116 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.040 4.186 -2.543 1.00 0.00 C ATOM 0 H LEU A 18 132.915 1.472 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 18 133.974 2.275 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.408 3.653 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.269 2.337 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 18 130.757 2.428 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.423 4.385 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.814 3.380 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.481 4.901 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.481 4.539 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.446 5.040 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.376 3.622 -3.198 1.00 0.00 H new ATOM 280 N LEU A 19 131.642 -0.003 -2.531 1.00 0.00 N ATOM 281 CA LEU A 19 130.900 -0.970 -1.787 1.00 0.00 C ATOM 282 C LEU A 19 131.739 -2.214 -1.459 1.00 0.00 C ATOM 283 O LEU A 19 131.549 -2.845 -0.423 1.00 0.00 O ATOM 284 CB LEU A 19 129.728 -1.334 -2.659 1.00 0.00 C ATOM 285 CG LEU A 19 128.496 -1.849 -1.998 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.007 -0.832 -0.966 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.447 -2.073 -3.071 1.00 0.00 C ATOM 0 H LEU A 19 131.328 0.077 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 19 130.588 -0.564 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.453 -0.450 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.064 -2.087 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 19 128.696 -2.787 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.106 -1.209 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.782 -0.673 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.784 0.112 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.533 -2.451 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.237 -1.131 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.817 -2.799 -3.795 1.00 0.00 H new ATOM 299 N SER A 20 132.668 -2.551 -2.334 1.00 0.00 N ATOM 300 CA SER A 20 133.509 -3.730 -2.148 1.00 0.00 C ATOM 301 C SER A 20 134.736 -3.426 -1.272 1.00 0.00 C ATOM 302 O SER A 20 135.568 -4.299 -1.010 1.00 0.00 O ATOM 303 CB SER A 20 133.932 -4.280 -3.507 1.00 0.00 C ATOM 304 OG SER A 20 132.786 -4.496 -4.329 1.00 0.00 O ATOM 0 H SER A 20 132.864 -2.025 -3.186 1.00 0.00 H new ATOM 0 HA SER A 20 132.924 -4.485 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.612 -3.581 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.476 -5.215 -3.376 1.00 0.00 H new ATOM 0 HG SER A 20 132.527 -3.654 -4.758 1.00 0.00 H new ATOM 310 N HIS A 21 134.839 -2.205 -0.813 1.00 0.00 N ATOM 311 CA HIS A 21 135.916 -1.804 0.058 1.00 0.00 C ATOM 312 C HIS A 21 135.261 -1.632 1.400 1.00 0.00 C ATOM 313 O HIS A 21 134.270 -0.934 1.472 1.00 0.00 O ATOM 314 CB HIS A 21 136.480 -0.451 -0.417 1.00 0.00 C ATOM 315 CG HIS A 21 137.894 -0.139 0.004 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.220 0.692 1.052 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.071 -0.493 -0.557 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.532 0.833 1.102 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.073 0.134 0.140 1.00 0.00 N ATOM 0 H HIS A 21 134.178 -1.459 -1.032 1.00 0.00 H new ATOM 0 HA HIS A 21 136.736 -2.522 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.431 -0.422 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.829 0.341 -0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.200 -1.152 -1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.071 1.430 1.822 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.071 0.066 -0.059 1.00 0.00 H new ATOM 328 N ARG A 22 135.784 -2.232 2.453 1.00 0.00 N ATOM 329 CA ARG A 22 135.121 -2.166 3.772 1.00 0.00 C ATOM 330 C ARG A 22 134.968 -0.723 4.234 1.00 0.00 C ATOM 331 O ARG A 22 133.953 -0.354 4.780 1.00 0.00 O ATOM 332 CB ARG A 22 135.842 -2.994 4.839 1.00 0.00 C ATOM 333 CG ARG A 22 135.887 -4.489 4.573 1.00 0.00 C ATOM 334 CD ARG A 22 136.548 -5.230 5.732 1.00 0.00 C ATOM 335 NE ARG A 22 135.782 -5.102 6.989 1.00 0.00 N ATOM 336 CZ ARG A 22 136.313 -4.916 8.218 1.00 0.00 C ATOM 337 NH1 ARG A 22 137.620 -4.701 8.366 1.00 0.00 N ATOM 338 NH2 ARG A 22 135.526 -4.922 9.293 1.00 0.00 N ATOM 0 H ARG A 22 136.652 -2.767 2.438 1.00 0.00 H new ATOM 0 HA ARG A 22 134.131 -2.604 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.864 -2.626 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.353 -2.826 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 22 134.875 -4.866 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 22 136.437 -4.682 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 22 136.648 -6.285 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.555 -4.841 5.882 1.00 0.00 H new ATOM 0 HE ARG A 22 134.766 -5.159 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 22 138.229 -4.676 7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 22 138.012 -4.562 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 22 134.522 -5.067 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 135.928 -4.782 10.220 1.00 0.00 H new ATOM 352 N ASP A 23 135.977 0.095 3.948 1.00 0.00 N ATOM 353 CA ASP A 23 135.940 1.537 4.272 1.00 0.00 C ATOM 354 C ASP A 23 134.805 2.236 3.546 1.00 0.00 C ATOM 355 O ASP A 23 134.193 3.159 4.076 1.00 0.00 O ATOM 356 CB ASP A 23 137.249 2.243 3.887 1.00 0.00 C ATOM 357 CG ASP A 23 138.441 1.790 4.669 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.083 0.805 4.256 1.00 0.00 O ATOM 359 OD2 ASP A 23 138.766 2.415 5.698 1.00 0.00 O ATOM 0 H ASP A 23 136.837 -0.208 3.491 1.00 0.00 H new ATOM 0 HA ASP A 23 135.793 1.600 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.440 2.078 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.124 3.317 4.025 1.00 0.00 H new ATOM 364 N GLY A 24 134.515 1.781 2.336 1.00 0.00 N ATOM 365 CA GLY A 24 133.496 2.412 1.536 1.00 0.00 C ATOM 366 C GLY A 24 132.155 1.877 1.862 1.00 0.00 C ATOM 367 O GLY A 24 131.186 2.612 1.897 1.00 0.00 O ATOM 0 H GLY A 24 134.972 0.982 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.512 3.489 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.708 2.251 0.479 1.00 0.00 H new ATOM 371 N LEU A 25 132.109 0.588 2.098 1.00 0.00 N ATOM 372 CA LEU A 25 130.934 -0.084 2.598 1.00 0.00 C ATOM 373 C LEU A 25 130.478 0.604 3.871 1.00 0.00 C ATOM 374 O LEU A 25 129.294 0.878 4.063 1.00 0.00 O ATOM 375 CB LEU A 25 131.272 -1.589 2.801 1.00 0.00 C ATOM 376 CG LEU A 25 130.524 -2.384 3.890 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.486 -3.852 3.498 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.273 -2.264 5.232 1.00 0.00 C ATOM 0 H LEU A 25 132.902 -0.035 1.945 1.00 0.00 H new ATOM 0 HA LEU A 25 130.105 -0.029 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.104 -2.095 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.338 -1.661 3.016 1.00 0.00 H new ATOM 0 HG LEU A 25 129.514 -1.986 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.958 -4.420 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.969 -3.961 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.504 -4.230 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.740 -2.828 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.281 -2.664 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.328 -1.216 5.525 1.00 0.00 H new ATOM 390 N GLU A 26 131.442 0.931 4.694 1.00 0.00 N ATOM 391 CA GLU A 26 131.211 1.624 5.908 1.00 0.00 C ATOM 392 C GLU A 26 130.812 3.078 5.617 1.00 0.00 C ATOM 393 O GLU A 26 129.857 3.560 6.182 1.00 0.00 O ATOM 394 CB GLU A 26 132.458 1.548 6.778 1.00 0.00 C ATOM 395 CG GLU A 26 132.305 2.138 8.177 1.00 0.00 C ATOM 396 CD GLU A 26 131.464 1.284 9.092 1.00 0.00 C ATOM 397 OE1 GLU A 26 130.257 1.147 8.873 1.00 0.00 O ATOM 398 OE2 GLU A 26 132.023 0.703 10.053 1.00 0.00 O ATOM 0 H GLU A 26 132.424 0.713 4.523 1.00 0.00 H new ATOM 0 HA GLU A 26 130.387 1.159 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.755 0.503 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.270 2.066 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.293 2.270 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 26 131.856 3.128 8.100 1.00 0.00 H new ATOM 405 N ALA A 27 131.510 3.758 4.676 1.00 0.00 N ATOM 406 CA ALA A 27 131.192 5.175 4.377 1.00 0.00 C ATOM 407 C ALA A 27 129.784 5.295 3.859 1.00 0.00 C ATOM 408 O ALA A 27 129.012 6.160 4.298 1.00 0.00 O ATOM 409 CB ALA A 27 132.164 5.805 3.365 1.00 0.00 C ATOM 0 H ALA A 27 132.273 3.364 4.126 1.00 0.00 H new ATOM 0 HA ALA A 27 131.296 5.721 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.881 6.842 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.178 5.769 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.123 5.251 2.427 1.00 0.00 H new ATOM 415 N PHE A 28 129.434 4.402 2.958 1.00 0.00 N ATOM 416 CA PHE A 28 128.142 4.420 2.354 1.00 0.00 C ATOM 417 C PHE A 28 127.079 4.058 3.369 1.00 0.00 C ATOM 418 O PHE A 28 126.043 4.713 3.425 1.00 0.00 O ATOM 419 CB PHE A 28 128.074 3.504 1.127 1.00 0.00 C ATOM 420 CG PHE A 28 126.788 3.645 0.364 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.602 4.711 -0.495 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.763 2.732 0.520 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.421 4.863 -1.185 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.580 2.882 -0.166 1.00 0.00 C ATOM 425 CZ PHE A 28 124.408 3.947 -1.021 1.00 0.00 C ATOM 0 H PHE A 28 130.042 3.651 2.632 1.00 0.00 H new ATOM 0 HA PHE A 28 127.952 5.434 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.910 3.729 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.190 2.468 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.393 5.434 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.892 1.892 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.290 5.700 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.785 2.163 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.480 4.063 -1.562 1.00 0.00 H new ATOM 435 N THR A 29 127.336 3.044 4.206 1.00 0.00 N ATOM 436 CA THR A 29 126.352 2.687 5.191 1.00 0.00 C ATOM 437 C THR A 29 126.178 3.810 6.217 1.00 0.00 C ATOM 438 O THR A 29 125.086 4.054 6.622 1.00 0.00 O ATOM 439 CB THR A 29 126.547 1.276 5.875 1.00 0.00 C ATOM 440 OG1 THR A 29 125.368 0.936 6.649 1.00 0.00 O ATOM 441 CG2 THR A 29 127.741 1.251 6.803 1.00 0.00 C ATOM 0 H THR A 29 128.189 2.485 4.211 1.00 0.00 H new ATOM 0 HA THR A 29 125.424 2.568 4.632 1.00 0.00 H new ATOM 0 HB THR A 29 126.712 0.556 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 29 125.219 -0.032 6.609 1.00 0.00 H new ATOM 0 HG21 THR A 29 127.834 0.261 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 29 128.645 1.481 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.606 1.993 7.590 1.00 0.00 H new ATOM 449 N ARG A 30 127.259 4.545 6.575 1.00 0.00 N ATOM 450 CA ARG A 30 127.132 5.692 7.512 1.00 0.00 C ATOM 451 C ARG A 30 126.084 6.672 6.983 1.00 0.00 C ATOM 452 O ARG A 30 125.172 7.095 7.716 1.00 0.00 O ATOM 453 CB ARG A 30 128.461 6.457 7.706 1.00 0.00 C ATOM 454 CG ARG A 30 129.626 5.649 8.253 1.00 0.00 C ATOM 455 CD ARG A 30 130.843 6.534 8.475 1.00 0.00 C ATOM 456 NE ARG A 30 132.057 5.767 8.814 1.00 0.00 N ATOM 457 CZ ARG A 30 132.674 5.773 10.016 1.00 0.00 C ATOM 458 NH1 ARG A 30 132.102 6.364 11.058 1.00 0.00 N ATOM 459 NH2 ARG A 30 133.849 5.155 10.173 1.00 0.00 N ATOM 0 H ARG A 30 128.207 4.372 6.240 1.00 0.00 H new ATOM 0 HA ARG A 30 126.837 5.279 8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.757 6.878 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.279 7.295 8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.338 5.178 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.876 4.847 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.029 7.120 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.630 7.241 9.277 1.00 0.00 H new ATOM 0 HE ARG A 30 132.463 5.185 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 30 131.194 6.816 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 30 132.571 6.366 11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 30 134.283 4.677 9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 30 134.311 5.162 11.082 1.00 0.00 H new ATOM 473 N PHE A 31 126.189 6.986 5.706 1.00 0.00 N ATOM 474 CA PHE A 31 125.255 7.878 5.056 1.00 0.00 C ATOM 475 C PHE A 31 123.874 7.225 4.965 1.00 0.00 C ATOM 476 O PHE A 31 122.863 7.838 5.294 1.00 0.00 O ATOM 477 CB PHE A 31 125.774 8.273 3.666 1.00 0.00 C ATOM 478 CG PHE A 31 124.862 9.197 2.912 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.703 10.512 3.311 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.160 8.747 1.809 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.862 11.361 2.624 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.318 9.590 1.120 1.00 0.00 C ATOM 483 CZ PHE A 31 123.169 10.899 1.529 1.00 0.00 C ATOM 0 H PHE A 31 126.923 6.630 5.094 1.00 0.00 H new ATOM 0 HA PHE A 31 125.161 8.786 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.748 8.750 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 31 125.927 7.369 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.244 10.878 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.274 7.723 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.747 12.386 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.775 9.227 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.508 11.561 0.989 1.00 0.00 H new ATOM 493 N LEU A 32 123.857 5.966 4.584 1.00 0.00 N ATOM 494 CA LEU A 32 122.631 5.191 4.433 1.00 0.00 C ATOM 495 C LEU A 32 121.900 5.087 5.795 1.00 0.00 C ATOM 496 O LEU A 32 120.691 5.004 5.854 1.00 0.00 O ATOM 497 CB LEU A 32 123.002 3.790 3.918 1.00 0.00 C ATOM 498 CG LEU A 32 121.949 3.011 3.116 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.519 3.794 1.889 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.525 1.669 2.698 1.00 0.00 C ATOM 0 H LEU A 32 124.703 5.439 4.366 1.00 0.00 H new ATOM 0 HA LEU A 32 121.963 5.680 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.890 3.889 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.283 3.182 4.778 1.00 0.00 H new ATOM 0 HG LEU A 32 121.073 2.854 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.773 3.223 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.091 4.748 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.384 3.974 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.779 1.114 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.408 1.829 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.801 1.099 3.585 1.00 0.00 H new ATOM 512 N LYS A 33 122.660 5.089 6.877 1.00 0.00 N ATOM 513 CA LYS A 33 122.108 5.049 8.225 1.00 0.00 C ATOM 514 C LYS A 33 121.535 6.406 8.604 1.00 0.00 C ATOM 515 O LYS A 33 120.435 6.493 9.142 1.00 0.00 O ATOM 516 CB LYS A 33 123.172 4.643 9.271 1.00 0.00 C ATOM 517 CG LYS A 33 123.774 3.265 9.081 1.00 0.00 C ATOM 518 CD LYS A 33 124.755 2.932 10.191 1.00 0.00 C ATOM 519 CE LYS A 33 125.637 1.736 9.843 1.00 0.00 C ATOM 520 NZ LYS A 33 124.870 0.571 9.361 1.00 0.00 N ATOM 0 H LYS A 33 123.679 5.118 6.848 1.00 0.00 H new ATOM 0 HA LYS A 33 121.319 4.297 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 33 123.976 5.379 9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.720 4.691 10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 33 122.980 2.519 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.282 3.218 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.384 3.800 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.205 2.721 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.355 2.032 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.210 1.447 10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.345 -0.305 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 123.910 0.598 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 124.814 0.598 8.323 1.00 0.00 H new ATOM 534 N THR A 34 122.260 7.467 8.285 1.00 0.00 N ATOM 535 CA THR A 34 121.844 8.797 8.668 1.00 0.00 C ATOM 536 C THR A 34 120.649 9.292 7.807 1.00 0.00 C ATOM 537 O THR A 34 119.911 10.191 8.218 1.00 0.00 O ATOM 538 CB THR A 34 123.047 9.816 8.681 1.00 0.00 C ATOM 539 OG1 THR A 34 122.673 11.062 9.312 1.00 0.00 O ATOM 540 CG2 THR A 34 123.554 10.109 7.278 1.00 0.00 C ATOM 0 H THR A 34 123.136 7.428 7.763 1.00 0.00 H new ATOM 0 HA THR A 34 121.487 8.740 9.696 1.00 0.00 H new ATOM 0 HB THR A 34 123.844 9.343 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.439 11.674 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.383 10.815 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.895 9.184 6.814 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.749 10.539 6.682 1.00 0.00 H new ATOM 548 N GLU A 35 120.445 8.703 6.629 1.00 0.00 N ATOM 549 CA GLU A 35 119.276 9.051 5.830 1.00 0.00 C ATOM 550 C GLU A 35 118.127 8.033 6.039 1.00 0.00 C ATOM 551 O GLU A 35 117.090 8.049 5.351 1.00 0.00 O ATOM 552 CB GLU A 35 119.639 9.397 4.352 1.00 0.00 C ATOM 553 CG GLU A 35 120.343 8.331 3.528 1.00 0.00 C ATOM 554 CD GLU A 35 119.428 7.286 3.064 1.00 0.00 C ATOM 555 OE1 GLU A 35 118.815 7.439 1.986 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.287 6.318 3.744 1.00 0.00 O ATOM 0 H GLU A 35 121.058 8.000 6.217 1.00 0.00 H new ATOM 0 HA GLU A 35 118.867 9.992 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.718 9.666 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 35 120.271 10.285 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.822 8.799 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 35 121.134 7.878 4.126 1.00 0.00 H new ATOM 563 N PHE A 36 118.349 7.184 7.047 1.00 0.00 N ATOM 564 CA PHE A 36 117.379 6.245 7.629 1.00 0.00 C ATOM 565 C PHE A 36 117.061 5.023 6.737 1.00 0.00 C ATOM 566 O PHE A 36 115.995 4.400 6.858 1.00 0.00 O ATOM 567 CB PHE A 36 116.099 6.992 8.077 1.00 0.00 C ATOM 568 CG PHE A 36 115.398 6.343 9.244 1.00 0.00 C ATOM 569 CD1 PHE A 36 115.900 6.501 10.519 1.00 0.00 C ATOM 570 CD2 PHE A 36 114.252 5.587 9.070 1.00 0.00 C ATOM 571 CE1 PHE A 36 115.278 5.918 11.603 1.00 0.00 C ATOM 572 CE2 PHE A 36 113.622 5.001 10.149 1.00 0.00 C ATOM 573 CZ PHE A 36 114.137 5.165 11.418 1.00 0.00 C ATOM 0 H PHE A 36 119.259 7.129 7.505 1.00 0.00 H new ATOM 0 HA PHE A 36 117.859 5.819 8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.361 8.016 8.345 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.409 7.049 7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 116.793 7.090 10.671 1.00 0.00 H new ATOM 0 HD2 PHE A 36 113.846 5.454 8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 115.683 6.051 12.595 1.00 0.00 H new ATOM 0 HE2 PHE A 36 112.727 4.415 10.000 1.00 0.00 H new ATOM 0 HZ PHE A 36 113.648 4.705 12.264 1.00 0.00 H new ATOM 583 N SER A 37 117.968 4.645 5.891 1.00 0.00 N ATOM 584 CA SER A 37 117.778 3.443 5.146 1.00 0.00 C ATOM 585 C SER A 37 118.523 2.300 5.825 1.00 0.00 C ATOM 586 O SER A 37 117.917 1.548 6.592 1.00 0.00 O ATOM 587 CB SER A 37 118.195 3.610 3.693 1.00 0.00 C ATOM 588 OG SER A 37 117.467 4.661 3.092 1.00 0.00 O ATOM 0 H SER A 37 118.837 5.145 5.701 1.00 0.00 H new ATOM 0 HA SER A 37 116.715 3.203 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.263 3.819 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 37 118.022 2.681 3.149 1.00 0.00 H new ATOM 0 HG SER A 37 117.773 5.519 3.453 1.00 0.00 H new ATOM 594 N GLU A 38 119.852 2.220 5.598 1.00 0.00 N ATOM 595 CA GLU A 38 120.763 1.148 6.115 1.00 0.00 C ATOM 596 C GLU A 38 120.417 -0.254 5.544 1.00 0.00 C ATOM 597 O GLU A 38 121.294 -0.979 5.053 1.00 0.00 O ATOM 598 CB GLU A 38 120.784 1.101 7.656 1.00 0.00 C ATOM 599 CG GLU A 38 121.672 0.000 8.206 1.00 0.00 C ATOM 600 CD GLU A 38 121.608 -0.149 9.698 1.00 0.00 C ATOM 601 OE1 GLU A 38 120.762 -0.917 10.201 1.00 0.00 O ATOM 602 OE2 GLU A 38 122.405 0.492 10.408 1.00 0.00 O ATOM 0 H GLU A 38 120.345 2.913 5.036 1.00 0.00 H new ATOM 0 HA GLU A 38 121.760 1.414 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.128 2.062 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 38 119.768 0.957 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 38 121.388 -0.946 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 38 122.703 0.200 7.915 1.00 0.00 H new ATOM 609 N GLU A 39 119.136 -0.572 5.598 1.00 0.00 N ATOM 610 CA GLU A 39 118.500 -1.814 5.178 1.00 0.00 C ATOM 611 C GLU A 39 119.068 -2.401 3.896 1.00 0.00 C ATOM 612 O GLU A 39 119.236 -3.568 3.809 1.00 0.00 O ATOM 613 CB GLU A 39 116.994 -1.545 5.005 1.00 0.00 C ATOM 614 CG GLU A 39 116.705 -0.333 4.116 1.00 0.00 C ATOM 615 CD GLU A 39 115.253 -0.003 3.972 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.640 0.488 4.945 1.00 0.00 O ATOM 617 OE2 GLU A 39 114.703 -0.159 2.865 1.00 0.00 O ATOM 0 H GLU A 39 118.452 0.088 5.969 1.00 0.00 H new ATOM 0 HA GLU A 39 118.695 -2.557 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.519 -2.427 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.543 -1.387 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 117.223 0.534 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 39 117.123 -0.516 3.126 1.00 0.00 H new ATOM 624 N ASN A 40 119.385 -1.560 2.947 1.00 0.00 N ATOM 625 CA ASN A 40 119.848 -1.969 1.625 1.00 0.00 C ATOM 626 C ASN A 40 121.215 -2.672 1.670 1.00 0.00 C ATOM 627 O ASN A 40 121.402 -3.828 1.181 1.00 0.00 O ATOM 628 CB ASN A 40 119.986 -0.730 0.745 1.00 0.00 C ATOM 629 CG ASN A 40 118.736 0.097 0.643 1.00 0.00 C ATOM 630 OD1 ASN A 40 118.510 0.988 1.456 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.929 -0.174 -0.341 1.00 0.00 N ATOM 0 H ASN A 40 119.331 -0.548 3.063 1.00 0.00 H new ATOM 0 HA ASN A 40 119.115 -2.672 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 40 120.789 -0.107 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 40 120.285 -1.041 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 40 117.070 0.363 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.155 -0.924 -0.995 1.00 0.00 H new ATOM 638 N ILE A 41 122.155 -2.006 2.270 1.00 0.00 N ATOM 639 CA ILE A 41 123.517 -2.460 2.255 1.00 0.00 C ATOM 640 C ILE A 41 123.653 -3.677 3.164 1.00 0.00 C ATOM 641 O ILE A 41 124.280 -4.675 2.820 1.00 0.00 O ATOM 642 CB ILE A 41 124.465 -1.295 2.652 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.890 -1.524 2.148 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.425 -0.988 4.163 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.783 -0.324 2.331 1.00 0.00 C ATOM 0 H ILE A 41 122.003 -1.137 2.782 1.00 0.00 H new ATOM 0 HA ILE A 41 123.807 -2.772 1.252 1.00 0.00 H new ATOM 0 HB ILE A 41 124.088 -0.404 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 41 126.323 -2.375 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.857 -1.787 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.106 -0.166 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.412 -0.708 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.729 -1.873 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.780 -0.551 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.371 0.523 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.844 -0.074 3.390 1.00 0.00 H new ATOM 657 N GLU A 42 122.956 -3.613 4.268 1.00 0.00 N ATOM 658 CA GLU A 42 122.914 -4.658 5.231 1.00 0.00 C ATOM 659 C GLU A 42 122.045 -5.826 4.722 1.00 0.00 C ATOM 660 O GLU A 42 122.186 -6.966 5.185 1.00 0.00 O ATOM 661 CB GLU A 42 122.385 -4.092 6.532 1.00 0.00 C ATOM 662 CG GLU A 42 123.436 -3.603 7.548 1.00 0.00 C ATOM 663 CD GLU A 42 124.514 -2.649 7.109 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.278 -1.436 7.106 1.00 0.00 O ATOM 665 OE2 GLU A 42 125.657 -3.082 6.925 1.00 0.00 O ATOM 0 H GLU A 42 122.388 -2.804 4.520 1.00 0.00 H new ATOM 0 HA GLU A 42 123.915 -5.056 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.724 -3.258 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.775 -4.856 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 42 122.898 -3.130 8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.929 -4.485 7.956 1.00 0.00 H new ATOM 672 N PHE A 43 121.164 -5.526 3.763 1.00 0.00 N ATOM 673 CA PHE A 43 120.310 -6.516 3.099 1.00 0.00 C ATOM 674 C PHE A 43 121.160 -7.550 2.462 1.00 0.00 C ATOM 675 O PHE A 43 121.102 -8.732 2.837 1.00 0.00 O ATOM 676 CB PHE A 43 119.430 -5.851 2.021 1.00 0.00 C ATOM 677 CG PHE A 43 118.660 -6.780 1.134 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.407 -7.185 1.482 1.00 0.00 C ATOM 679 CD2 PHE A 43 119.201 -7.226 -0.068 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.694 -8.018 0.667 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.496 -8.063 -0.887 1.00 0.00 C ATOM 682 CZ PHE A 43 117.242 -8.460 -0.522 1.00 0.00 C ATOM 0 H PHE A 43 121.022 -4.576 3.421 1.00 0.00 H new ATOM 0 HA PHE A 43 119.661 -6.969 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.723 -5.186 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 43 120.068 -5.228 1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.973 -6.845 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 43 120.191 -6.907 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.701 -8.331 0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.928 -8.407 -1.815 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.677 -9.120 -1.163 1.00 0.00 H new ATOM 692 N TRP A 44 121.984 -7.140 1.505 1.00 0.00 N ATOM 693 CA TRP A 44 122.797 -8.147 0.875 1.00 0.00 C ATOM 694 C TRP A 44 123.939 -8.614 1.738 1.00 0.00 C ATOM 695 O TRP A 44 124.499 -9.645 1.491 1.00 0.00 O ATOM 696 CB TRP A 44 123.168 -7.920 -0.607 1.00 0.00 C ATOM 697 CG TRP A 44 123.784 -6.616 -0.951 1.00 0.00 C ATOM 698 CD1 TRP A 44 123.275 -5.698 -1.813 1.00 0.00 C ATOM 699 CD2 TRP A 44 125.013 -6.076 -0.459 1.00 0.00 C ATOM 700 NE1 TRP A 44 124.113 -4.636 -1.909 1.00 0.00 N ATOM 701 CE2 TRP A 44 125.184 -4.837 -1.067 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.989 -6.521 0.439 1.00 0.00 C ATOM 703 CZ2 TRP A 44 126.274 -4.041 -0.803 1.00 0.00 C ATOM 704 CZ3 TRP A 44 127.073 -5.724 0.697 1.00 0.00 C ATOM 705 CH2 TRP A 44 127.207 -4.497 0.079 1.00 0.00 C ATOM 0 H TRP A 44 122.098 -6.183 1.172 1.00 0.00 H new ATOM 0 HA TRP A 44 122.113 -8.992 0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.855 -8.710 -0.910 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.264 -8.037 -1.205 1.00 0.00 H new ATOM 0 HD1 TRP A 44 122.340 -5.799 -2.344 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.973 -3.822 -2.507 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.889 -7.481 0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 126.387 -3.080 -1.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.830 -6.059 1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 44 128.070 -3.886 0.299 1.00 0.00 H new ATOM 716 N ILE A 45 124.261 -7.856 2.778 1.00 0.00 N ATOM 717 CA ILE A 45 125.219 -8.318 3.772 1.00 0.00 C ATOM 718 C ILE A 45 124.706 -9.602 4.419 1.00 0.00 C ATOM 719 O ILE A 45 125.448 -10.578 4.548 1.00 0.00 O ATOM 720 CB ILE A 45 125.564 -7.206 4.816 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.603 -6.259 4.202 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.022 -7.754 6.174 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.043 -5.138 5.096 1.00 0.00 C ATOM 0 H ILE A 45 123.877 -6.928 2.954 1.00 0.00 H new ATOM 0 HA ILE A 45 126.161 -8.546 3.274 1.00 0.00 H new ATOM 0 HB ILE A 45 124.648 -6.659 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.479 -6.841 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.190 -5.834 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.243 -6.924 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.231 -8.368 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.918 -8.360 6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.777 -4.524 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.181 -4.526 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.491 -5.549 6.001 1.00 0.00 H new ATOM 735 N ALA A 46 123.416 -9.622 4.736 1.00 0.00 N ATOM 736 CA ALA A 46 122.776 -10.815 5.264 1.00 0.00 C ATOM 737 C ALA A 46 122.724 -11.883 4.180 1.00 0.00 C ATOM 738 O ALA A 46 123.013 -13.045 4.434 1.00 0.00 O ATOM 739 CB ALA A 46 121.363 -10.504 5.736 1.00 0.00 C ATOM 0 H ALA A 46 122.793 -8.821 4.635 1.00 0.00 H new ATOM 0 HA ALA A 46 123.356 -11.175 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.902 -11.411 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.400 -9.748 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.774 -10.130 4.899 1.00 0.00 H new ATOM 745 N CYS A 47 122.391 -11.464 2.966 1.00 0.00 N ATOM 746 CA CYS A 47 122.254 -12.369 1.826 1.00 0.00 C ATOM 747 C CYS A 47 123.581 -13.047 1.451 1.00 0.00 C ATOM 748 O CYS A 47 123.616 -14.247 1.180 1.00 0.00 O ATOM 749 CB CYS A 47 121.668 -11.623 0.631 1.00 0.00 C ATOM 750 SG CYS A 47 120.070 -10.849 0.977 1.00 0.00 S ATOM 0 H CYS A 47 122.207 -10.486 2.741 1.00 0.00 H new ATOM 0 HA CYS A 47 121.570 -13.165 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.373 -10.856 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 47 121.554 -12.318 -0.201 1.00 0.00 H new ATOM 0 HG CYS A 47 120.238 -9.856 1.799 1.00 0.00 H new ATOM 756 N GLU A 48 124.667 -12.296 1.451 1.00 0.00 N ATOM 757 CA GLU A 48 125.954 -12.870 1.146 1.00 0.00 C ATOM 758 C GLU A 48 126.446 -13.681 2.328 1.00 0.00 C ATOM 759 O GLU A 48 127.098 -14.677 2.144 1.00 0.00 O ATOM 760 CB GLU A 48 126.998 -11.827 0.766 1.00 0.00 C ATOM 761 CG GLU A 48 126.630 -10.922 -0.391 1.00 0.00 C ATOM 762 CD GLU A 48 126.579 -11.657 -1.687 1.00 0.00 C ATOM 763 OE1 GLU A 48 127.655 -11.910 -2.281 1.00 0.00 O ATOM 764 OE2 GLU A 48 125.486 -11.993 -2.158 1.00 0.00 O ATOM 0 H GLU A 48 124.679 -11.297 1.657 1.00 0.00 H new ATOM 0 HA GLU A 48 125.817 -13.512 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.200 -11.206 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.927 -12.342 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 48 125.660 -10.463 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.357 -10.113 -0.463 1.00 0.00 H new ATOM 771 N ASP A 49 126.107 -13.252 3.554 1.00 0.00 N ATOM 772 CA ASP A 49 126.472 -14.019 4.770 1.00 0.00 C ATOM 773 C ASP A 49 125.793 -15.367 4.711 1.00 0.00 C ATOM 774 O ASP A 49 126.379 -16.399 5.026 1.00 0.00 O ATOM 775 CB ASP A 49 126.023 -13.299 6.050 1.00 0.00 C ATOM 776 CG ASP A 49 126.400 -14.055 7.315 1.00 0.00 C ATOM 777 OD1 ASP A 49 125.626 -14.929 7.777 1.00 0.00 O ATOM 778 OD2 ASP A 49 127.482 -13.792 7.869 1.00 0.00 O ATOM 0 H ASP A 49 125.589 -12.392 3.735 1.00 0.00 H new ATOM 0 HA ASP A 49 127.557 -14.122 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.471 -12.306 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.942 -13.161 6.023 1.00 0.00 H new ATOM 783 N PHE A 50 124.560 -15.328 4.276 1.00 0.00 N ATOM 784 CA PHE A 50 123.729 -16.492 4.041 1.00 0.00 C ATOM 785 C PHE A 50 124.396 -17.405 3.009 1.00 0.00 C ATOM 786 O PHE A 50 124.443 -18.616 3.161 1.00 0.00 O ATOM 787 CB PHE A 50 122.363 -15.990 3.549 1.00 0.00 C ATOM 788 CG PHE A 50 121.454 -17.026 3.021 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.761 -17.835 3.869 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.303 -17.188 1.657 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.924 -18.802 3.381 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.473 -18.148 1.160 1.00 0.00 C ATOM 793 CZ PHE A 50 119.780 -18.961 2.024 1.00 0.00 C ATOM 0 H PHE A 50 124.083 -14.451 4.066 1.00 0.00 H new ATOM 0 HA PHE A 50 123.598 -17.076 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.864 -15.481 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.529 -15.246 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.873 -17.713 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.848 -16.548 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.378 -19.439 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.361 -18.269 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.122 -19.725 1.636 1.00 0.00 H new ATOM 803 N LYS A 51 124.938 -16.782 2.000 1.00 0.00 N ATOM 804 CA LYS A 51 125.665 -17.436 0.934 1.00 0.00 C ATOM 805 C LYS A 51 126.992 -18.043 1.460 1.00 0.00 C ATOM 806 O LYS A 51 127.566 -18.955 0.844 1.00 0.00 O ATOM 807 CB LYS A 51 125.923 -16.382 -0.148 1.00 0.00 C ATOM 808 CG LYS A 51 126.707 -16.830 -1.355 1.00 0.00 C ATOM 809 CD LYS A 51 126.911 -15.666 -2.313 1.00 0.00 C ATOM 810 CE LYS A 51 125.582 -15.143 -2.844 1.00 0.00 C ATOM 811 NZ LYS A 51 125.763 -14.029 -3.787 1.00 0.00 N ATOM 0 H LYS A 51 124.887 -15.769 1.888 1.00 0.00 H new ATOM 0 HA LYS A 51 125.088 -18.265 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 51 124.960 -16.002 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 51 126.452 -15.546 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 51 127.673 -17.227 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.179 -17.638 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.442 -14.862 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.538 -15.984 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 51 125.046 -15.953 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 51 124.963 -14.814 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 125.558 -13.130 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 126.744 -14.022 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 125.115 -14.146 -4.592 1.00 0.00 H new ATOM 825 N LYS A 52 127.475 -17.544 2.596 1.00 0.00 N ATOM 826 CA LYS A 52 128.705 -18.058 3.202 1.00 0.00 C ATOM 827 C LYS A 52 128.398 -19.299 4.020 1.00 0.00 C ATOM 828 O LYS A 52 129.289 -20.126 4.280 1.00 0.00 O ATOM 829 CB LYS A 52 129.377 -17.015 4.108 1.00 0.00 C ATOM 830 CG LYS A 52 129.580 -15.667 3.457 1.00 0.00 C ATOM 831 CD LYS A 52 130.399 -14.711 4.311 1.00 0.00 C ATOM 832 CE LYS A 52 129.864 -14.558 5.725 1.00 0.00 C ATOM 833 NZ LYS A 52 130.708 -13.648 6.528 1.00 0.00 N ATOM 0 H LYS A 52 127.035 -16.785 3.116 1.00 0.00 H new ATOM 0 HA LYS A 52 129.392 -18.299 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.771 -16.885 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 52 130.345 -17.400 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.077 -15.805 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.608 -15.219 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 52 131.428 -15.066 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 52 130.420 -13.733 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 52 128.844 -14.174 5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.820 -15.535 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.315 -13.566 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 131.675 -14.028 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 130.729 -12.709 6.081 1.00 0.00 H new ATOM 847 N SER A 53 127.150 -19.423 4.426 1.00 0.00 N ATOM 848 CA SER A 53 126.697 -20.544 5.197 1.00 0.00 C ATOM 849 C SER A 53 126.647 -21.776 4.297 1.00 0.00 C ATOM 850 O SER A 53 126.069 -21.749 3.227 1.00 0.00 O ATOM 851 CB SER A 53 125.319 -20.227 5.777 1.00 0.00 C ATOM 852 OG SER A 53 125.352 -18.988 6.489 1.00 0.00 O ATOM 0 H SER A 53 126.422 -18.738 4.224 1.00 0.00 H new ATOM 0 HA SER A 53 127.380 -20.745 6.022 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.583 -20.173 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.005 -21.029 6.445 1.00 0.00 H new ATOM 0 HG SER A 53 124.463 -18.796 6.854 1.00 0.00 H new ATOM 858 N LYS A 54 127.296 -22.822 4.708 1.00 0.00 N ATOM 859 CA LYS A 54 127.372 -24.033 3.916 1.00 0.00 C ATOM 860 C LYS A 54 126.608 -25.153 4.582 1.00 0.00 C ATOM 861 O LYS A 54 126.679 -26.315 4.173 1.00 0.00 O ATOM 862 CB LYS A 54 128.846 -24.393 3.668 1.00 0.00 C ATOM 863 CG LYS A 54 129.692 -24.639 4.924 1.00 0.00 C ATOM 864 CD LYS A 54 129.728 -26.108 5.328 1.00 0.00 C ATOM 865 CE LYS A 54 130.407 -26.948 4.253 1.00 0.00 C ATOM 866 NZ LYS A 54 131.801 -26.504 4.005 1.00 0.00 N ATOM 0 H LYS A 54 127.790 -22.871 5.599 1.00 0.00 H new ATOM 0 HA LYS A 54 126.902 -23.869 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.883 -25.288 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.306 -23.588 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.709 -24.290 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.292 -24.049 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 54 130.261 -26.217 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.713 -26.470 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.408 -27.995 4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 54 129.835 -26.885 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 132.313 -27.244 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.792 -25.628 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 132.276 -26.329 4.913 1.00 0.00 H new ATOM 880 N GLY A 55 125.856 -24.789 5.582 1.00 0.00 N ATOM 881 CA GLY A 55 125.075 -25.740 6.301 1.00 0.00 C ATOM 882 C GLY A 55 123.677 -25.718 5.776 1.00 0.00 C ATOM 883 O GLY A 55 122.989 -24.713 5.931 1.00 0.00 O ATOM 0 H GLY A 55 125.771 -23.829 5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.502 -26.737 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 55 125.081 -25.505 7.365 1.00 0.00 H new ATOM 887 N PRO A 56 123.215 -26.803 5.152 1.00 0.00 N ATOM 888 CA PRO A 56 121.898 -26.851 4.512 1.00 0.00 C ATOM 889 C PRO A 56 120.745 -26.630 5.501 1.00 0.00 C ATOM 890 O PRO A 56 119.684 -26.107 5.132 1.00 0.00 O ATOM 891 CB PRO A 56 121.839 -28.246 3.885 1.00 0.00 C ATOM 892 CG PRO A 56 122.860 -29.045 4.615 1.00 0.00 C ATOM 893 CD PRO A 56 123.937 -28.082 5.014 1.00 0.00 C ATOM 0 HA PRO A 56 121.779 -26.051 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.846 -28.684 3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 56 122.058 -28.208 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.424 -29.527 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.261 -29.837 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 56 124.414 -28.377 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.722 -28.021 4.260 1.00 0.00 H new ATOM 901 N GLN A 57 120.968 -26.975 6.765 1.00 0.00 N ATOM 902 CA GLN A 57 119.957 -26.774 7.778 1.00 0.00 C ATOM 903 C GLN A 57 119.821 -25.300 8.083 1.00 0.00 C ATOM 904 O GLN A 57 118.729 -24.823 8.387 1.00 0.00 O ATOM 905 CB GLN A 57 120.197 -27.576 9.093 1.00 0.00 C ATOM 906 CG GLN A 57 121.375 -27.141 9.991 1.00 0.00 C ATOM 907 CD GLN A 57 122.766 -27.527 9.503 1.00 0.00 C ATOM 908 OE1 GLN A 57 123.035 -27.638 8.312 1.00 0.00 O ATOM 909 NE2 GLN A 57 123.659 -27.723 10.426 1.00 0.00 N ATOM 0 H GLN A 57 121.835 -27.392 7.103 1.00 0.00 H new ATOM 0 HA GLN A 57 119.029 -27.165 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 57 119.285 -27.526 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 57 120.347 -28.622 8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 57 121.339 -26.057 10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 57 121.228 -27.570 10.982 1.00 0.00 H new ATOM 0 HE21 GLN A 57 123.407 -27.624 11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 57 124.613 -27.976 10.167 1.00 0.00 H new ATOM 918 N GLN A 58 120.931 -24.567 7.948 1.00 0.00 N ATOM 919 CA GLN A 58 120.934 -23.142 8.222 1.00 0.00 C ATOM 920 C GLN A 58 120.130 -22.458 7.162 1.00 0.00 C ATOM 921 O GLN A 58 119.334 -21.597 7.454 1.00 0.00 O ATOM 922 CB GLN A 58 122.341 -22.526 8.168 1.00 0.00 C ATOM 923 CG GLN A 58 123.417 -23.190 8.998 1.00 0.00 C ATOM 924 CD GLN A 58 123.059 -23.365 10.455 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.300 -22.590 11.021 1.00 0.00 O ATOM 926 NE2 GLN A 58 123.630 -24.361 11.079 1.00 0.00 N ATOM 0 H GLN A 58 121.832 -24.943 7.651 1.00 0.00 H new ATOM 0 HA GLN A 58 120.529 -23.009 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.669 -22.523 7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.266 -21.485 8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.638 -24.168 8.570 1.00 0.00 H new ATOM 0 HG3 GLN A 58 124.330 -22.598 8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 124.257 -24.987 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 58 123.448 -24.513 12.071 1.00 0.00 H new ATOM 935 N ILE A 59 120.327 -22.914 5.931 1.00 0.00 N ATOM 936 CA ILE A 59 119.742 -22.325 4.729 1.00 0.00 C ATOM 937 C ILE A 59 118.243 -22.075 4.875 1.00 0.00 C ATOM 938 O ILE A 59 117.782 -20.984 4.650 1.00 0.00 O ATOM 939 CB ILE A 59 119.979 -23.213 3.481 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.466 -23.587 3.337 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.461 -22.530 2.224 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.434 -22.423 3.354 1.00 0.00 C ATOM 0 H ILE A 59 120.913 -23.725 5.734 1.00 0.00 H new ATOM 0 HA ILE A 59 120.247 -21.368 4.596 1.00 0.00 H new ATOM 0 HB ILE A 59 119.418 -24.138 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.731 -24.270 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.597 -24.133 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.639 -23.172 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.392 -22.345 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 59 119.981 -21.583 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.453 -22.795 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.205 -21.748 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.342 -21.887 4.299 1.00 0.00 H new ATOM 954 N HIS A 60 117.507 -23.082 5.300 1.00 0.00 N ATOM 955 CA HIS A 60 116.037 -22.958 5.427 1.00 0.00 C ATOM 956 C HIS A 60 115.652 -21.920 6.472 1.00 0.00 C ATOM 957 O HIS A 60 114.713 -21.142 6.285 1.00 0.00 O ATOM 958 CB HIS A 60 115.372 -24.303 5.771 1.00 0.00 C ATOM 959 CG HIS A 60 115.542 -25.358 4.724 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.551 -25.733 3.855 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.606 -26.115 4.415 1.00 0.00 C ATOM 962 CE1 HIS A 60 115.004 -26.673 3.057 1.00 0.00 C ATOM 963 NE2 HIS A 60 116.252 -26.918 3.376 1.00 0.00 N ATOM 0 H HIS A 60 117.881 -23.993 5.565 1.00 0.00 H new ATOM 0 HA HIS A 60 115.673 -22.632 4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.785 -24.670 6.711 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.307 -24.138 5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.569 -26.091 4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.444 -27.161 2.272 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.858 -27.599 2.919 1.00 0.00 H new ATOM 972 N LEU A 61 116.412 -21.879 7.532 1.00 0.00 N ATOM 973 CA LEU A 61 116.143 -21.001 8.655 1.00 0.00 C ATOM 974 C LEU A 61 116.544 -19.594 8.286 1.00 0.00 C ATOM 975 O LEU A 61 115.743 -18.665 8.339 1.00 0.00 O ATOM 976 CB LEU A 61 116.982 -21.450 9.826 1.00 0.00 C ATOM 977 CG LEU A 61 116.956 -22.931 10.120 1.00 0.00 C ATOM 978 CD1 LEU A 61 117.984 -23.249 11.160 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.575 -23.378 10.556 1.00 0.00 C ATOM 0 H LEU A 61 117.245 -22.456 7.649 1.00 0.00 H new ATOM 0 HA LEU A 61 115.084 -21.032 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.015 -21.152 9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.647 -20.916 10.715 1.00 0.00 H new ATOM 0 HG LEU A 61 117.196 -23.479 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 61 117.967 -24.318 11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.971 -22.968 10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.764 -22.693 12.071 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.587 -24.449 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.286 -22.839 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.857 -23.168 9.763 1.00 0.00 H new ATOM 991 N LYS A 62 117.796 -19.467 7.925 1.00 0.00 N ATOM 992 CA LYS A 62 118.400 -18.214 7.496 1.00 0.00 C ATOM 993 C LYS A 62 117.636 -17.560 6.337 1.00 0.00 C ATOM 994 O LYS A 62 117.326 -16.375 6.404 1.00 0.00 O ATOM 995 CB LYS A 62 119.879 -18.432 7.125 1.00 0.00 C ATOM 996 CG LYS A 62 120.806 -18.675 8.315 1.00 0.00 C ATOM 997 CD LYS A 62 121.005 -17.391 9.112 1.00 0.00 C ATOM 998 CE LYS A 62 121.907 -17.612 10.308 1.00 0.00 C ATOM 999 NZ LYS A 62 122.255 -16.354 10.998 1.00 0.00 N ATOM 0 H LYS A 62 118.449 -20.251 7.919 1.00 0.00 H new ATOM 0 HA LYS A 62 118.343 -17.523 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.948 -19.284 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.235 -17.559 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.385 -19.447 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.769 -19.044 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.436 -16.625 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 62 120.038 -17.017 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.414 -18.283 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.821 -18.108 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.873 -16.562 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.750 -15.721 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.387 -15.891 11.335 1.00 0.00 H new ATOM 1013 N ALA A 63 117.306 -18.335 5.298 1.00 0.00 N ATOM 1014 CA ALA A 63 116.598 -17.790 4.137 1.00 0.00 C ATOM 1015 C ALA A 63 115.252 -17.258 4.528 1.00 0.00 C ATOM 1016 O ALA A 63 114.918 -16.130 4.210 1.00 0.00 O ATOM 1017 CB ALA A 63 116.432 -18.819 3.024 1.00 0.00 C ATOM 0 H ALA A 63 117.516 -19.331 5.238 1.00 0.00 H new ATOM 0 HA ALA A 63 117.214 -16.975 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.901 -18.366 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.414 -19.157 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.862 -19.670 3.397 1.00 0.00 H new ATOM 1023 N LYS A 64 114.489 -18.053 5.254 1.00 0.00 N ATOM 1024 CA LYS A 64 113.152 -17.638 5.636 1.00 0.00 C ATOM 1025 C LYS A 64 113.206 -16.417 6.566 1.00 0.00 C ATOM 1026 O LYS A 64 112.370 -15.517 6.466 1.00 0.00 O ATOM 1027 CB LYS A 64 112.375 -18.793 6.271 1.00 0.00 C ATOM 1028 CG LYS A 64 110.874 -18.556 6.356 1.00 0.00 C ATOM 1029 CD LYS A 64 110.297 -18.331 4.963 1.00 0.00 C ATOM 1030 CE LYS A 64 108.794 -18.132 4.983 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.067 -19.334 5.437 1.00 0.00 N ATOM 0 H LYS A 64 114.766 -18.976 5.587 1.00 0.00 H new ATOM 0 HA LYS A 64 112.617 -17.345 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.557 -19.700 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.762 -18.970 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.389 -19.413 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.670 -17.690 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.770 -17.458 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.539 -19.185 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.551 -17.296 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.454 -17.862 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.047 -19.199 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.390 -20.161 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.252 -19.490 6.448 1.00 0.00 H new ATOM 1045 N ALA A 65 114.222 -16.373 7.414 1.00 0.00 N ATOM 1046 CA ALA A 65 114.427 -15.265 8.329 1.00 0.00 C ATOM 1047 C ALA A 65 114.705 -13.970 7.566 1.00 0.00 C ATOM 1048 O ALA A 65 114.082 -12.939 7.831 1.00 0.00 O ATOM 1049 CB ALA A 65 115.573 -15.569 9.272 1.00 0.00 C ATOM 0 H ALA A 65 114.927 -17.106 7.486 1.00 0.00 H new ATOM 0 HA ALA A 65 113.514 -15.131 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.716 -14.730 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.344 -16.467 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.485 -15.729 8.697 1.00 0.00 H new ATOM 1055 N ILE A 66 115.628 -14.031 6.617 1.00 0.00 N ATOM 1056 CA ILE A 66 115.986 -12.869 5.801 1.00 0.00 C ATOM 1057 C ILE A 66 114.802 -12.471 4.915 1.00 0.00 C ATOM 1058 O ILE A 66 114.499 -11.282 4.743 1.00 0.00 O ATOM 1059 CB ILE A 66 117.256 -13.150 4.946 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.446 -13.463 5.877 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.569 -11.976 4.012 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.740 -13.811 5.168 1.00 0.00 C ATOM 0 H ILE A 66 116.149 -14.878 6.388 1.00 0.00 H new ATOM 0 HA ILE A 66 116.221 -12.037 6.465 1.00 0.00 H new ATOM 0 HB ILE A 66 117.070 -14.017 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.622 -12.600 6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.171 -14.294 6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.461 -12.203 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.727 -11.812 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.741 -11.077 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.516 -14.014 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.589 -14.694 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 66 120.047 -12.975 4.540 1.00 0.00 H new ATOM 1074 N TYR A 67 114.122 -13.476 4.397 1.00 0.00 N ATOM 1075 CA TYR A 67 112.920 -13.297 3.609 1.00 0.00 C ATOM 1076 C TYR A 67 111.892 -12.477 4.389 1.00 0.00 C ATOM 1077 O TYR A 67 111.543 -11.389 3.986 1.00 0.00 O ATOM 1078 CB TYR A 67 112.332 -14.675 3.252 1.00 0.00 C ATOM 1079 CG TYR A 67 111.000 -14.614 2.563 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.906 -14.350 1.217 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.832 -14.802 3.277 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.685 -14.269 0.598 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.612 -14.724 2.677 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.530 -14.453 1.345 1.00 0.00 C ATOM 1085 OH TYR A 67 107.288 -14.388 0.753 1.00 0.00 O ATOM 0 H TYR A 67 114.394 -14.452 4.514 1.00 0.00 H new ATOM 0 HA TYR A 67 113.170 -12.761 2.694 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.037 -15.203 2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.230 -15.262 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.807 -14.204 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.888 -15.016 4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.623 -14.064 -0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.713 -14.877 3.255 1.00 0.00 H new ATOM 0 HH TYR A 67 106.595 -14.542 1.429 1.00 0.00 H new ATOM 1095 N GLU A 68 111.487 -12.960 5.541 1.00 0.00 N ATOM 1096 CA GLU A 68 110.411 -12.325 6.291 1.00 0.00 C ATOM 1097 C GLU A 68 110.807 -11.002 6.936 1.00 0.00 C ATOM 1098 O GLU A 68 109.943 -10.214 7.335 1.00 0.00 O ATOM 1099 CB GLU A 68 109.823 -13.273 7.309 1.00 0.00 C ATOM 1100 CG GLU A 68 109.248 -14.528 6.688 1.00 0.00 C ATOM 1101 CD GLU A 68 108.465 -15.356 7.657 1.00 0.00 C ATOM 1102 OE1 GLU A 68 109.056 -16.068 8.477 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.221 -15.319 7.604 1.00 0.00 O ATOM 0 H GLU A 68 111.882 -13.789 5.985 1.00 0.00 H new ATOM 0 HA GLU A 68 109.644 -12.079 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.595 -13.551 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.040 -12.759 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.605 -14.251 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 68 110.060 -15.129 6.279 1.00 0.00 H new ATOM 1110 N LYS A 69 112.078 -10.760 7.025 1.00 0.00 N ATOM 1111 CA LYS A 69 112.589 -9.535 7.602 1.00 0.00 C ATOM 1112 C LYS A 69 112.747 -8.451 6.518 1.00 0.00 C ATOM 1113 O LYS A 69 112.651 -7.247 6.806 1.00 0.00 O ATOM 1114 CB LYS A 69 113.929 -9.846 8.297 1.00 0.00 C ATOM 1115 CG LYS A 69 114.577 -8.718 9.091 1.00 0.00 C ATOM 1116 CD LYS A 69 115.761 -9.272 9.886 1.00 0.00 C ATOM 1117 CE LYS A 69 116.435 -8.235 10.781 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.160 -7.201 10.024 1.00 0.00 N ATOM 0 H LYS A 69 112.801 -11.403 6.701 1.00 0.00 H new ATOM 0 HA LYS A 69 111.888 -9.144 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.773 -10.688 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.637 -10.174 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.914 -7.931 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.849 -8.269 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.417 -10.103 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.498 -9.674 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 69 115.680 -7.757 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 69 117.130 -8.740 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 118.166 -7.218 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.066 -7.387 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 116.761 -6.266 10.243 1.00 0.00 H new ATOM 1132 N PHE A 70 112.885 -8.878 5.264 1.00 0.00 N ATOM 1133 CA PHE A 70 113.201 -7.955 4.184 1.00 0.00 C ATOM 1134 C PHE A 70 112.346 -8.195 2.947 1.00 0.00 C ATOM 1135 O PHE A 70 111.590 -7.338 2.525 1.00 0.00 O ATOM 1136 CB PHE A 70 114.682 -8.073 3.781 1.00 0.00 C ATOM 1137 CG PHE A 70 115.680 -7.602 4.797 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.857 -6.247 5.037 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.454 -8.509 5.498 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.784 -5.808 5.956 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.383 -8.076 6.417 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.549 -6.722 6.647 1.00 0.00 C ATOM 0 H PHE A 70 112.783 -9.851 4.975 1.00 0.00 H new ATOM 0 HA PHE A 70 112.990 -6.956 4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.893 -9.117 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.834 -7.507 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 70 115.260 -5.527 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.328 -9.567 5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.911 -4.750 6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.982 -8.793 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.278 -6.382 7.368 1.00 0.00 H new ATOM 1152 N ILE A 71 112.483 -9.368 2.382 1.00 0.00 N ATOM 1153 CA ILE A 71 111.820 -9.753 1.126 1.00 0.00 C ATOM 1154 C ILE A 71 110.297 -9.779 1.263 1.00 0.00 C ATOM 1155 O ILE A 71 109.566 -9.577 0.284 1.00 0.00 O ATOM 1156 CB ILE A 71 112.362 -11.136 0.636 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.868 -11.066 0.454 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.696 -11.623 -0.659 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.300 -10.026 -0.546 1.00 0.00 C ATOM 0 H ILE A 71 113.065 -10.107 2.776 1.00 0.00 H new ATOM 0 HA ILE A 71 112.056 -8.995 0.379 1.00 0.00 H new ATOM 0 HB ILE A 71 112.111 -11.864 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 71 114.333 -10.851 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 71 114.234 -12.042 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 71 112.117 -12.587 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.623 -11.729 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.875 -10.899 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.387 -10.029 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.863 -10.252 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.964 -9.043 -0.217 1.00 0.00 H new ATOM 1171 N GLN A 72 109.831 -9.991 2.470 1.00 0.00 N ATOM 1172 CA GLN A 72 108.417 -10.021 2.722 1.00 0.00 C ATOM 1173 C GLN A 72 107.838 -8.625 2.544 1.00 0.00 C ATOM 1174 O GLN A 72 108.482 -7.629 2.873 1.00 0.00 O ATOM 1175 CB GLN A 72 108.121 -10.542 4.128 1.00 0.00 C ATOM 1176 CG GLN A 72 106.639 -10.720 4.404 1.00 0.00 C ATOM 1177 CD GLN A 72 106.006 -11.743 3.491 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.543 -11.417 2.401 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.949 -12.954 3.933 1.00 0.00 N ATOM 0 H GLN A 72 110.414 -10.145 3.292 1.00 0.00 H new ATOM 0 HA GLN A 72 107.951 -10.700 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.627 -11.498 4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.539 -9.850 4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.499 -11.025 5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 72 106.131 -9.763 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 72 106.346 -13.184 4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.507 -13.682 3.371 1.00 0.00 H new ATOM 1188 N THR A 73 106.661 -8.551 2.007 1.00 0.00 N ATOM 1189 CA THR A 73 106.014 -7.292 1.796 1.00 0.00 C ATOM 1190 C THR A 73 105.497 -6.755 3.135 1.00 0.00 C ATOM 1191 O THR A 73 105.689 -5.589 3.470 1.00 0.00 O ATOM 1192 CB THR A 73 104.910 -7.448 0.750 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.519 -7.969 -0.453 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.251 -6.120 0.448 1.00 0.00 C ATOM 0 H THR A 73 106.121 -9.361 1.702 1.00 0.00 H new ATOM 0 HA THR A 73 106.719 -6.559 1.405 1.00 0.00 H new ATOM 0 HB THR A 73 104.141 -8.121 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.833 -8.082 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.470 -6.263 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.811 -5.716 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.996 -5.423 0.065 1.00 0.00 H new ATOM 1202 N ASP A 74 104.873 -7.615 3.904 1.00 0.00 N ATOM 1203 CA ASP A 74 104.518 -7.275 5.273 1.00 0.00 C ATOM 1204 C ASP A 74 105.660 -7.676 6.176 1.00 0.00 C ATOM 1205 O ASP A 74 105.594 -8.676 6.907 1.00 0.00 O ATOM 1206 CB ASP A 74 103.216 -7.942 5.752 1.00 0.00 C ATOM 1207 CG ASP A 74 101.982 -7.456 5.040 1.00 0.00 C ATOM 1208 OD1 ASP A 74 101.366 -6.459 5.491 1.00 0.00 O ATOM 1209 OD2 ASP A 74 101.584 -8.071 4.032 1.00 0.00 O ATOM 0 H ASP A 74 104.599 -8.553 3.613 1.00 0.00 H new ATOM 0 HA ASP A 74 104.340 -6.200 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 74 103.301 -9.020 5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.100 -7.764 6.821 1.00 0.00 H new ATOM 1214 N ALA A 75 106.736 -6.973 6.058 1.00 0.00 N ATOM 1215 CA ALA A 75 107.909 -7.237 6.842 1.00 0.00 C ATOM 1216 C ALA A 75 108.098 -6.107 7.804 1.00 0.00 C ATOM 1217 O ALA A 75 107.562 -5.020 7.577 1.00 0.00 O ATOM 1218 CB ALA A 75 109.126 -7.360 5.946 1.00 0.00 C ATOM 0 H ALA A 75 106.833 -6.191 5.411 1.00 0.00 H new ATOM 0 HA ALA A 75 107.787 -8.176 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 75 110.008 -7.560 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.978 -8.179 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.269 -6.430 5.396 1.00 0.00 H new ATOM 1224 N PRO A 76 108.838 -6.331 8.902 1.00 0.00 N ATOM 1225 CA PRO A 76 109.132 -5.277 9.868 1.00 0.00 C ATOM 1226 C PRO A 76 109.986 -4.188 9.236 1.00 0.00 C ATOM 1227 O PRO A 76 109.901 -3.025 9.600 1.00 0.00 O ATOM 1228 CB PRO A 76 109.914 -5.996 10.973 1.00 0.00 C ATOM 1229 CG PRO A 76 110.430 -7.242 10.341 1.00 0.00 C ATOM 1230 CD PRO A 76 109.421 -7.629 9.311 1.00 0.00 C ATOM 0 HA PRO A 76 108.232 -4.785 10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.730 -5.376 11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.273 -6.223 11.825 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.406 -7.074 9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.555 -8.032 11.081 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.883 -8.146 8.470 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.665 -8.299 9.720 1.00 0.00 H new ATOM 1238 N LYS A 77 110.791 -4.573 8.272 1.00 0.00 N ATOM 1239 CA LYS A 77 111.626 -3.625 7.600 1.00 0.00 C ATOM 1240 C LYS A 77 111.194 -3.485 6.175 1.00 0.00 C ATOM 1241 O LYS A 77 110.989 -2.370 5.710 1.00 0.00 O ATOM 1242 CB LYS A 77 113.096 -4.032 7.643 1.00 0.00 C ATOM 1243 CG LYS A 77 114.086 -3.034 6.996 1.00 0.00 C ATOM 1244 CD LYS A 77 114.296 -1.729 7.806 1.00 0.00 C ATOM 1245 CE LYS A 77 113.080 -0.788 7.842 1.00 0.00 C ATOM 1246 NZ LYS A 77 112.667 -0.337 6.492 1.00 0.00 N ATOM 0 H LYS A 77 110.880 -5.534 7.942 1.00 0.00 H new ATOM 0 HA LYS A 77 111.522 -2.672 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.384 -4.178 8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.202 -4.996 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 115.049 -3.527 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 77 113.725 -2.776 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.564 -1.993 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.143 -1.189 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 77 112.245 -1.298 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 77 113.317 0.082 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 112.336 0.648 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 113.477 -0.398 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 111.898 -0.944 6.143 1.00 0.00 H new ATOM 1260 N GLU A 78 111.088 -4.637 5.502 1.00 0.00 N ATOM 1261 CA GLU A 78 110.739 -4.787 4.077 1.00 0.00 C ATOM 1262 C GLU A 78 111.769 -4.119 3.175 1.00 0.00 C ATOM 1263 O GLU A 78 112.703 -3.455 3.648 1.00 0.00 O ATOM 1264 CB GLU A 78 109.281 -4.371 3.709 1.00 0.00 C ATOM 1265 CG GLU A 78 108.991 -2.881 3.667 1.00 0.00 C ATOM 1266 CD GLU A 78 107.569 -2.591 3.345 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.222 -2.497 2.140 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.761 -2.452 4.281 1.00 0.00 O ATOM 0 H GLU A 78 111.251 -5.536 5.955 1.00 0.00 H new ATOM 0 HA GLU A 78 110.768 -5.861 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.042 -4.793 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.603 -4.830 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.241 -2.437 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 78 109.633 -2.409 2.923 1.00 0.00 H new ATOM 1275 N VAL A 79 111.635 -4.314 1.898 1.00 0.00 N ATOM 1276 CA VAL A 79 112.552 -3.756 0.943 1.00 0.00 C ATOM 1277 C VAL A 79 111.737 -3.193 -0.204 1.00 0.00 C ATOM 1278 O VAL A 79 110.663 -3.718 -0.523 1.00 0.00 O ATOM 1279 CB VAL A 79 113.550 -4.850 0.398 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.602 -4.263 -0.516 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.234 -5.583 1.523 1.00 0.00 C ATOM 0 H VAL A 79 110.884 -4.867 1.484 1.00 0.00 H new ATOM 0 HA VAL A 79 113.147 -2.978 1.422 1.00 0.00 H new ATOM 0 HB VAL A 79 112.942 -5.550 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.264 -5.055 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.119 -3.791 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.183 -3.518 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.914 -6.329 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.797 -4.874 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.486 -6.077 2.143 1.00 0.00 H new ATOM 1291 N ASN A 80 112.234 -2.144 -0.825 1.00 0.00 N ATOM 1292 CA ASN A 80 111.600 -1.526 -2.002 1.00 0.00 C ATOM 1293 C ASN A 80 112.064 -2.257 -3.265 1.00 0.00 C ATOM 1294 O ASN A 80 112.109 -1.693 -4.362 1.00 0.00 O ATOM 1295 CB ASN A 80 111.973 -0.032 -2.089 1.00 0.00 C ATOM 1296 CG ASN A 80 111.385 0.809 -0.963 1.00 0.00 C ATOM 1297 OD1 ASN A 80 110.284 1.346 -1.082 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.096 0.931 0.122 1.00 0.00 N ATOM 0 H ASN A 80 113.096 -1.682 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 80 110.517 -1.606 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.059 0.064 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 80 111.630 0.365 -3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 80 111.743 1.484 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.005 0.474 0.190 1.00 0.00 H new ATOM 1305 N LEU A 81 112.342 -3.529 -3.083 1.00 0.00 N ATOM 1306 CA LEU A 81 112.858 -4.438 -4.086 1.00 0.00 C ATOM 1307 C LEU A 81 111.873 -4.624 -5.229 1.00 0.00 C ATOM 1308 O LEU A 81 110.650 -4.563 -5.030 1.00 0.00 O ATOM 1309 CB LEU A 81 113.116 -5.793 -3.404 1.00 0.00 C ATOM 1310 CG LEU A 81 113.661 -6.941 -4.240 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.126 -6.729 -4.503 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.416 -8.274 -3.544 1.00 0.00 C ATOM 0 H LEU A 81 112.207 -3.984 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 81 113.775 -4.026 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.813 -5.622 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.177 -6.124 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 81 113.138 -6.965 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.511 -7.554 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.267 -5.792 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.663 -6.687 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.813 -9.083 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.915 -8.275 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.345 -8.419 -3.401 1.00 0.00 H new ATOM 1324 N ASP A 82 112.424 -4.825 -6.412 1.00 0.00 N ATOM 1325 CA ASP A 82 111.667 -5.129 -7.625 1.00 0.00 C ATOM 1326 C ASP A 82 110.687 -6.281 -7.401 1.00 0.00 C ATOM 1327 O ASP A 82 111.038 -7.299 -6.763 1.00 0.00 O ATOM 1328 CB ASP A 82 112.635 -5.479 -8.748 1.00 0.00 C ATOM 1329 CG ASP A 82 111.957 -6.069 -9.952 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.312 -5.327 -10.714 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.063 -7.299 -10.154 1.00 0.00 O ATOM 0 H ASP A 82 113.431 -4.782 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 82 111.085 -4.248 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.175 -4.580 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.376 -6.186 -8.373 1.00 0.00 H new ATOM 1336 N PHE A 83 109.476 -6.114 -7.924 1.00 0.00 N ATOM 1337 CA PHE A 83 108.395 -7.069 -7.747 1.00 0.00 C ATOM 1338 C PHE A 83 108.761 -8.451 -8.278 1.00 0.00 C ATOM 1339 O PHE A 83 108.634 -9.430 -7.559 1.00 0.00 O ATOM 1340 CB PHE A 83 107.101 -6.558 -8.400 1.00 0.00 C ATOM 1341 CG PHE A 83 105.899 -7.434 -8.146 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.174 -7.304 -6.975 1.00 0.00 C ATOM 1343 CD2 PHE A 83 105.497 -8.382 -9.075 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.074 -8.102 -6.735 1.00 0.00 C ATOM 1345 CE2 PHE A 83 104.400 -9.181 -8.839 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.686 -9.041 -7.667 1.00 0.00 C ATOM 0 H PHE A 83 109.218 -5.303 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 83 108.225 -7.169 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.891 -5.554 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.257 -6.475 -9.476 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.472 -6.570 -6.241 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.051 -8.495 -9.995 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.517 -7.991 -5.817 1.00 0.00 H new ATOM 0 HE2 PHE A 83 104.099 -9.916 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.825 -9.666 -7.480 1.00 0.00 H new ATOM 1356 N HIS A 84 109.250 -8.524 -9.509 1.00 0.00 N ATOM 1357 CA HIS A 84 109.613 -9.810 -10.113 1.00 0.00 C ATOM 1358 C HIS A 84 110.748 -10.485 -9.346 1.00 0.00 C ATOM 1359 O HIS A 84 110.780 -11.703 -9.234 1.00 0.00 O ATOM 1360 CB HIS A 84 109.952 -9.653 -11.610 1.00 0.00 C ATOM 1361 CG HIS A 84 110.437 -10.906 -12.299 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.667 -12.032 -12.481 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.636 -11.194 -12.848 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.371 -12.943 -13.112 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.561 -12.461 -13.344 1.00 0.00 N ATOM 0 H HIS A 84 109.406 -7.715 -10.111 1.00 0.00 H new ATOM 0 HA HIS A 84 108.743 -10.463 -10.045 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.064 -9.293 -12.130 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.716 -8.883 -11.713 1.00 0.00 H new ATOM 0 HD1 HIS A 84 108.701 -12.142 -12.174 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.496 -10.541 -12.887 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.023 -13.926 -13.392 1.00 0.00 H new ATOM 1374 N THR A 85 111.643 -9.700 -8.806 1.00 0.00 N ATOM 1375 CA THR A 85 112.728 -10.234 -8.041 1.00 0.00 C ATOM 1376 C THR A 85 112.217 -10.892 -6.749 1.00 0.00 C ATOM 1377 O THR A 85 112.531 -12.056 -6.485 1.00 0.00 O ATOM 1378 CB THR A 85 113.766 -9.156 -7.740 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.200 -8.569 -8.986 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.965 -9.753 -7.012 1.00 0.00 C ATOM 0 H THR A 85 111.637 -8.683 -8.885 1.00 0.00 H new ATOM 0 HA THR A 85 113.215 -11.006 -8.637 1.00 0.00 H new ATOM 0 HB THR A 85 113.318 -8.396 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.457 -8.073 -9.390 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.693 -8.969 -6.807 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.636 -10.198 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.424 -10.520 -7.635 1.00 0.00 H new ATOM 1388 N LYS A 86 111.394 -10.169 -5.965 1.00 0.00 N ATOM 1389 CA LYS A 86 110.824 -10.770 -4.754 1.00 0.00 C ATOM 1390 C LYS A 86 109.920 -11.933 -5.115 1.00 0.00 C ATOM 1391 O LYS A 86 109.862 -12.907 -4.399 1.00 0.00 O ATOM 1392 CB LYS A 86 110.091 -9.770 -3.823 1.00 0.00 C ATOM 1393 CG LYS A 86 108.919 -9.017 -4.434 1.00 0.00 C ATOM 1394 CD LYS A 86 108.026 -8.366 -3.367 1.00 0.00 C ATOM 1395 CE LYS A 86 108.782 -7.416 -2.436 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.865 -6.761 -1.465 1.00 0.00 N ATOM 0 H LYS A 86 111.119 -9.203 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 86 111.675 -11.130 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.730 -10.315 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.817 -9.040 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.296 -8.248 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 86 108.322 -9.703 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 86 107.225 -7.817 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.556 -9.148 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.551 -7.969 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 86 109.292 -6.655 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.388 -6.526 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.480 -5.891 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.085 -7.408 -1.233 1.00 0.00 H new ATOM 1410 N GLU A 87 109.249 -11.818 -6.251 1.00 0.00 N ATOM 1411 CA GLU A 87 108.407 -12.876 -6.801 1.00 0.00 C ATOM 1412 C GLU A 87 109.184 -14.187 -6.921 1.00 0.00 C ATOM 1413 O GLU A 87 108.743 -15.235 -6.412 1.00 0.00 O ATOM 1414 CB GLU A 87 107.876 -12.461 -8.171 1.00 0.00 C ATOM 1415 CG GLU A 87 107.169 -13.558 -8.929 1.00 0.00 C ATOM 1416 CD GLU A 87 106.741 -13.115 -10.288 1.00 0.00 C ATOM 1417 OE1 GLU A 87 107.589 -13.034 -11.200 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.546 -12.849 -10.472 1.00 0.00 O ATOM 0 H GLU A 87 109.273 -10.976 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 87 107.570 -13.034 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.188 -11.625 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.708 -12.099 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.831 -14.419 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.297 -13.885 -8.363 1.00 0.00 H new ATOM 1425 N VAL A 88 110.342 -14.134 -7.553 1.00 0.00 N ATOM 1426 CA VAL A 88 111.164 -15.323 -7.726 1.00 0.00 C ATOM 1427 C VAL A 88 111.553 -15.891 -6.367 1.00 0.00 C ATOM 1428 O VAL A 88 111.479 -17.111 -6.146 1.00 0.00 O ATOM 1429 CB VAL A 88 112.430 -15.046 -8.577 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.236 -16.320 -8.769 1.00 0.00 C ATOM 1431 CG2 VAL A 88 112.042 -14.476 -9.925 1.00 0.00 C ATOM 0 H VAL A 88 110.736 -13.284 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 88 110.567 -16.055 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 88 113.045 -14.319 -8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 88 114.120 -16.104 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.542 -16.707 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.624 -17.064 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.941 -14.286 -10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 88 111.408 -15.188 -10.452 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.498 -13.542 -9.782 1.00 0.00 H new ATOM 1441 N ILE A 89 111.890 -15.002 -5.447 1.00 0.00 N ATOM 1442 CA ILE A 89 112.242 -15.392 -4.097 1.00 0.00 C ATOM 1443 C ILE A 89 111.045 -16.051 -3.423 1.00 0.00 C ATOM 1444 O ILE A 89 111.173 -17.103 -2.879 1.00 0.00 O ATOM 1445 CB ILE A 89 112.705 -14.193 -3.243 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.824 -13.442 -3.959 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.178 -14.670 -1.859 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.236 -12.177 -3.264 1.00 0.00 C ATOM 0 H ILE A 89 111.926 -13.997 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 89 113.074 -16.093 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 89 111.862 -13.516 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.691 -14.097 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.500 -13.202 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.501 -13.812 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.358 -15.173 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 89 114.011 -15.363 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.035 -11.696 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.382 -11.503 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.591 -12.412 -2.261 1.00 0.00 H new ATOM 1460 N THR A 90 109.865 -15.446 -3.539 1.00 0.00 N ATOM 1461 CA THR A 90 108.654 -15.985 -2.912 1.00 0.00 C ATOM 1462 C THR A 90 108.288 -17.381 -3.458 1.00 0.00 C ATOM 1463 O THR A 90 107.530 -18.124 -2.845 1.00 0.00 O ATOM 1464 CB THR A 90 107.439 -15.008 -3.014 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.110 -14.725 -4.380 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.733 -13.700 -2.303 1.00 0.00 C ATOM 0 H THR A 90 109.719 -14.582 -4.061 1.00 0.00 H new ATOM 0 HA THR A 90 108.890 -16.095 -1.854 1.00 0.00 H new ATOM 0 HB THR A 90 106.593 -15.503 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.827 -15.050 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.872 -13.038 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.937 -13.896 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.602 -13.226 -2.759 1.00 0.00 H new ATOM 1474 N ASN A 91 108.823 -17.724 -4.609 1.00 0.00 N ATOM 1475 CA ASN A 91 108.632 -19.052 -5.166 1.00 0.00 C ATOM 1476 C ASN A 91 109.734 -19.993 -4.712 1.00 0.00 C ATOM 1477 O ASN A 91 109.473 -21.103 -4.284 1.00 0.00 O ATOM 1478 CB ASN A 91 108.578 -19.025 -6.700 1.00 0.00 C ATOM 1479 CG ASN A 91 107.265 -18.516 -7.261 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.347 -19.296 -7.515 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.159 -17.237 -7.473 1.00 0.00 N ATOM 0 H ASN A 91 109.395 -17.103 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 91 107.673 -19.416 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.388 -18.397 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.757 -20.032 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 91 106.297 -16.854 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.938 -16.617 -7.252 1.00 0.00 H new ATOM 1488 N SER A 92 110.956 -19.516 -4.742 1.00 0.00 N ATOM 1489 CA SER A 92 112.115 -20.339 -4.469 1.00 0.00 C ATOM 1490 C SER A 92 112.550 -20.250 -2.976 1.00 0.00 C ATOM 1491 O SER A 92 113.593 -20.758 -2.595 1.00 0.00 O ATOM 1492 CB SER A 92 113.255 -19.888 -5.415 1.00 0.00 C ATOM 1493 OG SER A 92 114.330 -20.807 -5.445 1.00 0.00 O ATOM 0 H SER A 92 111.177 -18.544 -4.957 1.00 0.00 H new ATOM 0 HA SER A 92 111.870 -21.385 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.859 -19.764 -6.423 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.623 -18.913 -5.096 1.00 0.00 H new ATOM 0 HG SER A 92 114.461 -21.187 -4.551 1.00 0.00 H new ATOM 1499 N ILE A 93 111.733 -19.644 -2.137 1.00 0.00 N ATOM 1500 CA ILE A 93 112.099 -19.477 -0.728 1.00 0.00 C ATOM 1501 C ILE A 93 111.664 -20.698 0.068 1.00 0.00 C ATOM 1502 O ILE A 93 112.251 -21.037 1.092 1.00 0.00 O ATOM 1503 CB ILE A 93 111.513 -18.157 -0.109 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.113 -17.877 1.271 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.992 -18.176 -0.039 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.598 -17.574 1.229 1.00 0.00 C ATOM 0 H ILE A 93 110.823 -19.261 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 93 113.184 -19.386 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 93 111.796 -17.346 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.590 -17.034 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.943 -18.740 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.636 -17.242 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.583 -18.288 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.667 -19.012 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.960 -17.385 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.131 -18.425 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.772 -16.693 0.611 1.00 0.00 H new ATOM 1518 N THR A 94 110.640 -21.364 -0.431 1.00 0.00 N ATOM 1519 CA THR A 94 110.150 -22.602 0.156 1.00 0.00 C ATOM 1520 C THR A 94 111.183 -23.732 -0.085 1.00 0.00 C ATOM 1521 O THR A 94 111.212 -24.744 0.615 1.00 0.00 O ATOM 1522 CB THR A 94 108.753 -22.972 -0.449 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.179 -24.120 0.187 1.00 0.00 O ATOM 1524 CG2 THR A 94 108.848 -23.211 -1.948 1.00 0.00 C ATOM 0 H THR A 94 110.122 -21.063 -1.256 1.00 0.00 H new ATOM 0 HA THR A 94 110.023 -22.472 1.231 1.00 0.00 H new ATOM 0 HB THR A 94 108.100 -22.119 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.308 -24.317 -0.218 1.00 0.00 H new ATOM 0 HG21 THR A 94 107.863 -23.466 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.210 -22.307 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 94 109.539 -24.031 -2.143 1.00 0.00 H new ATOM 1532 N GLN A 95 112.051 -23.518 -1.061 1.00 0.00 N ATOM 1533 CA GLN A 95 113.110 -24.447 -1.396 1.00 0.00 C ATOM 1534 C GLN A 95 114.389 -23.620 -1.559 1.00 0.00 C ATOM 1535 O GLN A 95 114.829 -23.360 -2.676 1.00 0.00 O ATOM 1536 CB GLN A 95 112.795 -25.195 -2.711 1.00 0.00 C ATOM 1537 CG GLN A 95 111.415 -25.842 -2.756 1.00 0.00 C ATOM 1538 CD GLN A 95 111.114 -26.496 -4.085 1.00 0.00 C ATOM 1539 OE1 GLN A 95 110.616 -25.842 -5.011 1.00 0.00 O ATOM 1540 NE2 GLN A 95 111.331 -27.778 -4.182 1.00 0.00 N ATOM 0 H GLN A 95 112.037 -22.684 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 95 113.218 -25.198 -0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 95 112.881 -24.495 -3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 95 113.549 -25.967 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 95 111.344 -26.589 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 95 110.658 -25.086 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.743 -28.286 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.089 -28.273 -5.040 1.00 0.00 H new ATOM 1549 N PRO A 96 114.953 -23.124 -0.451 1.00 0.00 N ATOM 1550 CA PRO A 96 116.093 -22.220 -0.497 1.00 0.00 C ATOM 1551 C PRO A 96 117.402 -22.900 -0.884 1.00 0.00 C ATOM 1552 O PRO A 96 117.572 -24.124 -0.727 1.00 0.00 O ATOM 1553 CB PRO A 96 116.157 -21.663 0.916 1.00 0.00 C ATOM 1554 CG PRO A 96 115.612 -22.757 1.759 1.00 0.00 C ATOM 1555 CD PRO A 96 114.535 -23.402 0.935 1.00 0.00 C ATOM 0 HA PRO A 96 115.965 -21.458 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.179 -21.412 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.566 -20.752 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.389 -23.475 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.210 -22.368 2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.469 -24.473 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.555 -22.978 1.152 1.00 0.00 H new ATOM 1563 N THR A 97 118.293 -22.100 -1.384 1.00 0.00 N ATOM 1564 CA THR A 97 119.588 -22.502 -1.835 1.00 0.00 C ATOM 1565 C THR A 97 120.582 -21.479 -1.334 1.00 0.00 C ATOM 1566 O THR A 97 120.233 -20.639 -0.527 1.00 0.00 O ATOM 1567 CB THR A 97 119.627 -22.525 -3.376 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.096 -21.292 -3.900 1.00 0.00 O ATOM 1569 CG2 THR A 97 118.861 -23.703 -3.924 1.00 0.00 C ATOM 0 H THR A 97 118.127 -21.100 -1.494 1.00 0.00 H new ATOM 0 HA THR A 97 119.824 -23.499 -1.462 1.00 0.00 H new ATOM 0 HB THR A 97 120.666 -22.628 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.125 -21.313 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 97 118.907 -23.692 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.301 -24.628 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.821 -23.641 -3.604 1.00 0.00 H new ATOM 1577 N LEU A 98 121.775 -21.498 -1.856 1.00 0.00 N ATOM 1578 CA LEU A 98 122.809 -20.560 -1.438 1.00 0.00 C ATOM 1579 C LEU A 98 122.644 -19.231 -2.173 1.00 0.00 C ATOM 1580 O LEU A 98 123.354 -18.258 -1.906 1.00 0.00 O ATOM 1581 CB LEU A 98 124.235 -21.118 -1.715 1.00 0.00 C ATOM 1582 CG LEU A 98 124.702 -22.367 -0.936 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.561 -22.163 0.544 1.00 0.00 C ATOM 1584 CD2 LEU A 98 123.994 -23.639 -1.383 1.00 0.00 C ATOM 0 H LEU A 98 122.069 -22.154 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 98 122.697 -20.410 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.300 -21.347 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.948 -20.318 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 98 125.759 -22.501 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 98 124.897 -23.058 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 125.168 -21.312 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 98 123.516 -21.971 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 98 124.362 -24.484 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 98 122.920 -23.532 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 98 124.192 -23.813 -2.441 1.00 0.00 H new ATOM 1596 N HIS A 99 121.727 -19.189 -3.126 1.00 0.00 N ATOM 1597 CA HIS A 99 121.551 -18.002 -3.941 1.00 0.00 C ATOM 1598 C HIS A 99 120.084 -17.605 -4.068 1.00 0.00 C ATOM 1599 O HIS A 99 119.686 -17.007 -5.062 1.00 0.00 O ATOM 1600 CB HIS A 99 122.207 -18.190 -5.337 1.00 0.00 C ATOM 1601 CG HIS A 99 123.708 -18.286 -5.289 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.530 -17.186 -5.322 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.528 -19.351 -5.121 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.774 -17.562 -5.158 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.807 -18.867 -5.037 1.00 0.00 N ATOM 0 H HIS A 99 121.097 -19.959 -3.352 1.00 0.00 H new ATOM 0 HA HIS A 99 122.057 -17.181 -3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 99 121.808 -19.094 -5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 99 121.925 -17.354 -5.977 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.219 -16.224 -5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.230 -20.387 -5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.631 -16.905 -5.127 1.00 0.00 H new ATOM 1614 N SER A 100 119.299 -17.875 -3.033 1.00 0.00 N ATOM 1615 CA SER A 100 117.871 -17.527 -3.024 1.00 0.00 C ATOM 1616 C SER A 100 117.621 -15.996 -3.166 1.00 0.00 C ATOM 1617 O SER A 100 116.644 -15.572 -3.784 1.00 0.00 O ATOM 1618 CB SER A 100 117.217 -18.083 -1.747 1.00 0.00 C ATOM 1619 OG SER A 100 117.426 -19.479 -1.686 1.00 0.00 O ATOM 0 H SER A 100 119.622 -18.336 -2.182 1.00 0.00 H new ATOM 0 HA SER A 100 117.410 -17.986 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.643 -17.601 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.149 -17.863 -1.746 1.00 0.00 H new ATOM 0 HG SER A 100 117.023 -19.905 -2.471 1.00 0.00 H new ATOM 1625 N PHE A 101 118.531 -15.190 -2.638 1.00 0.00 N ATOM 1626 CA PHE A 101 118.383 -13.719 -2.668 1.00 0.00 C ATOM 1627 C PHE A 101 119.400 -13.094 -3.623 1.00 0.00 C ATOM 1628 O PHE A 101 119.666 -11.889 -3.566 1.00 0.00 O ATOM 1629 CB PHE A 101 118.648 -13.144 -1.275 1.00 0.00 C ATOM 1630 CG PHE A 101 117.865 -13.771 -0.170 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.573 -13.377 0.094 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.437 -14.757 0.617 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.861 -13.955 1.118 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.728 -15.334 1.639 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.441 -14.931 1.888 1.00 0.00 C ATOM 0 H PHE A 101 119.383 -15.517 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 101 117.369 -13.492 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.710 -13.249 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.430 -12.076 -1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.115 -12.607 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.451 -15.074 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.847 -13.641 1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.182 -16.103 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.882 -15.384 2.693 1.00 0.00 H new ATOM 1645 N ASP A 102 119.909 -13.884 -4.535 1.00 0.00 N ATOM 1646 CA ASP A 102 121.033 -13.456 -5.366 1.00 0.00 C ATOM 1647 C ASP A 102 120.633 -12.375 -6.374 1.00 0.00 C ATOM 1648 O ASP A 102 121.394 -11.437 -6.620 1.00 0.00 O ATOM 1649 CB ASP A 102 121.654 -14.640 -6.080 1.00 0.00 C ATOM 1650 CG ASP A 102 123.061 -14.367 -6.533 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.993 -14.642 -5.745 1.00 0.00 O ATOM 1652 OD2 ASP A 102 123.272 -13.919 -7.681 1.00 0.00 O ATOM 0 H ASP A 102 119.572 -14.827 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 102 121.773 -13.017 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.651 -15.503 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.042 -14.901 -6.943 1.00 0.00 H new ATOM 1657 N ALA A 103 119.434 -12.484 -6.924 1.00 0.00 N ATOM 1658 CA ALA A 103 118.948 -11.492 -7.888 1.00 0.00 C ATOM 1659 C ALA A 103 118.629 -10.188 -7.177 1.00 0.00 C ATOM 1660 O ALA A 103 118.819 -9.082 -7.708 1.00 0.00 O ATOM 1661 CB ALA A 103 117.704 -12.003 -8.612 1.00 0.00 C ATOM 0 H ALA A 103 118.779 -13.241 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 103 119.732 -11.319 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.361 -11.250 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.946 -12.922 -9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.916 -12.202 -7.885 1.00 0.00 H new ATOM 1667 N ALA A 104 118.203 -10.328 -5.938 1.00 0.00 N ATOM 1668 CA ALA A 104 117.786 -9.206 -5.140 1.00 0.00 C ATOM 1669 C ALA A 104 118.970 -8.381 -4.686 1.00 0.00 C ATOM 1670 O ALA A 104 118.836 -7.181 -4.444 1.00 0.00 O ATOM 1671 CB ALA A 104 116.926 -9.668 -3.989 1.00 0.00 C ATOM 0 H ALA A 104 118.138 -11.227 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 104 117.175 -8.548 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.619 -8.807 -3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.042 -10.175 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.495 -10.356 -3.363 1.00 0.00 H new ATOM 1677 N GLN A 105 120.129 -9.027 -4.615 1.00 0.00 N ATOM 1678 CA GLN A 105 121.394 -8.365 -4.311 1.00 0.00 C ATOM 1679 C GLN A 105 121.598 -7.215 -5.307 1.00 0.00 C ATOM 1680 O GLN A 105 121.849 -6.063 -4.927 1.00 0.00 O ATOM 1681 CB GLN A 105 122.535 -9.360 -4.499 1.00 0.00 C ATOM 1682 CG GLN A 105 123.909 -8.804 -4.190 1.00 0.00 C ATOM 1683 CD GLN A 105 124.993 -9.521 -4.954 1.00 0.00 C ATOM 1684 OE1 GLN A 105 125.347 -9.120 -6.047 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.510 -10.570 -4.424 1.00 0.00 N ATOM 0 H GLN A 105 120.218 -10.032 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 105 121.379 -7.993 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.355 -10.225 -3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.524 -9.716 -5.529 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.934 -7.742 -4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.102 -8.889 -3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.196 -10.885 -3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 105 126.235 -11.088 -4.921 1.00 0.00 H new ATOM 1694 N SER A 106 121.437 -7.550 -6.579 1.00 0.00 N ATOM 1695 CA SER A 106 121.604 -6.630 -7.673 1.00 0.00 C ATOM 1696 C SER A 106 120.575 -5.513 -7.596 1.00 0.00 C ATOM 1697 O SER A 106 120.920 -4.327 -7.703 1.00 0.00 O ATOM 1698 CB SER A 106 121.430 -7.399 -8.965 1.00 0.00 C ATOM 1699 OG SER A 106 122.231 -8.575 -8.938 1.00 0.00 O ATOM 0 H SER A 106 121.181 -8.492 -6.876 1.00 0.00 H new ATOM 0 HA SER A 106 122.595 -6.179 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.382 -7.665 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.714 -6.774 -9.812 1.00 0.00 H new ATOM 0 HG SER A 106 122.114 -9.070 -9.776 1.00 0.00 H new ATOM 1705 N ARG A 107 119.321 -5.895 -7.352 1.00 0.00 N ATOM 1706 CA ARG A 107 118.233 -4.939 -7.279 1.00 0.00 C ATOM 1707 C ARG A 107 118.433 -3.936 -6.175 1.00 0.00 C ATOM 1708 O ARG A 107 118.147 -2.770 -6.349 1.00 0.00 O ATOM 1709 CB ARG A 107 116.886 -5.614 -7.128 1.00 0.00 C ATOM 1710 CG ARG A 107 116.433 -6.429 -8.321 1.00 0.00 C ATOM 1711 CD ARG A 107 116.439 -5.612 -9.616 1.00 0.00 C ATOM 1712 NE ARG A 107 115.702 -4.338 -9.496 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.215 -3.623 -10.528 1.00 0.00 C ATOM 1714 NH1 ARG A 107 115.152 -4.160 -11.747 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.755 -2.382 -10.314 1.00 0.00 N ATOM 0 H ARG A 107 119.040 -6.864 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 107 118.241 -4.406 -8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.921 -6.266 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.136 -4.850 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.086 -7.294 -8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.428 -6.810 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 107 117.470 -5.404 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 107 115.999 -6.206 -10.417 1.00 0.00 H new ATOM 0 HE ARG A 107 115.550 -3.970 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 107 115.473 -5.116 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 107 114.782 -3.615 -12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.775 -1.985 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.385 -1.834 -11.091 1.00 0.00 H new ATOM 1729 N VAL A 108 118.948 -4.378 -5.065 1.00 0.00 N ATOM 1730 CA VAL A 108 119.171 -3.493 -3.953 1.00 0.00 C ATOM 1731 C VAL A 108 120.401 -2.621 -4.162 1.00 0.00 C ATOM 1732 O VAL A 108 120.395 -1.435 -3.801 1.00 0.00 O ATOM 1733 CB VAL A 108 119.212 -4.256 -2.627 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.577 -3.335 -1.490 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.846 -4.849 -2.384 1.00 0.00 C ATOM 0 H VAL A 108 119.223 -5.347 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 108 118.319 -2.815 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 108 119.967 -5.040 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.600 -3.899 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.559 -2.900 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.836 -2.539 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.850 -5.399 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.106 -4.050 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.593 -5.527 -3.199 1.00 0.00 H new ATOM 1745 N TYR A 109 121.436 -3.194 -4.762 1.00 0.00 N ATOM 1746 CA TYR A 109 122.631 -2.444 -5.127 1.00 0.00 C ATOM 1747 C TYR A 109 122.246 -1.213 -5.964 1.00 0.00 C ATOM 1748 O TYR A 109 122.569 -0.084 -5.602 1.00 0.00 O ATOM 1749 CB TYR A 109 123.645 -3.373 -5.879 1.00 0.00 C ATOM 1750 CG TYR A 109 124.698 -2.656 -6.740 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.366 -2.168 -8.001 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.991 -2.446 -6.288 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.264 -1.500 -8.777 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.916 -1.761 -7.067 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.546 -1.289 -8.312 1.00 0.00 C ATOM 1756 OH TYR A 109 127.448 -0.569 -9.079 1.00 0.00 O ATOM 0 H TYR A 109 121.472 -4.183 -5.008 1.00 0.00 H new ATOM 0 HA TYR A 109 123.125 -2.086 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.163 -3.986 -5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.081 -4.052 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.365 -2.324 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.284 -2.819 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.974 -1.137 -9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.919 -1.598 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 109 127.025 0.258 -9.391 1.00 0.00 H new ATOM 1766 N GLN A 110 121.490 -1.439 -7.029 1.00 0.00 N ATOM 1767 CA GLN A 110 121.113 -0.370 -7.951 1.00 0.00 C ATOM 1768 C GLN A 110 120.106 0.580 -7.306 1.00 0.00 C ATOM 1769 O GLN A 110 120.138 1.790 -7.544 1.00 0.00 O ATOM 1770 CB GLN A 110 120.566 -0.954 -9.260 1.00 0.00 C ATOM 1771 CG GLN A 110 119.404 -1.898 -9.057 1.00 0.00 C ATOM 1772 CD GLN A 110 118.817 -2.436 -10.335 1.00 0.00 C ATOM 1773 OE1 GLN A 110 119.221 -3.491 -10.823 1.00 0.00 O ATOM 1774 NE2 GLN A 110 117.894 -1.722 -10.909 1.00 0.00 N ATOM 0 H GLN A 110 121.123 -2.357 -7.279 1.00 0.00 H new ATOM 0 HA GLN A 110 122.007 0.208 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.252 -0.137 -9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.368 -1.482 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.733 -2.735 -8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.622 -1.380 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.581 -0.852 -10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 110 117.483 -2.032 -11.790 1.00 0.00 H new ATOM 1783 N LEU A 111 119.258 0.014 -6.452 1.00 0.00 N ATOM 1784 CA LEU A 111 118.222 0.727 -5.715 1.00 0.00 C ATOM 1785 C LEU A 111 118.834 1.879 -4.923 1.00 0.00 C ATOM 1786 O LEU A 111 118.407 3.035 -5.044 1.00 0.00 O ATOM 1787 CB LEU A 111 117.548 -0.272 -4.771 1.00 0.00 C ATOM 1788 CG LEU A 111 116.394 0.203 -3.915 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.240 0.670 -4.785 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.956 -0.930 -3.002 1.00 0.00 C ATOM 0 H LEU A 111 119.274 -0.985 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 111 117.489 1.149 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.191 -1.107 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.315 -0.665 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 111 116.716 1.050 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 111 114.420 1.008 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 111 115.572 1.493 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 111 114.899 -0.155 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.124 -0.596 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 111 115.640 -1.782 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 111 116.789 -1.226 -2.364 1.00 0.00 H new ATOM 1802 N MET A 112 119.861 1.568 -4.155 1.00 0.00 N ATOM 1803 CA MET A 112 120.542 2.584 -3.370 1.00 0.00 C ATOM 1804 C MET A 112 121.567 3.347 -4.200 1.00 0.00 C ATOM 1805 O MET A 112 121.906 4.463 -3.869 1.00 0.00 O ATOM 1806 CB MET A 112 121.165 2.011 -2.083 1.00 0.00 C ATOM 1807 CG MET A 112 122.020 0.787 -2.300 1.00 0.00 C ATOM 1808 SD MET A 112 122.736 0.135 -0.792 1.00 0.00 S ATOM 1809 CE MET A 112 123.268 -1.462 -1.377 1.00 0.00 C ATOM 0 H MET A 112 120.241 0.627 -4.057 1.00 0.00 H new ATOM 0 HA MET A 112 119.780 3.298 -3.058 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.771 2.784 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 112 120.365 1.762 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.416 0.011 -2.771 1.00 0.00 H new ATOM 0 HG3 MET A 112 122.822 1.033 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.236 -2.179 -0.557 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.606 -1.796 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.287 -1.389 -1.756 1.00 0.00 H new ATOM 1819 N GLU A 113 122.033 2.756 -5.292 1.00 0.00 N ATOM 1820 CA GLU A 113 122.990 3.424 -6.176 1.00 0.00 C ATOM 1821 C GLU A 113 122.365 4.696 -6.767 1.00 0.00 C ATOM 1822 O GLU A 113 122.840 5.812 -6.521 1.00 0.00 O ATOM 1823 CB GLU A 113 123.452 2.480 -7.310 1.00 0.00 C ATOM 1824 CG GLU A 113 124.518 3.077 -8.240 1.00 0.00 C ATOM 1825 CD GLU A 113 125.033 2.102 -9.289 1.00 0.00 C ATOM 1826 OE1 GLU A 113 124.237 1.607 -10.099 1.00 0.00 O ATOM 1827 OE2 GLU A 113 126.255 1.815 -9.322 1.00 0.00 O ATOM 0 H GLU A 113 121.767 1.817 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 113 123.864 3.698 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.846 1.565 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.585 2.197 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.101 3.950 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.357 3.426 -7.639 1.00 0.00 H new ATOM 1834 N GLN A 114 121.269 4.526 -7.471 1.00 0.00 N ATOM 1835 CA GLN A 114 120.599 5.629 -8.162 1.00 0.00 C ATOM 1836 C GLN A 114 120.054 6.698 -7.202 1.00 0.00 C ATOM 1837 O GLN A 114 119.966 7.876 -7.558 1.00 0.00 O ATOM 1838 CB GLN A 114 119.477 5.087 -9.043 1.00 0.00 C ATOM 1839 CG GLN A 114 118.452 4.266 -8.281 1.00 0.00 C ATOM 1840 CD GLN A 114 117.360 3.712 -9.160 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.576 3.436 -10.335 1.00 0.00 O ATOM 1842 NE2 GLN A 114 116.187 3.546 -8.615 1.00 0.00 N ATOM 0 H GLN A 114 120.809 3.623 -7.587 1.00 0.00 H new ATOM 0 HA GLN A 114 121.351 6.120 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 114 118.973 5.922 -9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 114 119.910 4.472 -9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.958 3.442 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.004 4.886 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 114 116.042 3.786 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 114 115.415 3.176 -9.169 1.00 0.00 H new ATOM 1851 N ASP A 115 119.713 6.305 -6.004 1.00 0.00 N ATOM 1852 CA ASP A 115 119.107 7.239 -5.069 1.00 0.00 C ATOM 1853 C ASP A 115 120.091 7.784 -4.051 1.00 0.00 C ATOM 1854 O ASP A 115 120.222 8.994 -3.883 1.00 0.00 O ATOM 1855 CB ASP A 115 117.938 6.590 -4.339 1.00 0.00 C ATOM 1856 CG ASP A 115 117.292 7.530 -3.348 1.00 0.00 C ATOM 1857 OD1 ASP A 115 117.732 7.583 -2.192 1.00 0.00 O ATOM 1858 OD2 ASP A 115 116.329 8.226 -3.715 1.00 0.00 O ATOM 0 H ASP A 115 119.839 5.358 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 115 118.754 8.078 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.194 6.263 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.287 5.699 -3.818 1.00 0.00 H new ATOM 1863 N SER A 116 120.775 6.902 -3.384 1.00 0.00 N ATOM 1864 CA SER A 116 121.598 7.272 -2.274 1.00 0.00 C ATOM 1865 C SER A 116 123.059 7.496 -2.674 1.00 0.00 C ATOM 1866 O SER A 116 123.690 8.384 -2.149 1.00 0.00 O ATOM 1867 CB SER A 116 121.466 6.218 -1.162 1.00 0.00 C ATOM 1868 OG SER A 116 122.159 6.593 0.008 1.00 0.00 O ATOM 0 H SER A 116 120.777 5.904 -3.596 1.00 0.00 H new ATOM 0 HA SER A 116 121.246 8.232 -1.896 1.00 0.00 H new ATOM 0 HB2 SER A 116 120.412 6.069 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 116 121.850 5.263 -1.520 1.00 0.00 H new ATOM 0 HG SER A 116 121.625 6.355 0.795 1.00 0.00 H new ATOM 1874 N TYR A 117 123.576 6.743 -3.650 1.00 0.00 N ATOM 1875 CA TYR A 117 124.994 6.846 -4.021 1.00 0.00 C ATOM 1876 C TYR A 117 125.340 8.217 -4.579 1.00 0.00 C ATOM 1877 O TYR A 117 126.395 8.773 -4.283 1.00 0.00 O ATOM 1878 CB TYR A 117 125.379 5.718 -4.976 1.00 0.00 C ATOM 1879 CG TYR A 117 126.716 5.870 -5.649 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.894 5.910 -4.923 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.787 5.990 -7.024 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.103 6.062 -5.558 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.987 6.140 -7.661 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.140 6.173 -6.928 1.00 0.00 C ATOM 1885 OH TYR A 117 130.335 6.333 -7.565 1.00 0.00 O ATOM 0 H TYR A 117 123.043 6.063 -4.192 1.00 0.00 H new ATOM 0 HA TYR A 117 125.589 6.732 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.375 4.779 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.611 5.638 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.862 5.821 -3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.878 5.965 -7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.018 6.094 -4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.024 6.232 -8.736 1.00 0.00 H new ATOM 0 HH TYR A 117 131.065 6.097 -6.955 1.00 0.00 H new ATOM 1895 N THR A 118 124.445 8.759 -5.338 1.00 0.00 N ATOM 1896 CA THR A 118 124.613 10.075 -5.899 1.00 0.00 C ATOM 1897 C THR A 118 124.669 11.136 -4.764 1.00 0.00 C ATOM 1898 O THR A 118 125.583 12.003 -4.706 1.00 0.00 O ATOM 1899 CB THR A 118 123.448 10.348 -6.858 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.222 10.025 -6.192 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.563 9.488 -8.104 1.00 0.00 C ATOM 0 H THR A 118 123.568 8.305 -5.593 1.00 0.00 H new ATOM 0 HA THR A 118 125.551 10.134 -6.451 1.00 0.00 H new ATOM 0 HB THR A 118 123.470 11.398 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.468 10.196 -6.794 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.726 9.698 -8.770 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.499 9.712 -8.616 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.547 8.435 -7.822 1.00 0.00 H new ATOM 1909 N ARG A 119 123.748 11.007 -3.831 1.00 0.00 N ATOM 1910 CA ARG A 119 123.684 11.886 -2.683 1.00 0.00 C ATOM 1911 C ARG A 119 124.884 11.658 -1.768 1.00 0.00 C ATOM 1912 O ARG A 119 125.401 12.596 -1.158 1.00 0.00 O ATOM 1913 CB ARG A 119 122.372 11.702 -1.935 1.00 0.00 C ATOM 1914 CG ARG A 119 121.152 12.127 -2.731 1.00 0.00 C ATOM 1915 CD ARG A 119 119.881 11.967 -1.922 1.00 0.00 C ATOM 1916 NE ARG A 119 119.577 10.566 -1.620 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.414 10.062 -0.388 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.709 10.789 0.690 1.00 0.00 N ATOM 1919 NH2 ARG A 119 118.968 8.832 -0.244 1.00 0.00 N ATOM 0 H ARG A 119 123.023 10.290 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 119 123.721 12.918 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.266 10.653 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.408 12.275 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.261 13.167 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.083 11.531 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.976 12.523 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.048 12.405 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 119 119.482 9.925 -2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 119 120.063 11.740 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.581 10.395 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.749 8.269 -1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 119 118.841 8.441 0.690 1.00 0.00 H new ATOM 1933 N PHE A 120 125.325 10.415 -1.692 1.00 0.00 N ATOM 1934 CA PHE A 120 126.524 10.043 -0.972 1.00 0.00 C ATOM 1935 C PHE A 120 127.722 10.736 -1.581 1.00 0.00 C ATOM 1936 O PHE A 120 128.562 11.235 -0.871 1.00 0.00 O ATOM 1937 CB PHE A 120 126.725 8.511 -0.955 1.00 0.00 C ATOM 1938 CG PHE A 120 128.094 8.062 -0.481 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.419 8.019 0.871 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.060 7.696 -1.405 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.685 7.616 1.277 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.311 7.301 -1.000 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.625 7.260 0.339 1.00 0.00 C ATOM 0 H PHE A 120 124.852 9.627 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 120 126.415 10.365 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 120 125.967 8.065 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.557 8.124 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.683 8.301 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.825 7.722 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.930 7.582 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.051 7.021 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.610 6.948 0.653 1.00 0.00 H new ATOM 1953 N LEU A 121 127.773 10.799 -2.895 1.00 0.00 N ATOM 1954 CA LEU A 121 128.856 11.488 -3.578 1.00 0.00 C ATOM 1955 C LEU A 121 128.939 12.929 -3.180 1.00 0.00 C ATOM 1956 O LEU A 121 130.015 13.509 -3.167 1.00 0.00 O ATOM 1957 CB LEU A 121 128.740 11.377 -5.086 1.00 0.00 C ATOM 1958 CG LEU A 121 129.017 10.011 -5.651 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.856 10.048 -7.158 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.425 9.590 -5.266 1.00 0.00 C ATOM 0 H LEU A 121 127.078 10.382 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 121 129.774 10.990 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.734 11.677 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.430 12.087 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 121 128.312 9.285 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.056 9.059 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 121 127.838 10.346 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.558 10.766 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.633 8.600 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.142 10.306 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.512 9.562 -4.180 1.00 0.00 H new ATOM 1972 N LYS A 122 127.817 13.523 -2.869 1.00 0.00 N ATOM 1973 CA LYS A 122 127.851 14.900 -2.440 1.00 0.00 C ATOM 1974 C LYS A 122 127.701 15.052 -0.906 1.00 0.00 C ATOM 1975 O LYS A 122 127.640 16.179 -0.386 1.00 0.00 O ATOM 1976 CB LYS A 122 126.822 15.744 -3.200 1.00 0.00 C ATOM 1977 CG LYS A 122 126.887 15.600 -4.735 1.00 0.00 C ATOM 1978 CD LYS A 122 128.306 15.770 -5.304 1.00 0.00 C ATOM 1979 CE LYS A 122 128.892 17.136 -5.013 1.00 0.00 C ATOM 1980 NZ LYS A 122 130.284 17.259 -5.506 1.00 0.00 N ATOM 0 H LYS A 122 126.893 13.093 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 122 128.842 15.282 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.823 15.467 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.967 16.792 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.505 14.619 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.230 16.341 -5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.956 15.003 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 122 128.282 15.611 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.273 17.903 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.870 17.318 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.647 18.208 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 130.881 16.544 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 130.302 17.111 -6.535 1.00 0.00 H new ATOM 1994 N SER A 123 127.661 13.930 -0.190 1.00 0.00 N ATOM 1995 CA SER A 123 127.551 13.950 1.267 1.00 0.00 C ATOM 1996 C SER A 123 128.856 14.430 1.884 1.00 0.00 C ATOM 1997 O SER A 123 129.925 14.315 1.273 1.00 0.00 O ATOM 1998 CB SER A 123 127.222 12.556 1.820 1.00 0.00 C ATOM 1999 OG SER A 123 128.322 11.661 1.671 1.00 0.00 O ATOM 0 H SER A 123 127.703 12.995 -0.596 1.00 0.00 H new ATOM 0 HA SER A 123 126.742 14.632 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.956 12.635 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.352 12.154 1.301 1.00 0.00 H new ATOM 0 HG SER A 123 128.294 11.253 0.780 1.00 0.00 H new ATOM 2005 N ASP A 124 128.793 14.883 3.105 1.00 0.00 N ATOM 2006 CA ASP A 124 129.961 15.417 3.761 1.00 0.00 C ATOM 2007 C ASP A 124 130.888 14.287 4.195 1.00 0.00 C ATOM 2008 O ASP A 124 132.098 14.480 4.305 1.00 0.00 O ATOM 2009 CB ASP A 124 129.564 16.289 4.958 1.00 0.00 C ATOM 2010 CG ASP A 124 130.745 17.006 5.587 1.00 0.00 C ATOM 2011 OD1 ASP A 124 131.128 18.085 5.094 1.00 0.00 O ATOM 2012 OD2 ASP A 124 131.304 16.519 6.604 1.00 0.00 O ATOM 0 H ASP A 124 127.944 14.894 3.670 1.00 0.00 H new ATOM 0 HA ASP A 124 130.497 16.048 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 124 128.828 17.026 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.082 15.665 5.711 1.00 0.00 H new ATOM 2017 N ILE A 125 130.322 13.087 4.383 1.00 0.00 N ATOM 2018 CA ILE A 125 131.125 11.931 4.788 1.00 0.00 C ATOM 2019 C ILE A 125 132.047 11.534 3.611 1.00 0.00 C ATOM 2020 O ILE A 125 133.260 11.313 3.790 1.00 0.00 O ATOM 2021 CB ILE A 125 130.216 10.715 5.320 1.00 0.00 C ATOM 2022 CG1 ILE A 125 130.997 9.743 6.251 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.552 9.914 4.193 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.073 8.894 5.590 1.00 0.00 C ATOM 0 H ILE A 125 129.327 12.895 4.263 1.00 0.00 H new ATOM 0 HA ILE A 125 131.749 12.200 5.640 1.00 0.00 H new ATOM 0 HB ILE A 125 129.430 11.200 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 125 131.463 10.329 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 125 130.279 9.075 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 125 128.954 9.110 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 125 128.909 10.572 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.320 9.490 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 125 132.546 8.259 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 125 131.622 8.271 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 125 132.823 9.544 5.139 1.00 0.00 H new ATOM 2036 N TYR A 126 131.503 11.544 2.395 1.00 0.00 N ATOM 2037 CA TYR A 126 132.297 11.212 1.238 1.00 0.00 C ATOM 2038 C TYR A 126 133.297 12.316 0.957 1.00 0.00 C ATOM 2039 O TYR A 126 134.446 12.054 0.593 1.00 0.00 O ATOM 2040 CB TYR A 126 131.438 10.930 0.011 1.00 0.00 C ATOM 2041 CG TYR A 126 132.250 10.584 -1.213 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.087 9.480 -1.211 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.220 11.381 -2.344 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.859 9.168 -2.294 1.00 0.00 C ATOM 2045 CE2 TYR A 126 132.993 11.085 -3.436 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.806 9.980 -3.414 1.00 0.00 C ATOM 2047 OH TYR A 126 134.589 9.702 -4.503 1.00 0.00 O ATOM 0 H TYR A 126 130.530 11.776 2.198 1.00 0.00 H new ATOM 0 HA TYR A 126 132.837 10.292 1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.757 10.108 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.823 11.804 -0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.130 8.852 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.578 12.249 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.502 8.300 -2.277 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.962 11.719 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 126 135.112 8.891 -4.332 1.00 0.00 H new ATOM 2057 N LEU A 127 132.882 13.542 1.158 1.00 0.00 N ATOM 2058 CA LEU A 127 133.773 14.660 0.972 1.00 0.00 C ATOM 2059 C LEU A 127 134.890 14.666 2.007 1.00 0.00 C ATOM 2060 O LEU A 127 135.981 15.131 1.730 1.00 0.00 O ATOM 2061 CB LEU A 127 133.030 16.000 0.889 1.00 0.00 C ATOM 2062 CG LEU A 127 132.498 16.416 -0.503 1.00 0.00 C ATOM 2063 CD1 LEU A 127 133.642 16.679 -1.463 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.564 15.380 -1.083 1.00 0.00 C ATOM 0 H LEU A 127 131.937 13.791 1.449 1.00 0.00 H new ATOM 0 HA LEU A 127 134.248 14.529 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.187 15.964 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.700 16.783 1.245 1.00 0.00 H new ATOM 0 HG LEU A 127 131.932 17.337 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.242 16.970 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.267 17.482 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 127 134.240 15.774 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.214 15.712 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.092 14.433 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 127 130.711 15.247 -0.418 1.00 0.00 H new ATOM 2076 N ASP A 128 134.637 14.077 3.168 1.00 0.00 N ATOM 2077 CA ASP A 128 135.675 13.932 4.195 1.00 0.00 C ATOM 2078 C ASP A 128 136.771 13.023 3.681 1.00 0.00 C ATOM 2079 O ASP A 128 137.948 13.263 3.913 1.00 0.00 O ATOM 2080 CB ASP A 128 135.109 13.365 5.497 1.00 0.00 C ATOM 2081 CG ASP A 128 136.169 13.208 6.572 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.487 14.204 7.253 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.691 12.080 6.772 1.00 0.00 O ATOM 0 H ASP A 128 133.729 13.692 3.427 1.00 0.00 H new ATOM 0 HA ASP A 128 136.077 14.923 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.320 14.022 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.651 12.396 5.299 1.00 0.00 H new ATOM 2088 N LEU A 129 136.368 11.982 2.962 1.00 0.00 N ATOM 2089 CA LEU A 129 137.327 11.061 2.337 1.00 0.00 C ATOM 2090 C LEU A 129 138.063 11.802 1.220 1.00 0.00 C ATOM 2091 O LEU A 129 139.257 11.594 0.993 1.00 0.00 O ATOM 2092 CB LEU A 129 136.588 9.872 1.719 1.00 0.00 C ATOM 2093 CG LEU A 129 135.503 9.247 2.589 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.603 8.397 1.747 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.116 8.411 3.695 1.00 0.00 C ATOM 0 H LEU A 129 135.389 11.750 2.794 1.00 0.00 H new ATOM 0 HA LEU A 129 138.026 10.704 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.136 10.196 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.319 9.102 1.471 1.00 0.00 H new ATOM 0 HG LEU A 129 134.921 10.048 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.830 7.953 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.137 9.012 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.186 7.606 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.324 7.975 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.718 7.614 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.748 9.042 4.320 1.00 0.00 H new ATOM 2107 N MET A 130 137.316 12.669 0.536 1.00 0.00 N ATOM 2108 CA MET A 130 137.821 13.465 -0.578 1.00 0.00 C ATOM 2109 C MET A 130 138.880 14.448 -0.158 1.00 0.00 C ATOM 2110 O MET A 130 139.905 14.556 -0.821 1.00 0.00 O ATOM 2111 CB MET A 130 136.692 14.247 -1.292 1.00 0.00 C ATOM 2112 CG MET A 130 135.657 13.437 -2.088 1.00 0.00 C ATOM 2113 SD MET A 130 136.324 12.614 -3.554 1.00 0.00 S ATOM 2114 CE MET A 130 137.285 11.301 -2.817 1.00 0.00 C ATOM 0 H MET A 130 136.332 12.839 0.744 1.00 0.00 H new ATOM 0 HA MET A 130 138.260 12.741 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.158 14.827 -0.540 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.156 14.960 -1.973 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.218 12.685 -1.432 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.850 14.102 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.345 11.484 -2.992 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.094 11.269 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.003 10.348 -3.265 1.00 0.00 H new