USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 978 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 41 MET CE :methyl -134:sc= -0.307 (180deg=-1.17) USER MOD Set 1.2: A 43 MET CE :methyl -172:sc= -1.03 (180deg=-1.14) USER MOD Set 2.1: A 30 SER OG : rot -70:sc= 1.03 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= -0.36 USER MOD Set 3.1: A 5 SER OG : rot 130:sc= 0 USER MOD Set 3.2: A 88 SER OG : rot 103:sc= 0.699 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.238 (180deg=-1.7) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0819 (180deg=-0.0462) USER MOD Single : A 4 GLN : amide:sc= -0.826 K(o=-0.83,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 1.15 (180deg=-1.38) USER MOD Single : A 12 SER OG : rot -17:sc= 0.552 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00336 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.000277 K(o=-0.00028,f=-0.8) USER MOD Single : A 36 HIS : no HE2:sc= -0.59 K(o=-0.59,f=-5.1!) USER MOD Single : A 38 MET CE :methyl -159:sc= -0.109 (180deg=-0.574) USER MOD Single : A 53 SER OG : rot -21:sc= 0.118 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.837 (180deg=-0.283!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -153:sc= -0.267 USER MOD Single : A 65 TYR OH : rot 150:sc= 0.401 USER MOD Single : A 71 GLN : amide:sc= -2.23! C(o=-2.2!,f=-6.3!) USER MOD Single : A 72 THR OG1 : rot 78:sc= 2.14 USER MOD Single : A 73 SER OG : rot -84:sc= 0.807 USER MOD Single : A 74 GLN : amide:sc= -0.746 K(o=-0.75,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -1.94! C(o=-1.9!,f=-2!) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 1.18 (180deg=1.13) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.979) USER MOD Single : A 104 THR OG1 : rot 137:sc= 0.639 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.221 K(o=-0.22,f=-5.5!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-1.1) USER MOD Single : A 128 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.072) USER MOD Single : A 129 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.57) USER MOD Single : A 130 HIS : no HE2:sc= -0.783 K(o=-0.78,f=-2.7!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.062 2.001 14.406 1.00 4.23 N ATOM 2 CA MET A 1 -2.528 0.648 14.089 1.00 41.30 C ATOM 3 C MET A 1 -1.001 0.611 14.246 1.00 70.02 C ATOM 4 O MET A 1 -0.383 1.619 14.588 1.00 73.02 O ATOM 5 CB MET A 1 -2.923 0.238 12.661 1.00 54.23 C ATOM 6 CG MET A 1 -2.349 1.140 11.571 1.00 2.44 C ATOM 7 SD MET A 1 -2.826 0.620 9.911 1.00 71.04 S ATOM 8 CE MET A 1 -4.611 0.735 10.014 1.00 12.30 C ATOM 0 H1 MET A 1 -3.679 2.321 13.632 1.00 4.23 H new ATOM 0 H2 MET A 1 -3.608 1.960 15.290 1.00 4.23 H new ATOM 0 H3 MET A 1 -2.272 2.668 14.518 1.00 4.23 H new ATOM 0 HA MET A 1 -2.963 -0.061 14.793 1.00 41.30 H new ATOM 0 HB2 MET A 1 -2.591 -0.785 12.483 1.00 54.23 H new ATOM 0 HB3 MET A 1 -4.010 0.238 12.582 1.00 54.23 H new ATOM 0 HG2 MET A 1 -2.686 2.163 11.737 1.00 2.44 H new ATOM 0 HG3 MET A 1 -1.262 1.147 11.646 1.00 2.44 H new ATOM 0 HE1 MET A 1 -5.006 1.111 9.070 1.00 12.30 H new ATOM 0 HE2 MET A 1 -5.028 -0.252 10.215 1.00 12.30 H new ATOM 0 HE3 MET A 1 -4.886 1.416 10.820 1.00 12.30 H new ATOM 20 N GLU A 2 -0.396 -0.549 13.989 1.00 42.13 N ATOM 21 CA GLU A 2 1.059 -0.698 14.112 1.00 42.42 C ATOM 22 C GLU A 2 1.812 0.166 13.077 1.00 1.24 C ATOM 23 O GLU A 2 1.364 0.319 11.938 1.00 15.21 O ATOM 24 CB GLU A 2 1.473 -2.172 13.976 1.00 63.43 C ATOM 25 CG GLU A 2 1.017 -2.843 12.689 1.00 55.10 C ATOM 26 CD GLU A 2 -0.390 -3.429 12.779 1.00 0.44 C ATOM 27 OE1 GLU A 2 -0.529 -4.572 13.264 1.00 22.22 O ATOM 28 OE2 GLU A 2 -1.358 -2.749 12.382 1.00 42.21 O ATOM 0 H GLU A 2 -0.885 -1.395 13.696 1.00 42.13 H new ATOM 0 HA GLU A 2 1.335 -0.346 15.106 1.00 42.42 H new ATOM 0 HB2 GLU A 2 2.559 -2.238 14.039 1.00 63.43 H new ATOM 0 HB3 GLU A 2 1.070 -2.728 14.822 1.00 63.43 H new ATOM 0 HG2 GLU A 2 1.049 -2.116 11.877 1.00 55.10 H new ATOM 0 HG3 GLU A 2 1.718 -3.637 12.433 1.00 55.10 H new ATOM 35 N PRO A 3 2.969 0.745 13.468 1.00 41.44 N ATOM 36 CA PRO A 3 3.759 1.636 12.589 1.00 1.15 C ATOM 37 C PRO A 3 4.224 0.945 11.295 1.00 43.43 C ATOM 38 O PRO A 3 3.882 1.376 10.190 1.00 23.41 O ATOM 39 CB PRO A 3 4.968 2.026 13.462 1.00 23.12 C ATOM 40 CG PRO A 3 4.534 1.762 14.866 1.00 0.42 C ATOM 41 CD PRO A 3 3.599 0.585 14.790 1.00 43.10 C ATOM 0 HA PRO A 3 3.169 2.487 12.248 1.00 1.15 H new ATOM 0 HB2 PRO A 3 5.848 1.436 13.204 1.00 23.12 H new ATOM 0 HB3 PRO A 3 5.234 3.074 13.322 1.00 23.12 H new ATOM 0 HG2 PRO A 3 5.389 1.542 15.505 1.00 0.42 H new ATOM 0 HG3 PRO A 3 4.034 2.632 15.291 1.00 0.42 H new ATOM 0 HD2 PRO A 3 4.134 -0.361 14.870 1.00 43.10 H new ATOM 0 HD3 PRO A 3 2.862 0.603 15.593 1.00 43.10 H new ATOM 49 N GLN A 4 5.010 -0.124 11.443 1.00 1.41 N ATOM 50 CA GLN A 4 5.507 -0.897 10.297 1.00 32.02 C ATOM 51 C GLN A 4 4.878 -2.298 10.269 1.00 52.21 C ATOM 52 O GLN A 4 5.168 -3.138 11.125 1.00 55.34 O ATOM 53 CB GLN A 4 7.040 -1.021 10.350 1.00 23.35 C ATOM 54 CG GLN A 4 7.770 0.311 10.469 1.00 23.54 C ATOM 55 CD GLN A 4 9.287 0.165 10.438 1.00 4.42 C ATOM 56 OE1 GLN A 4 10.001 1.071 10.024 1.00 45.02 O ATOM 57 NE2 GLN A 4 9.797 -0.983 10.847 1.00 11.32 N ATOM 0 H GLN A 4 5.318 -0.477 12.349 1.00 1.41 H new ATOM 0 HA GLN A 4 5.224 -0.365 9.389 1.00 32.02 H new ATOM 0 HB2 GLN A 4 7.313 -1.650 11.198 1.00 23.35 H new ATOM 0 HB3 GLN A 4 7.383 -1.532 9.450 1.00 23.35 H new ATOM 0 HG2 GLN A 4 7.457 0.964 9.655 1.00 23.54 H new ATOM 0 HG3 GLN A 4 7.477 0.798 11.399 1.00 23.54 H new ATOM 0 HE21 GLN A 4 9.182 -1.722 11.187 1.00 11.32 H new ATOM 0 HE22 GLN A 4 10.806 -1.130 10.822 1.00 11.32 H new ATOM 66 N SER A 5 4.022 -2.545 9.285 1.00 23.33 N ATOM 67 CA SER A 5 3.349 -3.842 9.145 1.00 54.32 C ATOM 68 C SER A 5 4.144 -4.783 8.234 1.00 11.44 C ATOM 69 O SER A 5 4.674 -4.368 7.207 1.00 75.43 O ATOM 70 CB SER A 5 1.933 -3.646 8.588 1.00 45.13 C ATOM 71 OG SER A 5 1.957 -2.948 7.353 1.00 65.03 O ATOM 0 H SER A 5 3.773 -1.865 8.567 1.00 23.33 H new ATOM 0 HA SER A 5 3.287 -4.297 10.133 1.00 54.32 H new ATOM 0 HB2 SER A 5 1.456 -4.617 8.450 1.00 45.13 H new ATOM 0 HB3 SER A 5 1.330 -3.094 9.309 1.00 45.13 H new ATOM 0 HG SER A 5 1.423 -3.435 6.691 1.00 65.03 H new ATOM 77 N ASP A 6 4.243 -6.050 8.623 1.00 51.54 N ATOM 78 CA ASP A 6 4.947 -7.051 7.816 1.00 4.32 C ATOM 79 C ASP A 6 4.022 -7.641 6.736 1.00 43.13 C ATOM 80 O ASP A 6 2.796 -7.641 6.882 1.00 44.34 O ATOM 81 CB ASP A 6 5.499 -8.164 8.717 1.00 71.14 C ATOM 82 CG ASP A 6 6.286 -9.209 7.942 1.00 3.43 C ATOM 83 OD1 ASP A 6 5.656 -10.080 7.305 1.00 42.41 O ATOM 84 OD2 ASP A 6 7.533 -9.165 7.965 1.00 72.14 O ATOM 0 H ASP A 6 3.846 -6.412 9.490 1.00 51.54 H new ATOM 0 HA ASP A 6 5.780 -6.560 7.313 1.00 4.32 H new ATOM 0 HB2 ASP A 6 6.141 -7.724 9.480 1.00 71.14 H new ATOM 0 HB3 ASP A 6 4.673 -8.649 9.237 1.00 71.14 H new ATOM 89 N ALA A 7 4.624 -8.160 5.667 1.00 73.14 N ATOM 90 CA ALA A 7 3.879 -8.721 4.536 1.00 40.10 C ATOM 91 C ALA A 7 2.875 -9.807 4.964 1.00 24.31 C ATOM 92 O ALA A 7 1.699 -9.746 4.599 1.00 32.43 O ATOM 93 CB ALA A 7 4.853 -9.274 3.502 1.00 61.34 C ATOM 0 H ALA A 7 5.637 -8.205 5.558 1.00 73.14 H new ATOM 0 HA ALA A 7 3.295 -7.912 4.098 1.00 40.10 H new ATOM 0 HB1 ALA A 7 4.295 -9.690 2.663 1.00 61.34 H new ATOM 0 HB2 ALA A 7 5.500 -8.472 3.146 1.00 61.34 H new ATOM 0 HB3 ALA A 7 5.461 -10.056 3.957 1.00 61.34 H new ATOM 99 N HIS A 8 3.322 -10.806 5.737 1.00 71.30 N ATOM 100 CA HIS A 8 2.409 -11.879 6.177 1.00 41.25 C ATOM 101 C HIS A 8 1.446 -11.407 7.274 1.00 65.31 C ATOM 102 O HIS A 8 0.360 -11.966 7.431 1.00 31.24 O ATOM 103 CB HIS A 8 3.147 -13.170 6.589 1.00 51.33 C ATOM 104 CG HIS A 8 4.402 -12.985 7.386 1.00 5.44 C ATOM 105 ND1 HIS A 8 5.641 -13.352 6.908 1.00 11.30 N ATOM 106 CD2 HIS A 8 4.613 -12.513 8.638 1.00 34.54 C ATOM 107 CE1 HIS A 8 6.553 -13.117 7.820 1.00 1.23 C ATOM 108 NE2 HIS A 8 5.964 -12.607 8.883 1.00 71.42 N ATOM 0 H HIS A 8 4.283 -10.897 6.066 1.00 71.30 H new ATOM 0 HA HIS A 8 1.809 -12.132 5.303 1.00 41.25 H new ATOM 0 HB2 HIS A 8 2.461 -13.788 7.168 1.00 51.33 H new ATOM 0 HB3 HIS A 8 3.393 -13.728 5.686 1.00 51.33 H new ATOM 0 HD2 HIS A 8 3.863 -12.134 9.316 1.00 34.54 H new ATOM 0 HE1 HIS A 8 7.611 -13.309 7.717 1.00 1.23 H new ATOM 0 HE2 HIS A 8 6.432 -12.328 9.745 1.00 71.42 H new ATOM 117 N VAL A 9 1.839 -10.390 8.037 1.00 51.14 N ATOM 118 CA VAL A 9 0.915 -9.750 8.982 1.00 61.54 C ATOM 119 C VAL A 9 -0.288 -9.151 8.230 1.00 13.40 C ATOM 120 O VAL A 9 -1.444 -9.407 8.572 1.00 60.12 O ATOM 121 CB VAL A 9 1.618 -8.643 9.814 1.00 33.33 C ATOM 122 CG1 VAL A 9 0.614 -7.865 10.666 1.00 51.34 C ATOM 123 CG2 VAL A 9 2.714 -9.247 10.693 1.00 65.45 C ATOM 0 H VAL A 9 2.778 -9.992 8.024 1.00 51.14 H new ATOM 0 HA VAL A 9 0.567 -10.520 9.671 1.00 61.54 H new ATOM 0 HB VAL A 9 2.077 -7.942 9.117 1.00 33.33 H new ATOM 0 HG11 VAL A 9 1.138 -7.098 11.236 1.00 51.34 H new ATOM 0 HG12 VAL A 9 -0.125 -7.394 10.018 1.00 51.34 H new ATOM 0 HG13 VAL A 9 0.113 -8.548 11.352 1.00 51.34 H new ATOM 0 HG21 VAL A 9 3.196 -8.457 11.269 1.00 65.45 H new ATOM 0 HG22 VAL A 9 2.274 -9.975 11.374 1.00 65.45 H new ATOM 0 HG23 VAL A 9 3.455 -9.740 10.064 1.00 65.45 H new ATOM 133 N LEU A 10 -0.004 -8.370 7.187 1.00 41.34 N ATOM 134 CA LEU A 10 -1.055 -7.800 6.337 1.00 1.13 C ATOM 135 C LEU A 10 -1.834 -8.905 5.596 1.00 71.44 C ATOM 136 O LEU A 10 -3.066 -8.906 5.579 1.00 14.11 O ATOM 137 CB LEU A 10 -0.441 -6.815 5.327 1.00 23.41 C ATOM 138 CG LEU A 10 -1.436 -6.139 4.364 1.00 32.32 C ATOM 139 CD1 LEU A 10 -2.514 -5.385 5.136 1.00 34.35 C ATOM 140 CD2 LEU A 10 -0.704 -5.201 3.402 1.00 30.35 C ATOM 0 H LEU A 10 0.944 -8.117 6.909 1.00 41.34 H new ATOM 0 HA LEU A 10 -1.756 -7.266 6.978 1.00 1.13 H new ATOM 0 HB2 LEU A 10 0.086 -6.038 5.880 1.00 23.41 H new ATOM 0 HB3 LEU A 10 0.304 -7.347 4.736 1.00 23.41 H new ATOM 0 HG LEU A 10 -1.923 -6.919 3.778 1.00 32.32 H new ATOM 0 HD11 LEU A 10 -3.204 -4.917 4.434 1.00 34.35 H new ATOM 0 HD12 LEU A 10 -3.060 -6.081 5.772 1.00 34.35 H new ATOM 0 HD13 LEU A 10 -2.049 -4.617 5.754 1.00 34.35 H new ATOM 0 HD21 LEU A 10 -1.424 -4.734 2.731 1.00 30.35 H new ATOM 0 HD22 LEU A 10 -0.185 -4.430 3.971 1.00 30.35 H new ATOM 0 HD23 LEU A 10 0.019 -5.770 2.818 1.00 30.35 H new ATOM 152 N LYS A 11 -1.103 -9.850 5.002 1.00 53.14 N ATOM 153 CA LYS A 11 -1.715 -10.966 4.265 1.00 75.52 C ATOM 154 C LYS A 11 -2.707 -11.748 5.141 1.00 64.23 C ATOM 155 O LYS A 11 -3.840 -12.014 4.731 1.00 61.34 O ATOM 156 CB LYS A 11 -0.629 -11.916 3.733 1.00 14.54 C ATOM 157 CG LYS A 11 -1.180 -13.068 2.893 1.00 1.22 C ATOM 158 CD LYS A 11 -0.114 -14.117 2.574 1.00 51.53 C ATOM 159 CE LYS A 11 -0.741 -15.427 2.094 1.00 40.14 C ATOM 160 NZ LYS A 11 0.265 -16.515 1.972 1.00 2.10 N ATOM 0 H LYS A 11 -0.083 -9.868 5.015 1.00 53.14 H new ATOM 0 HA LYS A 11 -2.267 -10.541 3.427 1.00 75.52 H new ATOM 0 HB2 LYS A 11 0.078 -11.345 3.131 1.00 14.54 H new ATOM 0 HB3 LYS A 11 -0.072 -12.326 4.576 1.00 14.54 H new ATOM 0 HG2 LYS A 11 -2.004 -13.542 3.427 1.00 1.22 H new ATOM 0 HG3 LYS A 11 -1.588 -12.673 1.962 1.00 1.22 H new ATOM 0 HD2 LYS A 11 0.558 -13.732 1.807 1.00 51.53 H new ATOM 0 HD3 LYS A 11 0.489 -14.305 3.462 1.00 51.53 H new ATOM 0 HE2 LYS A 11 -1.522 -15.732 2.791 1.00 40.14 H new ATOM 0 HE3 LYS A 11 -1.220 -15.267 1.128 1.00 40.14 H new ATOM 0 HZ1 LYS A 11 0.259 -16.886 1.000 1.00 2.10 H new ATOM 0 HZ2 LYS A 11 1.210 -16.141 2.194 1.00 2.10 H new ATOM 0 HZ3 LYS A 11 0.031 -17.280 2.636 1.00 2.10 H new ATOM 174 N SER A 12 -2.279 -12.103 6.353 1.00 12.04 N ATOM 175 CA SER A 12 -3.134 -12.857 7.283 1.00 72.01 C ATOM 176 C SER A 12 -4.390 -12.066 7.668 1.00 71.24 C ATOM 177 O SER A 12 -5.447 -12.649 7.863 1.00 71.45 O ATOM 178 CB SER A 12 -2.365 -13.255 8.551 1.00 40.53 C ATOM 179 OG SER A 12 -1.896 -12.114 9.255 1.00 12.54 O ATOM 0 H SER A 12 -1.351 -11.884 6.716 1.00 12.04 H new ATOM 0 HA SER A 12 -3.443 -13.762 6.760 1.00 72.01 H new ATOM 0 HB2 SER A 12 -3.012 -13.844 9.201 1.00 40.53 H new ATOM 0 HB3 SER A 12 -1.521 -13.890 8.282 1.00 40.53 H new ATOM 0 HG SER A 12 -1.910 -11.335 8.661 1.00 12.54 H new ATOM 185 N ARG A 13 -4.280 -10.743 7.778 1.00 4.34 N ATOM 186 CA ARG A 13 -5.453 -9.905 8.079 1.00 52.43 C ATOM 187 C ARG A 13 -6.379 -9.776 6.863 1.00 4.13 C ATOM 188 O ARG A 13 -7.596 -9.677 7.003 1.00 0.33 O ATOM 189 CB ARG A 13 -5.023 -8.517 8.552 1.00 70.25 C ATOM 190 CG ARG A 13 -4.197 -8.558 9.824 1.00 42.23 C ATOM 191 CD ARG A 13 -3.700 -7.178 10.227 1.00 25.52 C ATOM 192 NE ARG A 13 -4.750 -6.373 10.851 1.00 41.02 N ATOM 193 CZ ARG A 13 -4.535 -5.318 11.597 1.00 64.34 C ATOM 194 NH1 ARG A 13 -3.325 -4.882 11.801 1.00 71.21 N ATOM 195 NH2 ARG A 13 -5.540 -4.697 12.128 1.00 1.31 N ATOM 0 H ARG A 13 -3.406 -10.228 7.666 1.00 4.34 H new ATOM 0 HA ARG A 13 -6.005 -10.398 8.879 1.00 52.43 H new ATOM 0 HB2 ARG A 13 -4.445 -8.033 7.765 1.00 70.25 H new ATOM 0 HB3 ARG A 13 -5.909 -7.905 8.719 1.00 70.25 H new ATOM 0 HG2 ARG A 13 -4.797 -8.977 10.632 1.00 42.23 H new ATOM 0 HG3 ARG A 13 -3.345 -9.223 9.681 1.00 42.23 H new ATOM 0 HD2 ARG A 13 -2.865 -7.282 10.919 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -3.321 -6.659 9.347 1.00 25.52 H new ATOM 0 HE ARG A 13 -5.718 -6.653 10.694 1.00 41.02 H new ATOM 0 HH11 ARG A 13 -2.531 -5.363 11.378 1.00 71.21 H new ATOM 0 HH12 ARG A 13 -3.171 -4.059 12.384 1.00 71.21 H new ATOM 0 HH21 ARG A 13 -6.490 -5.030 11.964 1.00 1.31 H new ATOM 0 HH22 ARG A 13 -5.381 -3.875 12.710 1.00 1.31 H new ATOM 209 N LEU A 14 -5.792 -9.771 5.674 1.00 3.21 N ATOM 210 CA LEU A 14 -6.554 -9.711 4.434 1.00 23.15 C ATOM 211 C LEU A 14 -7.405 -10.979 4.230 1.00 60.24 C ATOM 212 O LEU A 14 -8.580 -10.900 3.854 1.00 4.22 O ATOM 213 CB LEU A 14 -5.591 -9.519 3.255 1.00 43.43 C ATOM 214 CG LEU A 14 -6.267 -9.415 1.890 1.00 34.00 C ATOM 215 CD1 LEU A 14 -7.113 -8.147 1.790 1.00 12.35 C ATOM 216 CD2 LEU A 14 -5.244 -9.482 0.758 1.00 73.44 C ATOM 0 H LEU A 14 -4.781 -9.808 5.542 1.00 3.21 H new ATOM 0 HA LEU A 14 -7.239 -8.865 4.491 1.00 23.15 H new ATOM 0 HB2 LEU A 14 -5.005 -8.616 3.425 1.00 43.43 H new ATOM 0 HB3 LEU A 14 -4.891 -10.354 3.236 1.00 43.43 H new ATOM 0 HG LEU A 14 -6.933 -10.271 1.786 1.00 34.00 H new ATOM 0 HD11 LEU A 14 -7.582 -8.099 0.807 1.00 12.35 H new ATOM 0 HD12 LEU A 14 -7.884 -8.162 2.560 1.00 12.35 H new ATOM 0 HD13 LEU A 14 -6.477 -7.273 1.931 1.00 12.35 H new ATOM 0 HD21 LEU A 14 -5.757 -9.405 -0.201 1.00 73.44 H new ATOM 0 HD22 LEU A 14 -4.536 -8.659 0.858 1.00 73.44 H new ATOM 0 HD23 LEU A 14 -4.708 -10.430 0.808 1.00 73.44 H new ATOM 228 N GLU A 15 -6.805 -12.144 4.470 1.00 15.24 N ATOM 229 CA GLU A 15 -7.505 -13.428 4.305 1.00 53.24 C ATOM 230 C GLU A 15 -8.258 -13.842 5.587 1.00 71.51 C ATOM 231 O GLU A 15 -9.449 -14.146 5.558 1.00 44.23 O ATOM 232 CB GLU A 15 -6.498 -14.530 3.941 1.00 73.34 C ATOM 233 CG GLU A 15 -5.589 -14.203 2.758 1.00 45.41 C ATOM 234 CD GLU A 15 -4.556 -15.295 2.482 1.00 30.23 C ATOM 235 OE1 GLU A 15 -4.299 -16.129 3.384 1.00 71.43 O ATOM 236 OE2 GLU A 15 -3.995 -15.319 1.367 1.00 44.11 O ATOM 0 H GLU A 15 -5.837 -12.231 4.779 1.00 15.24 H new ATOM 0 HA GLU A 15 -8.234 -13.300 3.505 1.00 53.24 H new ATOM 0 HB2 GLU A 15 -5.876 -14.737 4.812 1.00 73.34 H new ATOM 0 HB3 GLU A 15 -7.047 -15.445 3.717 1.00 73.34 H new ATOM 0 HG2 GLU A 15 -6.200 -14.054 1.867 1.00 45.41 H new ATOM 0 HG3 GLU A 15 -5.073 -13.263 2.952 1.00 45.41 H new ATOM 243 N TRP A 16 -7.539 -13.857 6.711 1.00 43.20 N ATOM 244 CA TRP A 16 -8.059 -14.392 7.983 1.00 52.15 C ATOM 245 C TRP A 16 -8.589 -13.278 8.910 1.00 33.35 C ATOM 246 O TRP A 16 -9.580 -13.463 9.617 1.00 32.34 O ATOM 247 CB TRP A 16 -6.941 -15.170 8.705 1.00 64.54 C ATOM 248 CG TRP A 16 -6.260 -16.197 7.840 1.00 41.12 C ATOM 249 CD1 TRP A 16 -5.436 -15.949 6.782 1.00 1.42 C ATOM 250 CD2 TRP A 16 -6.327 -17.621 7.969 1.00 54.50 C ATOM 251 NE1 TRP A 16 -5.014 -17.127 6.222 1.00 42.13 N ATOM 252 CE2 TRP A 16 -5.538 -18.172 6.939 1.00 23.04 C ATOM 253 CE3 TRP A 16 -6.981 -18.486 8.853 1.00 60.13 C ATOM 254 CZ2 TRP A 16 -5.389 -19.547 6.768 1.00 73.21 C ATOM 255 CZ3 TRP A 16 -6.832 -19.852 8.684 1.00 75.15 C ATOM 256 CH2 TRP A 16 -6.041 -20.370 7.649 1.00 21.22 C ATOM 0 H TRP A 16 -6.585 -13.502 6.772 1.00 43.20 H new ATOM 0 HA TRP A 16 -8.894 -15.052 7.748 1.00 52.15 H new ATOM 0 HB2 TRP A 16 -6.196 -14.463 9.069 1.00 64.54 H new ATOM 0 HB3 TRP A 16 -7.363 -15.666 9.579 1.00 64.54 H new ATOM 0 HD1 TRP A 16 -5.156 -14.965 6.435 1.00 1.42 H new ATOM 0 HE1 TRP A 16 -4.409 -17.212 5.405 1.00 42.13 H new ATOM 0 HE3 TRP A 16 -7.592 -18.095 9.653 1.00 60.13 H new ATOM 0 HZ2 TRP A 16 -4.782 -19.949 5.970 1.00 73.21 H new ATOM 0 HZ3 TRP A 16 -7.333 -20.529 9.360 1.00 75.15 H new ATOM 0 HH2 TRP A 16 -5.943 -21.440 7.544 1.00 21.22 H new ATOM 267 N GLY A 17 -7.911 -12.132 8.907 1.00 23.21 N ATOM 268 CA GLY A 17 -8.269 -11.019 9.788 1.00 42.33 C ATOM 269 C GLY A 17 -9.499 -10.248 9.316 1.00 13.13 C ATOM 270 O GLY A 17 -10.545 -10.835 9.040 1.00 40.54 O ATOM 0 H GLY A 17 -7.109 -11.948 8.304 1.00 23.21 H new ATOM 0 HA2 GLY A 17 -8.452 -11.403 10.791 1.00 42.33 H new ATOM 0 HA3 GLY A 17 -7.424 -10.334 9.858 1.00 42.33 H new ATOM 274 N GLU A 18 -9.381 -8.923 9.230 1.00 72.14 N ATOM 275 CA GLU A 18 -10.457 -8.083 8.692 1.00 63.11 C ATOM 276 C GLU A 18 -10.045 -7.439 7.363 1.00 61.55 C ATOM 277 O GLU A 18 -9.227 -6.521 7.336 1.00 43.01 O ATOM 278 CB GLU A 18 -10.847 -6.986 9.684 1.00 5.34 C ATOM 279 CG GLU A 18 -11.550 -7.497 10.929 1.00 34.33 C ATOM 280 CD GLU A 18 -11.912 -6.373 11.887 1.00 70.42 C ATOM 281 OE1 GLU A 18 -11.000 -5.808 12.525 1.00 41.04 O ATOM 282 OE2 GLU A 18 -13.113 -6.029 11.985 1.00 62.14 O ATOM 0 H GLU A 18 -8.553 -8.406 9.525 1.00 72.14 H new ATOM 0 HA GLU A 18 -11.316 -8.732 8.521 1.00 63.11 H new ATOM 0 HB2 GLU A 18 -9.949 -6.445 9.983 1.00 5.34 H new ATOM 0 HB3 GLU A 18 -11.497 -6.270 9.181 1.00 5.34 H new ATOM 0 HG2 GLU A 18 -12.455 -8.031 10.640 1.00 34.33 H new ATOM 0 HG3 GLU A 18 -10.906 -8.214 11.439 1.00 34.33 H new ATOM 289 N PRO A 19 -10.642 -7.893 6.251 1.00 43.31 N ATOM 290 CA PRO A 19 -10.357 -7.363 4.899 1.00 64.25 C ATOM 291 C PRO A 19 -10.949 -5.959 4.651 1.00 45.31 C ATOM 292 O PRO A 19 -11.006 -5.492 3.513 1.00 55.42 O ATOM 293 CB PRO A 19 -11.028 -8.400 3.986 1.00 43.20 C ATOM 294 CG PRO A 19 -12.151 -8.944 4.806 1.00 74.31 C ATOM 295 CD PRO A 19 -11.642 -8.977 6.223 1.00 2.41 C ATOM 0 HA PRO A 19 -9.288 -7.232 4.732 1.00 64.25 H new ATOM 0 HB2 PRO A 19 -11.393 -7.943 3.066 1.00 43.20 H new ATOM 0 HB3 PRO A 19 -10.330 -9.186 3.697 1.00 43.20 H new ATOM 0 HG2 PRO A 19 -13.037 -8.315 4.723 1.00 74.31 H new ATOM 0 HG3 PRO A 19 -12.435 -9.941 4.469 1.00 74.31 H new ATOM 0 HD2 PRO A 19 -12.443 -8.804 6.942 1.00 2.41 H new ATOM 0 HD3 PRO A 19 -11.197 -9.941 6.468 1.00 2.41 H new ATOM 303 N ALA A 20 -11.356 -5.280 5.724 1.00 74.32 N ATOM 304 CA ALA A 20 -12.005 -3.965 5.620 1.00 23.23 C ATOM 305 C ALA A 20 -10.992 -2.808 5.517 1.00 11.21 C ATOM 306 O ALA A 20 -11.374 -1.635 5.521 1.00 4.05 O ATOM 307 CB ALA A 20 -12.935 -3.751 6.810 1.00 21.44 C ATOM 0 H ALA A 20 -11.249 -5.618 6.681 1.00 74.32 H new ATOM 0 HA ALA A 20 -12.582 -3.961 4.695 1.00 23.23 H new ATOM 0 HB1 ALA A 20 -13.413 -2.775 6.727 1.00 21.44 H new ATOM 0 HB2 ALA A 20 -13.698 -4.529 6.820 1.00 21.44 H new ATOM 0 HB3 ALA A 20 -12.359 -3.796 7.734 1.00 21.44 H new ATOM 313 N PHE A 21 -9.708 -3.141 5.410 1.00 34.23 N ATOM 314 CA PHE A 21 -8.653 -2.131 5.254 1.00 44.33 C ATOM 315 C PHE A 21 -8.348 -1.888 3.768 1.00 54.35 C ATOM 316 O PHE A 21 -8.647 -2.730 2.918 1.00 22.05 O ATOM 317 CB PHE A 21 -7.367 -2.561 5.999 1.00 62.15 C ATOM 318 CG PHE A 21 -6.812 -3.910 5.578 1.00 60.55 C ATOM 319 CD1 PHE A 21 -6.296 -4.104 4.303 1.00 54.02 C ATOM 320 CD2 PHE A 21 -6.814 -4.989 6.456 1.00 32.12 C ATOM 321 CE1 PHE A 21 -5.803 -5.331 3.914 1.00 64.11 C ATOM 322 CE2 PHE A 21 -6.323 -6.219 6.064 1.00 13.45 C ATOM 323 CZ PHE A 21 -5.818 -6.388 4.794 1.00 74.32 C ATOM 0 H PHE A 21 -9.368 -4.103 5.428 1.00 34.23 H new ATOM 0 HA PHE A 21 -9.012 -1.200 5.692 1.00 44.33 H new ATOM 0 HB2 PHE A 21 -6.601 -1.802 5.841 1.00 62.15 H new ATOM 0 HB3 PHE A 21 -7.574 -2.586 7.069 1.00 62.15 H new ATOM 0 HD1 PHE A 21 -6.281 -3.280 3.605 1.00 54.02 H new ATOM 0 HD2 PHE A 21 -7.204 -4.864 7.455 1.00 32.12 H new ATOM 0 HE1 PHE A 21 -5.405 -5.462 2.919 1.00 64.11 H new ATOM 0 HE2 PHE A 21 -6.335 -7.049 6.754 1.00 13.45 H new ATOM 0 HZ PHE A 21 -5.434 -7.350 4.489 1.00 74.32 H new ATOM 333 N THR A 22 -7.759 -0.739 3.451 1.00 70.43 N ATOM 334 CA THR A 22 -7.376 -0.435 2.064 1.00 3.23 C ATOM 335 C THR A 22 -5.867 -0.609 1.853 1.00 3.45 C ATOM 336 O THR A 22 -5.069 -0.299 2.735 1.00 11.23 O ATOM 337 CB THR A 22 -7.780 1.003 1.645 1.00 4.13 C ATOM 338 OG1 THR A 22 -7.588 1.176 0.232 1.00 62.43 O ATOM 339 CG2 THR A 22 -6.969 2.053 2.392 1.00 11.22 C ATOM 0 H THR A 22 -7.536 -0.005 4.124 1.00 70.43 H new ATOM 0 HA THR A 22 -7.917 -1.144 1.438 1.00 3.23 H new ATOM 0 HB THR A 22 -8.832 1.136 1.898 1.00 4.13 H new ATOM 0 HG1 THR A 22 -7.847 2.086 -0.024 1.00 62.43 H new ATOM 0 HG21 THR A 22 -7.280 3.048 2.073 1.00 11.22 H new ATOM 0 HG22 THR A 22 -7.136 1.947 3.464 1.00 11.22 H new ATOM 0 HG23 THR A 22 -5.910 1.917 2.175 1.00 11.22 H new ATOM 347 N ILE A 23 -5.482 -1.120 0.690 1.00 2.23 N ATOM 348 CA ILE A 23 -4.064 -1.272 0.339 1.00 2.42 C ATOM 349 C ILE A 23 -3.700 -0.334 -0.822 1.00 43.22 C ATOM 350 O ILE A 23 -4.252 -0.445 -1.914 1.00 12.14 O ATOM 351 CB ILE A 23 -3.731 -2.737 -0.055 1.00 72.30 C ATOM 352 CG1 ILE A 23 -4.082 -3.699 1.098 1.00 51.23 C ATOM 353 CG2 ILE A 23 -2.258 -2.872 -0.446 1.00 42.24 C ATOM 354 CD1 ILE A 23 -3.804 -5.160 0.793 1.00 72.04 C ATOM 0 H ILE A 23 -6.129 -1.439 -0.032 1.00 2.23 H new ATOM 0 HA ILE A 23 -3.477 -1.010 1.219 1.00 2.42 H new ATOM 0 HB ILE A 23 -4.336 -3.005 -0.921 1.00 72.30 H new ATOM 0 HG12 ILE A 23 -3.516 -3.410 1.983 1.00 51.23 H new ATOM 0 HG13 ILE A 23 -5.138 -3.585 1.344 1.00 51.23 H new ATOM 0 HG21 ILE A 23 -2.047 -3.906 -0.718 1.00 42.24 H new ATOM 0 HG22 ILE A 23 -2.046 -2.223 -1.296 1.00 42.24 H new ATOM 0 HG23 ILE A 23 -1.630 -2.583 0.397 1.00 42.24 H new ATOM 0 HD11 ILE A 23 -4.078 -5.770 1.654 1.00 72.04 H new ATOM 0 HD12 ILE A 23 -4.391 -5.469 -0.072 1.00 72.04 H new ATOM 0 HD13 ILE A 23 -2.744 -5.291 0.578 1.00 72.04 H new ATOM 366 N LEU A 24 -2.766 0.585 -0.586 1.00 53.52 N ATOM 367 CA LEU A 24 -2.406 1.589 -1.598 1.00 63.04 C ATOM 368 C LEU A 24 -1.042 1.305 -2.239 1.00 24.33 C ATOM 369 O LEU A 24 -0.024 1.188 -1.551 1.00 14.22 O ATOM 370 CB LEU A 24 -2.397 2.996 -0.981 1.00 52.04 C ATOM 371 CG LEU A 24 -3.716 3.449 -0.335 1.00 12.45 C ATOM 372 CD1 LEU A 24 -3.635 4.913 0.087 1.00 13.31 C ATOM 373 CD2 LEU A 24 -4.897 3.225 -1.276 1.00 45.42 C ATOM 0 H LEU A 24 -2.246 0.660 0.288 1.00 53.52 H new ATOM 0 HA LEU A 24 -3.163 1.533 -2.380 1.00 63.04 H new ATOM 0 HB2 LEU A 24 -1.611 3.037 -0.226 1.00 52.04 H new ATOM 0 HB3 LEU A 24 -2.130 3.712 -1.758 1.00 52.04 H new ATOM 0 HG LEU A 24 -3.877 2.842 0.556 1.00 12.45 H new ATOM 0 HD11 LEU A 24 -4.579 5.213 0.542 1.00 13.31 H new ATOM 0 HD12 LEU A 24 -2.828 5.040 0.809 1.00 13.31 H new ATOM 0 HD13 LEU A 24 -3.440 5.534 -0.788 1.00 13.31 H new ATOM 0 HD21 LEU A 24 -5.816 3.555 -0.791 1.00 45.42 H new ATOM 0 HD22 LEU A 24 -4.745 3.795 -2.193 1.00 45.42 H new ATOM 0 HD23 LEU A 24 -4.974 2.165 -1.517 1.00 45.42 H new ATOM 385 N ASP A 25 -1.041 1.187 -3.561 1.00 21.24 N ATOM 386 CA ASP A 25 0.193 1.110 -4.342 1.00 24.40 C ATOM 387 C ASP A 25 0.734 2.519 -4.627 1.00 54.22 C ATOM 388 O ASP A 25 0.045 3.341 -5.228 1.00 4.20 O ATOM 389 CB ASP A 25 -0.071 0.355 -5.657 1.00 34.11 C ATOM 390 CG ASP A 25 0.771 0.869 -6.814 1.00 50.42 C ATOM 391 OD1 ASP A 25 2.009 0.787 -6.731 1.00 4.12 O ATOM 392 OD2 ASP A 25 0.197 1.342 -7.805 1.00 11.22 O ATOM 0 H ASP A 25 -1.891 1.142 -4.123 1.00 21.24 H new ATOM 0 HA ASP A 25 0.944 0.567 -3.769 1.00 24.40 H new ATOM 0 HB2 ASP A 25 0.133 -0.705 -5.509 1.00 34.11 H new ATOM 0 HB3 ASP A 25 -1.126 0.443 -5.915 1.00 34.11 H new ATOM 397 N VAL A 26 1.968 2.788 -4.199 1.00 71.13 N ATOM 398 CA VAL A 26 2.593 4.100 -4.409 1.00 73.43 C ATOM 399 C VAL A 26 3.815 4.017 -5.335 1.00 52.53 C ATOM 400 O VAL A 26 4.629 4.941 -5.392 1.00 22.44 O ATOM 401 CB VAL A 26 2.999 4.738 -3.059 1.00 33.40 C ATOM 402 CG1 VAL A 26 1.758 5.011 -2.212 1.00 14.21 C ATOM 403 CG2 VAL A 26 3.992 3.847 -2.310 1.00 22.12 C ATOM 0 H VAL A 26 2.556 2.117 -3.705 1.00 71.13 H new ATOM 0 HA VAL A 26 1.848 4.730 -4.895 1.00 73.43 H new ATOM 0 HB VAL A 26 3.495 5.688 -3.259 1.00 33.40 H new ATOM 0 HG11 VAL A 26 2.056 5.460 -1.264 1.00 14.21 H new ATOM 0 HG12 VAL A 26 1.097 5.694 -2.745 1.00 14.21 H new ATOM 0 HG13 VAL A 26 1.235 4.074 -2.021 1.00 14.21 H new ATOM 0 HG21 VAL A 26 4.262 4.318 -1.365 1.00 22.12 H new ATOM 0 HG22 VAL A 26 3.535 2.877 -2.115 1.00 22.12 H new ATOM 0 HG23 VAL A 26 4.888 3.711 -2.916 1.00 22.12 H new ATOM 413 N ARG A 27 3.928 2.920 -6.082 1.00 11.21 N ATOM 414 CA ARG A 27 5.027 2.748 -7.035 1.00 12.34 C ATOM 415 C ARG A 27 4.846 3.669 -8.251 1.00 21.13 C ATOM 416 O ARG A 27 5.593 4.634 -8.425 1.00 34.31 O ATOM 417 CB ARG A 27 5.120 1.285 -7.489 1.00 65.13 C ATOM 418 CG ARG A 27 5.505 0.306 -6.378 1.00 11.42 C ATOM 419 CD ARG A 27 5.141 -1.125 -6.748 1.00 70.10 C ATOM 420 NE ARG A 27 3.713 -1.248 -6.968 1.00 21.13 N ATOM 421 CZ ARG A 27 3.159 -2.087 -7.780 1.00 64.34 C ATOM 422 NH1 ARG A 27 3.852 -3.019 -8.355 1.00 35.34 N ATOM 423 NH2 ARG A 27 1.895 -2.002 -8.013 1.00 3.02 N ATOM 0 H ARG A 27 3.274 2.138 -6.047 1.00 11.21 H new ATOM 0 HA ARG A 27 5.955 3.020 -6.533 1.00 12.34 H new ATOM 0 HB2 ARG A 27 4.159 0.984 -7.906 1.00 65.13 H new ATOM 0 HB3 ARG A 27 5.853 1.212 -8.292 1.00 65.13 H new ATOM 0 HG2 ARG A 27 6.576 0.373 -6.187 1.00 11.42 H new ATOM 0 HG3 ARG A 27 4.999 0.585 -5.454 1.00 11.42 H new ATOM 0 HD2 ARG A 27 5.680 -1.422 -7.648 1.00 70.10 H new ATOM 0 HD3 ARG A 27 5.451 -1.802 -5.952 1.00 70.10 H new ATOM 0 HE ARG A 27 3.100 -0.625 -6.442 1.00 21.13 H new ATOM 0 HH11 ARG A 27 4.852 -3.099 -8.169 1.00 35.34 H new ATOM 0 HH12 ARG A 27 3.398 -3.672 -8.993 1.00 35.34 H new ATOM 0 HH21 ARG A 27 1.340 -1.277 -7.558 1.00 3.02 H new ATOM 0 HH22 ARG A 27 1.449 -2.660 -8.652 1.00 3.02 H new ATOM 437 N ASP A 28 3.844 3.369 -9.079 1.00 41.13 N ATOM 438 CA ASP A 28 3.533 4.184 -10.258 1.00 12.24 C ATOM 439 C ASP A 28 2.256 3.687 -10.947 1.00 40.21 C ATOM 440 O ASP A 28 1.878 2.526 -10.804 1.00 44.54 O ATOM 441 CB ASP A 28 4.691 4.167 -11.270 1.00 50.12 C ATOM 442 CG ASP A 28 4.493 5.184 -12.380 1.00 73.22 C ATOM 443 OD1 ASP A 28 4.772 6.380 -12.150 1.00 5.51 O ATOM 444 OD2 ASP A 28 4.032 4.800 -13.475 1.00 62.51 O ATOM 0 H ASP A 28 3.230 2.564 -8.955 1.00 41.13 H new ATOM 0 HA ASP A 28 3.381 5.206 -9.910 1.00 12.24 H new ATOM 0 HB2 ASP A 28 5.628 4.374 -10.752 1.00 50.12 H new ATOM 0 HB3 ASP A 28 4.779 3.171 -11.703 1.00 50.12 H new ATOM 449 N ARG A 29 1.621 4.574 -11.707 1.00 34.31 N ATOM 450 CA ARG A 29 0.445 4.227 -12.512 1.00 65.44 C ATOM 451 C ARG A 29 0.714 2.966 -13.361 1.00 43.00 C ATOM 452 O ARG A 29 -0.059 2.000 -13.366 1.00 4.23 O ATOM 453 CB ARG A 29 0.125 5.409 -13.440 1.00 31.52 C ATOM 454 CG ARG A 29 -1.277 5.384 -14.029 1.00 32.24 C ATOM 455 CD ARG A 29 -2.322 5.832 -13.010 1.00 51.31 C ATOM 456 NE ARG A 29 -1.991 7.142 -12.437 1.00 31.31 N ATOM 457 CZ ARG A 29 -2.855 7.973 -11.921 1.00 32.30 C ATOM 458 NH1 ARG A 29 -4.124 7.699 -11.913 1.00 24.30 N ATOM 459 NH2 ARG A 29 -2.444 9.094 -11.424 1.00 14.23 N ATOM 0 H ARG A 29 1.902 5.551 -11.785 1.00 34.31 H new ATOM 0 HA ARG A 29 -0.395 4.020 -11.850 1.00 65.44 H new ATOM 0 HB2 ARG A 29 0.256 6.337 -12.884 1.00 31.52 H new ATOM 0 HB3 ARG A 29 0.848 5.421 -14.255 1.00 31.52 H new ATOM 0 HG2 ARG A 29 -1.317 6.035 -14.902 1.00 32.24 H new ATOM 0 HG3 ARG A 29 -1.511 4.376 -14.372 1.00 32.24 H new ATOM 0 HD2 ARG A 29 -3.300 5.880 -13.488 1.00 51.31 H new ATOM 0 HD3 ARG A 29 -2.393 5.093 -12.212 1.00 51.31 H new ATOM 0 HE ARG A 29 -1.011 7.425 -12.442 1.00 31.31 H new ATOM 0 HH11 ARG A 29 -4.459 6.823 -12.314 1.00 24.30 H new ATOM 0 HH12 ARG A 29 -4.786 8.360 -11.506 1.00 24.30 H new ATOM 0 HH21 ARG A 29 -1.450 9.324 -11.437 1.00 14.23 H new ATOM 0 HH22 ARG A 29 -3.114 9.748 -11.019 1.00 14.23 H new ATOM 473 N SER A 30 1.848 2.993 -14.052 1.00 43.43 N ATOM 474 CA SER A 30 2.259 1.915 -14.950 1.00 41.44 C ATOM 475 C SER A 30 2.647 0.660 -14.170 1.00 4.13 C ATOM 476 O SER A 30 2.340 -0.458 -14.578 1.00 74.40 O ATOM 477 CB SER A 30 3.452 2.373 -15.790 1.00 20.15 C ATOM 478 OG SER A 30 4.613 2.521 -14.985 1.00 11.24 O ATOM 0 H SER A 30 2.512 3.766 -14.006 1.00 43.43 H new ATOM 0 HA SER A 30 1.415 1.673 -15.595 1.00 41.44 H new ATOM 0 HB2 SER A 30 3.644 1.649 -16.582 1.00 20.15 H new ATOM 0 HB3 SER A 30 3.218 3.321 -16.275 1.00 20.15 H new ATOM 0 HG SER A 30 4.506 3.297 -14.396 1.00 11.24 H new ATOM 484 N THR A 31 3.330 0.859 -13.044 1.00 44.13 N ATOM 485 CA THR A 31 3.780 -0.254 -12.204 1.00 75.14 C ATOM 486 C THR A 31 2.588 -0.975 -11.551 1.00 20.22 C ATOM 487 O THR A 31 2.637 -2.182 -11.305 1.00 63.21 O ATOM 488 CB THR A 31 4.761 0.225 -11.106 1.00 11.00 C ATOM 489 OG1 THR A 31 5.803 1.036 -11.682 1.00 21.40 O ATOM 490 CG2 THR A 31 5.396 -0.959 -10.390 1.00 3.01 C ATOM 0 H THR A 31 3.585 1.781 -12.690 1.00 44.13 H new ATOM 0 HA THR A 31 4.302 -0.953 -12.857 1.00 75.14 H new ATOM 0 HB THR A 31 4.191 0.814 -10.388 1.00 11.00 H new ATOM 0 HG1 THR A 31 6.414 1.333 -10.976 1.00 21.40 H new ATOM 0 HG21 THR A 31 6.081 -0.596 -9.624 1.00 3.01 H new ATOM 0 HG22 THR A 31 4.617 -1.563 -9.924 1.00 3.01 H new ATOM 0 HG23 THR A 31 5.945 -1.567 -11.109 1.00 3.01 H new ATOM 498 N TYR A 32 1.518 -0.225 -11.272 1.00 4.33 N ATOM 499 CA TYR A 32 0.248 -0.813 -10.825 1.00 4.54 C ATOM 500 C TYR A 32 -0.287 -1.786 -11.880 1.00 21.25 C ATOM 501 O TYR A 32 -0.592 -2.944 -11.587 1.00 43.04 O ATOM 502 CB TYR A 32 -0.800 0.285 -10.564 1.00 43.04 C ATOM 503 CG TYR A 32 -2.195 -0.259 -10.313 1.00 33.22 C ATOM 504 CD1 TYR A 32 -2.531 -0.838 -9.094 1.00 3.03 C ATOM 505 CD2 TYR A 32 -3.172 -0.208 -11.304 1.00 44.13 C ATOM 506 CE1 TYR A 32 -3.792 -1.353 -8.873 1.00 41.40 C ATOM 507 CE2 TYR A 32 -4.435 -0.715 -11.087 1.00 64.13 C ATOM 508 CZ TYR A 32 -4.741 -1.288 -9.874 1.00 71.12 C ATOM 509 OH TYR A 32 -5.998 -1.809 -9.665 1.00 50.33 O ATOM 0 H TYR A 32 1.504 0.792 -11.347 1.00 4.33 H new ATOM 0 HA TYR A 32 0.434 -1.352 -9.896 1.00 4.54 H new ATOM 0 HB2 TYR A 32 -0.489 0.877 -9.703 1.00 43.04 H new ATOM 0 HB3 TYR A 32 -0.830 0.959 -11.420 1.00 43.04 H new ATOM 0 HD1 TYR A 32 -1.793 -0.885 -8.307 1.00 3.03 H new ATOM 0 HD2 TYR A 32 -2.936 0.237 -12.259 1.00 44.13 H new ATOM 0 HE1 TYR A 32 -4.035 -1.804 -7.922 1.00 41.40 H new ATOM 0 HE2 TYR A 32 -5.181 -0.663 -11.866 1.00 64.13 H new ATOM 0 HH TYR A 32 -6.543 -1.680 -10.469 1.00 50.33 H new ATOM 519 N ASN A 33 -0.401 -1.294 -13.112 1.00 53.43 N ATOM 520 CA ASN A 33 -0.848 -2.114 -14.242 1.00 11.11 C ATOM 521 C ASN A 33 0.107 -3.295 -14.499 1.00 53.55 C ATOM 522 O ASN A 33 -0.325 -4.386 -14.860 1.00 23.11 O ATOM 523 CB ASN A 33 -0.979 -1.234 -15.491 1.00 21.43 C ATOM 524 CG ASN A 33 -2.088 -0.206 -15.341 1.00 32.51 C ATOM 525 OD1 ASN A 33 -3.108 -0.467 -14.710 1.00 31.11 O ATOM 526 ND2 ASN A 33 -1.898 0.970 -15.901 1.00 15.13 N ATOM 0 H ASN A 33 -0.189 -0.327 -13.356 1.00 53.43 H new ATOM 0 HA ASN A 33 -1.822 -2.539 -13.998 1.00 11.11 H new ATOM 0 HB2 ASN A 33 -0.034 -0.725 -15.678 1.00 21.43 H new ATOM 0 HB3 ASN A 33 -1.180 -1.862 -16.359 1.00 21.43 H new ATOM 0 HD21 ASN A 33 -2.610 1.696 -15.817 1.00 15.13 H new ATOM 0 HD22 ASN A 33 -1.039 1.155 -16.419 1.00 15.13 H new ATOM 533 N ASP A 34 1.400 -3.067 -14.297 1.00 31.42 N ATOM 534 CA ASP A 34 2.416 -4.113 -14.447 1.00 23.44 C ATOM 535 C ASP A 34 2.211 -5.244 -13.413 1.00 2.11 C ATOM 536 O ASP A 34 2.220 -6.429 -13.757 1.00 4.12 O ATOM 537 CB ASP A 34 3.804 -3.470 -14.282 1.00 41.01 C ATOM 538 CG ASP A 34 4.953 -4.392 -14.654 1.00 61.31 C ATOM 539 OD1 ASP A 34 5.302 -5.273 -13.849 1.00 51.45 O ATOM 540 OD2 ASP A 34 5.527 -4.221 -15.752 1.00 65.51 O ATOM 0 H ASP A 34 1.776 -2.158 -14.026 1.00 31.42 H new ATOM 0 HA ASP A 34 2.330 -4.563 -15.436 1.00 23.44 H new ATOM 0 HB2 ASP A 34 3.855 -2.573 -14.900 1.00 41.01 H new ATOM 0 HB3 ASP A 34 3.926 -3.151 -13.247 1.00 41.01 H new ATOM 545 N GLY A 35 2.005 -4.865 -12.153 1.00 13.31 N ATOM 546 CA GLY A 35 1.729 -5.844 -11.105 1.00 54.11 C ATOM 547 C GLY A 35 1.322 -5.189 -9.792 1.00 44.15 C ATOM 548 O GLY A 35 1.778 -4.096 -9.484 1.00 43.50 O ATOM 0 H GLY A 35 2.024 -3.896 -11.835 1.00 13.31 H new ATOM 0 HA2 GLY A 35 0.934 -6.513 -11.436 1.00 54.11 H new ATOM 0 HA3 GLY A 35 2.615 -6.458 -10.942 1.00 54.11 H new ATOM 552 N HIS A 36 0.457 -5.837 -9.018 1.00 2.25 N ATOM 553 CA HIS A 36 -0.031 -5.259 -7.756 1.00 60.41 C ATOM 554 C HIS A 36 -0.614 -6.326 -6.820 1.00 13.04 C ATOM 555 O HIS A 36 -0.958 -7.419 -7.252 1.00 41.12 O ATOM 556 CB HIS A 36 -1.091 -4.179 -8.040 1.00 14.50 C ATOM 557 CG HIS A 36 -2.280 -4.669 -8.818 1.00 74.41 C ATOM 558 ND1 HIS A 36 -2.391 -4.532 -10.184 1.00 3.21 N ATOM 559 CD2 HIS A 36 -3.420 -5.283 -8.416 1.00 23.20 C ATOM 560 CE1 HIS A 36 -3.541 -5.034 -10.587 1.00 64.23 C ATOM 561 NE2 HIS A 36 -4.184 -5.495 -9.536 1.00 1.43 N ATOM 0 H HIS A 36 0.077 -6.758 -9.235 1.00 2.25 H new ATOM 0 HA HIS A 36 0.825 -4.809 -7.254 1.00 60.41 H new ATOM 0 HB2 HIS A 36 -1.437 -3.767 -7.092 1.00 14.50 H new ATOM 0 HB3 HIS A 36 -0.623 -3.363 -8.590 1.00 14.50 H new ATOM 0 HD1 HIS A 36 -1.690 -4.107 -10.791 1.00 3.21 H new ATOM 0 HD2 HIS A 36 -3.679 -5.555 -7.403 1.00 23.20 H new ATOM 0 HE1 HIS A 36 -3.895 -5.062 -11.607 1.00 64.23 H new ATOM 570 N ILE A 37 -0.740 -5.991 -5.539 1.00 0.14 N ATOM 571 CA ILE A 37 -1.429 -6.864 -4.582 1.00 75.11 C ATOM 572 C ILE A 37 -2.905 -7.036 -4.978 1.00 4.45 C ATOM 573 O ILE A 37 -3.547 -6.084 -5.427 1.00 2.32 O ATOM 574 CB ILE A 37 -1.341 -6.294 -3.138 1.00 2.03 C ATOM 575 CG1 ILE A 37 0.114 -6.320 -2.639 1.00 31.43 C ATOM 576 CG2 ILE A 37 -2.261 -7.059 -2.185 1.00 31.44 C ATOM 577 CD1 ILE A 37 0.302 -5.744 -1.247 1.00 1.42 C ATOM 0 H ILE A 37 -0.377 -5.127 -5.137 1.00 0.14 H new ATOM 0 HA ILE A 37 -0.934 -7.835 -4.604 1.00 75.11 H new ATOM 0 HB ILE A 37 -1.678 -5.258 -3.160 1.00 2.03 H new ATOM 0 HG12 ILE A 37 0.471 -7.350 -2.646 1.00 31.43 H new ATOM 0 HG13 ILE A 37 0.737 -5.762 -3.339 1.00 31.43 H new ATOM 0 HG21 ILE A 37 -2.178 -6.638 -1.183 1.00 31.44 H new ATOM 0 HG22 ILE A 37 -3.292 -6.976 -2.529 1.00 31.44 H new ATOM 0 HG23 ILE A 37 -1.970 -8.109 -2.163 1.00 31.44 H new ATOM 0 HD11 ILE A 37 1.355 -5.799 -0.969 1.00 1.42 H new ATOM 0 HD12 ILE A 37 -0.022 -4.703 -1.237 1.00 1.42 H new ATOM 0 HD13 ILE A 37 -0.292 -6.315 -0.534 1.00 1.42 H new ATOM 589 N MET A 38 -3.434 -8.249 -4.831 1.00 42.23 N ATOM 590 CA MET A 38 -4.830 -8.523 -5.190 1.00 71.23 C ATOM 591 C MET A 38 -5.801 -7.620 -4.412 1.00 62.13 C ATOM 592 O MET A 38 -5.797 -7.596 -3.180 1.00 31.55 O ATOM 593 CB MET A 38 -5.172 -9.998 -4.946 1.00 74.40 C ATOM 594 CG MET A 38 -6.632 -10.344 -5.216 1.00 23.34 C ATOM 595 SD MET A 38 -6.953 -12.116 -5.115 1.00 10.22 S ATOM 596 CE MET A 38 -6.057 -12.709 -6.551 1.00 40.41 C ATOM 0 H MET A 38 -2.924 -9.055 -4.469 1.00 42.23 H new ATOM 0 HA MET A 38 -4.943 -8.304 -6.252 1.00 71.23 H new ATOM 0 HB2 MET A 38 -4.538 -10.618 -5.580 1.00 74.40 H new ATOM 0 HB3 MET A 38 -4.934 -10.250 -3.913 1.00 74.40 H new ATOM 0 HG2 MET A 38 -7.264 -9.822 -4.498 1.00 23.34 H new ATOM 0 HG3 MET A 38 -6.910 -9.984 -6.206 1.00 23.34 H new ATOM 0 HE1 MET A 38 -6.445 -13.685 -6.844 1.00 40.41 H new ATOM 0 HE2 MET A 38 -6.183 -12.006 -7.374 1.00 40.41 H new ATOM 0 HE3 MET A 38 -4.998 -12.797 -6.308 1.00 40.41 H new ATOM 606 N GLY A 39 -6.632 -6.882 -5.145 1.00 54.42 N ATOM 607 CA GLY A 39 -7.583 -5.966 -4.519 1.00 53.52 C ATOM 608 C GLY A 39 -6.940 -4.674 -4.012 1.00 53.23 C ATOM 609 O GLY A 39 -7.496 -3.997 -3.148 1.00 1.44 O ATOM 0 H GLY A 39 -6.667 -6.899 -6.164 1.00 54.42 H new ATOM 0 HA2 GLY A 39 -8.363 -5.717 -5.238 1.00 53.52 H new ATOM 0 HA3 GLY A 39 -8.069 -6.473 -3.685 1.00 53.52 H new ATOM 613 N ALA A 40 -5.765 -4.332 -4.544 1.00 20.03 N ATOM 614 CA ALA A 40 -5.077 -3.089 -4.166 1.00 24.12 C ATOM 615 C ALA A 40 -5.563 -1.890 -4.992 1.00 65.12 C ATOM 616 O ALA A 40 -6.139 -2.046 -6.071 1.00 3.52 O ATOM 617 CB ALA A 40 -3.566 -3.244 -4.311 1.00 12.12 C ATOM 0 H ALA A 40 -5.269 -4.894 -5.236 1.00 20.03 H new ATOM 0 HA ALA A 40 -5.318 -2.894 -3.121 1.00 24.12 H new ATOM 0 HB1 ALA A 40 -3.076 -2.313 -4.026 1.00 12.12 H new ATOM 0 HB2 ALA A 40 -3.219 -4.049 -3.664 1.00 12.12 H new ATOM 0 HB3 ALA A 40 -3.322 -3.480 -5.347 1.00 12.12 H new ATOM 623 N MET A 41 -5.306 -0.692 -4.475 1.00 62.20 N ATOM 624 CA MET A 41 -5.722 0.561 -5.116 1.00 22.12 C ATOM 625 C MET A 41 -4.572 1.199 -5.913 1.00 54.33 C ATOM 626 O MET A 41 -3.399 0.926 -5.656 1.00 1.33 O ATOM 627 CB MET A 41 -6.194 1.543 -4.041 1.00 43.01 C ATOM 628 CG MET A 41 -7.401 1.060 -3.249 1.00 11.53 C ATOM 629 SD MET A 41 -8.957 1.343 -4.117 1.00 2.12 S ATOM 630 CE MET A 41 -8.980 3.136 -4.197 1.00 33.14 C ATOM 0 H MET A 41 -4.803 -0.558 -3.598 1.00 62.20 H new ATOM 0 HA MET A 41 -6.531 0.334 -5.811 1.00 22.12 H new ATOM 0 HB2 MET A 41 -5.372 1.733 -3.351 1.00 43.01 H new ATOM 0 HB3 MET A 41 -6.439 2.494 -4.514 1.00 43.01 H new ATOM 0 HG2 MET A 41 -7.293 -0.005 -3.042 1.00 11.53 H new ATOM 0 HG3 MET A 41 -7.428 1.571 -2.286 1.00 11.53 H new ATOM 0 HE1 MET A 41 -9.966 3.500 -3.910 1.00 33.14 H new ATOM 0 HE2 MET A 41 -8.231 3.540 -3.516 1.00 33.14 H new ATOM 0 HE3 MET A 41 -8.756 3.458 -5.214 1.00 33.14 H new ATOM 640 N ALA A 42 -4.917 2.066 -6.865 1.00 54.14 N ATOM 641 CA ALA A 42 -3.915 2.767 -7.679 1.00 62.23 C ATOM 642 C ALA A 42 -3.712 4.216 -7.199 1.00 42.12 C ATOM 643 O ALA A 42 -4.482 5.114 -7.549 1.00 71.25 O ATOM 644 CB ALA A 42 -4.320 2.741 -9.149 1.00 62.35 C ATOM 0 H ALA A 42 -5.882 2.302 -7.094 1.00 54.14 H new ATOM 0 HA ALA A 42 -2.964 2.246 -7.565 1.00 62.23 H new ATOM 0 HB1 ALA A 42 -3.570 3.264 -9.742 1.00 62.35 H new ATOM 0 HB2 ALA A 42 -4.395 1.708 -9.487 1.00 62.35 H new ATOM 0 HB3 ALA A 42 -5.285 3.233 -9.269 1.00 62.35 H new ATOM 650 N MET A 43 -2.673 4.436 -6.393 1.00 31.33 N ATOM 651 CA MET A 43 -2.362 5.772 -5.860 1.00 35.11 C ATOM 652 C MET A 43 -0.855 6.037 -5.871 1.00 12.03 C ATOM 653 O MET A 43 -0.170 5.905 -4.857 1.00 21.13 O ATOM 654 CB MET A 43 -2.941 5.933 -4.450 1.00 0.51 C ATOM 655 CG MET A 43 -4.421 6.276 -4.456 1.00 34.12 C ATOM 656 SD MET A 43 -5.182 6.199 -2.831 1.00 23.11 S ATOM 657 CE MET A 43 -6.855 6.636 -3.279 1.00 64.41 C ATOM 0 H MET A 43 -2.027 3.706 -6.091 1.00 31.33 H new ATOM 0 HA MET A 43 -2.828 6.514 -6.509 1.00 35.11 H new ATOM 0 HB2 MET A 43 -2.789 5.009 -3.892 1.00 0.51 H new ATOM 0 HB3 MET A 43 -2.394 6.716 -3.925 1.00 0.51 H new ATOM 0 HG2 MET A 43 -4.552 7.279 -4.862 1.00 34.12 H new ATOM 0 HG3 MET A 43 -4.942 5.591 -5.125 1.00 34.12 H new ATOM 0 HE1 MET A 43 -7.448 6.779 -2.376 1.00 64.41 H new ATOM 0 HE2 MET A 43 -6.847 7.560 -3.858 1.00 64.41 H new ATOM 0 HE3 MET A 43 -7.292 5.837 -3.877 1.00 64.41 H new ATOM 667 N PRO A 44 -0.338 6.456 -7.032 1.00 20.30 N ATOM 668 CA PRO A 44 1.104 6.573 -7.252 1.00 23.21 C ATOM 669 C PRO A 44 1.719 7.706 -6.418 1.00 11.31 C ATOM 670 O PRO A 44 1.119 8.764 -6.260 1.00 73.44 O ATOM 671 CB PRO A 44 1.223 6.831 -8.761 1.00 51.51 C ATOM 672 CG PRO A 44 -0.117 7.337 -9.205 1.00 72.41 C ATOM 673 CD PRO A 44 -1.136 6.899 -8.185 1.00 2.23 C ATOM 0 HA PRO A 44 1.651 5.683 -6.940 1.00 23.21 H new ATOM 0 HB2 PRO A 44 2.004 7.562 -8.971 1.00 51.51 H new ATOM 0 HB3 PRO A 44 1.490 5.918 -9.292 1.00 51.51 H new ATOM 0 HG2 PRO A 44 -0.106 8.424 -9.291 1.00 72.41 H new ATOM 0 HG3 PRO A 44 -0.368 6.942 -10.189 1.00 72.41 H new ATOM 0 HD2 PRO A 44 -1.804 7.717 -7.915 1.00 2.23 H new ATOM 0 HD3 PRO A 44 -1.760 6.092 -8.569 1.00 2.23 H new ATOM 681 N ILE A 45 2.928 7.480 -5.908 1.00 35.22 N ATOM 682 CA ILE A 45 3.521 8.325 -4.855 1.00 43.32 C ATOM 683 C ILE A 45 3.415 9.848 -5.115 1.00 23.42 C ATOM 684 O ILE A 45 3.341 10.635 -4.166 1.00 74.52 O ATOM 685 CB ILE A 45 5.001 7.928 -4.615 1.00 2.23 C ATOM 686 CG1 ILE A 45 5.547 8.577 -3.330 1.00 42.34 C ATOM 687 CG2 ILE A 45 5.863 8.295 -5.824 1.00 52.04 C ATOM 688 CD1 ILE A 45 6.870 7.992 -2.880 1.00 12.04 C ATOM 0 H ILE A 45 3.528 6.711 -6.207 1.00 35.22 H new ATOM 0 HA ILE A 45 2.927 8.135 -3.961 1.00 43.32 H new ATOM 0 HB ILE A 45 5.043 6.847 -4.485 1.00 2.23 H new ATOM 0 HG12 ILE A 45 5.668 9.648 -3.495 1.00 42.34 H new ATOM 0 HG13 ILE A 45 4.815 8.458 -2.532 1.00 42.34 H new ATOM 0 HG21 ILE A 45 6.897 8.008 -5.634 1.00 52.04 H new ATOM 0 HG22 ILE A 45 5.496 7.769 -6.705 1.00 52.04 H new ATOM 0 HG23 ILE A 45 5.811 9.370 -5.995 1.00 52.04 H new ATOM 0 HD11 ILE A 45 7.199 8.493 -1.970 1.00 12.04 H new ATOM 0 HD12 ILE A 45 6.749 6.927 -2.684 1.00 12.04 H new ATOM 0 HD13 ILE A 45 7.616 8.134 -3.662 1.00 12.04 H new ATOM 700 N GLU A 46 3.396 10.271 -6.379 1.00 22.45 N ATOM 701 CA GLU A 46 3.276 11.704 -6.698 1.00 42.20 C ATOM 702 C GLU A 46 1.807 12.170 -6.784 1.00 54.42 C ATOM 703 O GLU A 46 1.499 13.331 -6.497 1.00 41.52 O ATOM 704 CB GLU A 46 4.059 12.054 -7.982 1.00 1.35 C ATOM 705 CG GLU A 46 3.975 11.018 -9.108 1.00 63.22 C ATOM 706 CD GLU A 46 2.600 10.908 -9.750 1.00 32.10 C ATOM 707 OE1 GLU A 46 2.160 11.882 -10.395 1.00 43.10 O ATOM 708 OE2 GLU A 46 1.957 9.848 -9.611 1.00 12.32 O ATOM 0 H GLU A 46 3.461 9.657 -7.191 1.00 22.45 H new ATOM 0 HA GLU A 46 3.724 12.253 -5.870 1.00 42.20 H new ATOM 0 HB2 GLU A 46 3.693 13.008 -8.361 1.00 1.35 H new ATOM 0 HB3 GLU A 46 5.107 12.196 -7.720 1.00 1.35 H new ATOM 0 HG2 GLU A 46 4.704 11.273 -9.877 1.00 63.22 H new ATOM 0 HG3 GLU A 46 4.258 10.043 -8.712 1.00 63.22 H new ATOM 715 N ASP A 47 0.907 11.264 -7.167 1.00 31.13 N ATOM 716 CA ASP A 47 -0.537 11.559 -7.228 1.00 71.23 C ATOM 717 C ASP A 47 -1.245 11.112 -5.930 1.00 53.25 C ATOM 718 O ASP A 47 -2.427 11.383 -5.719 1.00 71.22 O ATOM 719 CB ASP A 47 -1.150 10.837 -8.442 1.00 74.43 C ATOM 720 CG ASP A 47 -2.373 11.539 -9.014 1.00 52.33 C ATOM 721 OD1 ASP A 47 -2.410 12.788 -9.014 1.00 14.15 O ATOM 722 OD2 ASP A 47 -3.297 10.846 -9.493 1.00 12.23 O ATOM 0 H ASP A 47 1.148 10.312 -7.443 1.00 31.13 H new ATOM 0 HA ASP A 47 -0.675 12.635 -7.333 1.00 71.23 H new ATOM 0 HB2 ASP A 47 -0.394 10.749 -9.222 1.00 74.43 H new ATOM 0 HB3 ASP A 47 -1.426 9.824 -8.150 1.00 74.43 H new ATOM 727 N LEU A 48 -0.483 10.446 -5.064 1.00 53.52 N ATOM 728 CA LEU A 48 -0.999 9.808 -3.840 1.00 20.12 C ATOM 729 C LEU A 48 -1.864 10.737 -2.962 1.00 35.20 C ATOM 730 O LEU A 48 -3.050 10.475 -2.766 1.00 34.21 O ATOM 731 CB LEU A 48 0.183 9.275 -3.016 1.00 3.42 C ATOM 732 CG LEU A 48 -0.175 8.671 -1.649 1.00 2.54 C ATOM 733 CD1 LEU A 48 -1.036 7.421 -1.804 1.00 15.32 C ATOM 734 CD2 LEU A 48 1.088 8.366 -0.853 1.00 65.32 C ATOM 0 H LEU A 48 0.523 10.329 -5.188 1.00 53.52 H new ATOM 0 HA LEU A 48 -1.656 9.000 -4.163 1.00 20.12 H new ATOM 0 HB2 LEU A 48 0.699 8.516 -3.604 1.00 3.42 H new ATOM 0 HB3 LEU A 48 0.889 10.090 -2.859 1.00 3.42 H new ATOM 0 HG LEU A 48 -0.760 9.407 -1.098 1.00 2.54 H new ATOM 0 HD11 LEU A 48 -1.272 7.018 -0.819 1.00 15.32 H new ATOM 0 HD12 LEU A 48 -1.960 7.678 -2.322 1.00 15.32 H new ATOM 0 HD13 LEU A 48 -0.492 6.674 -2.381 1.00 15.32 H new ATOM 0 HD21 LEU A 48 0.816 7.939 0.112 1.00 65.32 H new ATOM 0 HD22 LEU A 48 1.703 7.654 -1.404 1.00 65.32 H new ATOM 0 HD23 LEU A 48 1.651 9.286 -0.697 1.00 65.32 H new ATOM 746 N VAL A 49 -1.264 11.801 -2.418 1.00 43.05 N ATOM 747 CA VAL A 49 -1.956 12.684 -1.460 1.00 55.41 C ATOM 748 C VAL A 49 -3.329 13.155 -1.979 1.00 2.31 C ATOM 749 O VAL A 49 -4.346 13.001 -1.299 1.00 74.11 O ATOM 750 CB VAL A 49 -1.088 13.923 -1.102 1.00 64.21 C ATOM 751 CG1 VAL A 49 -1.829 14.861 -0.146 1.00 11.31 C ATOM 752 CG2 VAL A 49 0.248 13.486 -0.502 1.00 33.20 C ATOM 0 H VAL A 49 -0.303 12.075 -2.621 1.00 43.05 H new ATOM 0 HA VAL A 49 -2.118 12.086 -0.563 1.00 55.41 H new ATOM 0 HB VAL A 49 -0.891 14.473 -2.022 1.00 64.21 H new ATOM 0 HG11 VAL A 49 -1.197 15.718 0.086 1.00 11.31 H new ATOM 0 HG12 VAL A 49 -2.750 15.206 -0.616 1.00 11.31 H new ATOM 0 HG13 VAL A 49 -2.069 14.328 0.774 1.00 11.31 H new ATOM 0 HG21 VAL A 49 0.842 14.366 -0.258 1.00 33.20 H new ATOM 0 HG22 VAL A 49 0.068 12.907 0.404 1.00 33.20 H new ATOM 0 HG23 VAL A 49 0.788 12.873 -1.224 1.00 33.20 H new ATOM 762 N ASP A 50 -3.348 13.719 -3.181 1.00 4.32 N ATOM 763 CA ASP A 50 -4.594 14.171 -3.816 1.00 15.32 C ATOM 764 C ASP A 50 -5.582 13.004 -4.011 1.00 23.30 C ATOM 765 O ASP A 50 -6.760 13.107 -3.655 1.00 33.11 O ATOM 766 CB ASP A 50 -4.291 14.840 -5.165 1.00 73.54 C ATOM 767 CG ASP A 50 -5.529 15.456 -5.801 1.00 14.13 C ATOM 768 OD1 ASP A 50 -5.883 16.601 -5.444 1.00 41.11 O ATOM 769 OD2 ASP A 50 -6.158 14.799 -6.656 1.00 20.14 O ATOM 0 H ASP A 50 -2.512 13.878 -3.744 1.00 4.32 H new ATOM 0 HA ASP A 50 -5.062 14.899 -3.153 1.00 15.32 H new ATOM 0 HB2 ASP A 50 -3.537 15.614 -5.022 1.00 73.54 H new ATOM 0 HB3 ASP A 50 -3.866 14.102 -5.845 1.00 73.54 H new ATOM 774 N ARG A 51 -5.093 11.893 -4.575 1.00 31.31 N ATOM 775 CA ARG A 51 -5.915 10.690 -4.775 1.00 45.02 C ATOM 776 C ARG A 51 -6.596 10.244 -3.475 1.00 14.42 C ATOM 777 O ARG A 51 -7.820 10.101 -3.412 1.00 14.24 O ATOM 778 CB ARG A 51 -5.057 9.531 -5.312 1.00 50.23 C ATOM 779 CG ARG A 51 -4.689 9.643 -6.786 1.00 74.22 C ATOM 780 CD ARG A 51 -5.923 9.581 -7.687 1.00 1.53 C ATOM 781 NE ARG A 51 -6.016 10.760 -8.547 1.00 33.31 N ATOM 782 CZ ARG A 51 -7.108 11.449 -8.753 1.00 32.15 C ATOM 783 NH1 ARG A 51 -8.231 11.109 -8.203 1.00 53.30 N ATOM 784 NH2 ARG A 51 -7.071 12.489 -9.514 1.00 31.21 N ATOM 0 H ARG A 51 -4.131 11.801 -4.902 1.00 31.31 H new ATOM 0 HA ARG A 51 -6.685 10.949 -5.502 1.00 45.02 H new ATOM 0 HB2 ARG A 51 -4.140 9.474 -4.726 1.00 50.23 H new ATOM 0 HB3 ARG A 51 -5.595 8.596 -5.155 1.00 50.23 H new ATOM 0 HG2 ARG A 51 -4.160 10.581 -6.958 1.00 74.22 H new ATOM 0 HG3 ARG A 51 -4.004 8.838 -7.052 1.00 74.22 H new ATOM 0 HD2 ARG A 51 -5.881 8.682 -8.302 1.00 1.53 H new ATOM 0 HD3 ARG A 51 -6.820 9.505 -7.073 1.00 1.53 H new ATOM 0 HE ARG A 51 -5.167 11.067 -9.021 1.00 33.31 H new ATOM 0 HH11 ARG A 51 -8.274 10.290 -7.596 1.00 53.30 H new ATOM 0 HH12 ARG A 51 -9.071 11.660 -8.377 1.00 53.30 H new ATOM 0 HH21 ARG A 51 -6.193 12.770 -9.951 1.00 31.21 H new ATOM 0 HH22 ARG A 51 -7.919 13.031 -9.679 1.00 31.21 H new ATOM 798 N ALA A 52 -5.796 10.025 -2.440 1.00 75.34 N ATOM 799 CA ALA A 52 -6.309 9.599 -1.140 1.00 41.32 C ATOM 800 C ALA A 52 -7.263 10.644 -0.544 1.00 73.33 C ATOM 801 O ALA A 52 -8.299 10.299 0.014 1.00 13.15 O ATOM 802 CB ALA A 52 -5.152 9.315 -0.192 1.00 63.42 C ATOM 0 H ALA A 52 -4.783 10.136 -2.474 1.00 75.34 H new ATOM 0 HA ALA A 52 -6.881 8.682 -1.281 1.00 41.32 H new ATOM 0 HB1 ALA A 52 -5.543 8.998 0.775 1.00 63.42 H new ATOM 0 HB2 ALA A 52 -4.527 8.525 -0.607 1.00 63.42 H new ATOM 0 HB3 ALA A 52 -4.556 10.219 -0.064 1.00 63.42 H new ATOM 808 N SER A 53 -6.911 11.922 -0.690 1.00 34.42 N ATOM 809 CA SER A 53 -7.749 13.030 -0.189 1.00 52.42 C ATOM 810 C SER A 53 -9.103 13.095 -0.913 1.00 52.12 C ATOM 811 O SER A 53 -10.047 13.726 -0.433 1.00 33.14 O ATOM 812 CB SER A 53 -7.018 14.374 -0.359 1.00 14.44 C ATOM 813 OG SER A 53 -7.798 15.464 0.121 1.00 74.12 O ATOM 0 H SER A 53 -6.052 12.223 -1.150 1.00 34.42 H new ATOM 0 HA SER A 53 -7.934 12.840 0.868 1.00 52.42 H new ATOM 0 HB2 SER A 53 -6.069 14.342 0.177 1.00 14.44 H new ATOM 0 HB3 SER A 53 -6.784 14.530 -1.412 1.00 14.44 H new ATOM 0 HG SER A 53 -8.743 15.205 0.143 1.00 74.12 H new ATOM 819 N SER A 54 -9.178 12.473 -2.089 1.00 21.04 N ATOM 820 CA SER A 54 -10.421 12.437 -2.878 1.00 54.20 C ATOM 821 C SER A 54 -11.232 11.157 -2.619 1.00 70.14 C ATOM 822 O SER A 54 -12.447 11.209 -2.422 1.00 43.01 O ATOM 823 CB SER A 54 -10.110 12.548 -4.380 1.00 45.41 C ATOM 824 OG SER A 54 -11.301 12.559 -5.154 1.00 72.32 O ATOM 0 H SER A 54 -8.394 11.985 -2.522 1.00 21.04 H new ATOM 0 HA SER A 54 -11.022 13.290 -2.562 1.00 54.20 H new ATOM 0 HB2 SER A 54 -9.542 13.459 -4.570 1.00 45.41 H new ATOM 0 HB3 SER A 54 -9.482 11.711 -4.686 1.00 45.41 H new ATOM 0 HG SER A 54 -11.073 12.632 -6.104 1.00 72.32 H new ATOM 830 N SER A 55 -10.556 10.012 -2.618 1.00 32.04 N ATOM 831 CA SER A 55 -11.232 8.706 -2.514 1.00 74.10 C ATOM 832 C SER A 55 -11.371 8.220 -1.064 1.00 74.34 C ATOM 833 O SER A 55 -12.397 7.655 -0.683 1.00 73.52 O ATOM 834 CB SER A 55 -10.455 7.654 -3.309 1.00 62.01 C ATOM 835 OG SER A 55 -10.243 8.064 -4.650 1.00 63.11 O ATOM 0 H SER A 55 -9.540 9.953 -2.688 1.00 32.04 H new ATOM 0 HA SER A 55 -12.235 8.841 -2.920 1.00 74.10 H new ATOM 0 HB2 SER A 55 -9.494 7.470 -2.828 1.00 62.01 H new ATOM 0 HB3 SER A 55 -11.002 6.712 -3.298 1.00 62.01 H new ATOM 0 HG SER A 55 -9.743 7.371 -5.129 1.00 63.11 H new ATOM 841 N LEU A 56 -10.333 8.430 -0.263 1.00 55.34 N ATOM 842 CA LEU A 56 -10.257 7.864 1.094 1.00 14.14 C ATOM 843 C LEU A 56 -10.476 8.918 2.182 1.00 70.20 C ATOM 844 O LEU A 56 -10.253 10.110 1.970 1.00 51.20 O ATOM 845 CB LEU A 56 -8.887 7.204 1.297 1.00 43.11 C ATOM 846 CG LEU A 56 -8.605 5.997 0.389 1.00 33.42 C ATOM 847 CD1 LEU A 56 -7.144 5.572 0.491 1.00 34.43 C ATOM 848 CD2 LEU A 56 -9.532 4.833 0.743 1.00 65.51 C ATOM 0 H LEU A 56 -9.523 8.991 -0.525 1.00 55.34 H new ATOM 0 HA LEU A 56 -11.056 7.128 1.184 1.00 14.14 H new ATOM 0 HB2 LEU A 56 -8.112 7.953 1.132 1.00 43.11 H new ATOM 0 HB3 LEU A 56 -8.805 6.885 2.336 1.00 43.11 H new ATOM 0 HG LEU A 56 -8.800 6.292 -0.642 1.00 33.42 H new ATOM 0 HD11 LEU A 56 -6.968 4.716 -0.160 1.00 34.43 H new ATOM 0 HD12 LEU A 56 -6.502 6.399 0.186 1.00 34.43 H new ATOM 0 HD13 LEU A 56 -6.916 5.297 1.521 1.00 34.43 H new ATOM 0 HD21 LEU A 56 -9.319 3.987 0.090 1.00 65.51 H new ATOM 0 HD22 LEU A 56 -9.370 4.541 1.781 1.00 65.51 H new ATOM 0 HD23 LEU A 56 -10.569 5.141 0.611 1.00 65.51 H new ATOM 860 N GLU A 57 -10.917 8.466 3.354 1.00 30.10 N ATOM 861 CA GLU A 57 -11.055 9.345 4.516 1.00 52.44 C ATOM 862 C GLU A 57 -9.757 9.429 5.307 1.00 74.35 C ATOM 863 O GLU A 57 -8.775 8.760 4.999 1.00 22.14 O ATOM 864 CB GLU A 57 -12.146 8.859 5.468 1.00 43.42 C ATOM 865 CG GLU A 57 -13.534 8.809 4.873 1.00 63.53 C ATOM 866 CD GLU A 57 -13.771 7.553 4.044 1.00 60.31 C ATOM 867 OE1 GLU A 57 -13.588 6.443 4.585 1.00 12.41 O ATOM 868 OE2 GLU A 57 -14.110 7.664 2.849 1.00 1.33 O ATOM 0 H GLU A 57 -11.185 7.497 3.525 1.00 30.10 H new ATOM 0 HA GLU A 57 -11.319 10.326 4.120 1.00 52.44 H new ATOM 0 HB2 GLU A 57 -11.882 7.862 5.821 1.00 43.42 H new ATOM 0 HB3 GLU A 57 -12.164 9.512 6.340 1.00 43.42 H new ATOM 0 HG2 GLU A 57 -14.271 8.855 5.675 1.00 63.53 H new ATOM 0 HG3 GLU A 57 -13.689 9.688 4.247 1.00 63.53 H new ATOM 875 N LYS A 58 -9.793 10.207 6.376 1.00 4.24 N ATOM 876 CA LYS A 58 -8.616 10.384 7.244 1.00 71.51 C ATOM 877 C LYS A 58 -8.587 9.274 8.306 1.00 1.32 C ATOM 878 O LYS A 58 -7.528 8.789 8.718 1.00 72.52 O ATOM 879 CB LYS A 58 -8.650 11.764 7.922 1.00 1.14 C ATOM 880 CG LYS A 58 -8.845 12.937 6.957 1.00 41.14 C ATOM 881 CD LYS A 58 -7.590 13.269 6.151 1.00 11.11 C ATOM 882 CE LYS A 58 -7.868 14.385 5.146 1.00 75.24 C ATOM 883 NZ LYS A 58 -6.655 14.801 4.394 1.00 60.11 N ATOM 0 H LYS A 58 -10.617 10.730 6.672 1.00 4.24 H new ATOM 0 HA LYS A 58 -7.715 10.323 6.634 1.00 71.51 H new ATOM 0 HB2 LYS A 58 -9.456 11.775 8.656 1.00 1.14 H new ATOM 0 HB3 LYS A 58 -7.718 11.910 8.469 1.00 1.14 H new ATOM 0 HG2 LYS A 58 -9.658 12.703 6.270 1.00 41.14 H new ATOM 0 HG3 LYS A 58 -9.149 13.818 7.523 1.00 41.14 H new ATOM 0 HD2 LYS A 58 -6.789 13.573 6.825 1.00 11.11 H new ATOM 0 HD3 LYS A 58 -7.244 12.379 5.626 1.00 11.11 H new ATOM 0 HE2 LYS A 58 -8.630 14.051 4.441 1.00 75.24 H new ATOM 0 HE3 LYS A 58 -8.277 15.248 5.672 1.00 75.24 H new ATOM 0 HZ1 LYS A 58 -6.652 15.835 4.285 1.00 60.11 H new ATOM 0 HZ2 LYS A 58 -5.805 14.505 4.915 1.00 60.11 H new ATOM 0 HZ3 LYS A 58 -6.658 14.354 3.455 1.00 60.11 H new ATOM 897 N SER A 59 -9.777 8.871 8.733 1.00 72.01 N ATOM 898 CA SER A 59 -9.955 7.794 9.717 1.00 40.01 C ATOM 899 C SER A 59 -9.938 6.410 9.054 1.00 5.25 C ATOM 900 O SER A 59 -10.010 5.383 9.733 1.00 74.43 O ATOM 901 CB SER A 59 -11.280 7.987 10.461 1.00 34.04 C ATOM 902 OG SER A 59 -12.369 8.055 9.551 1.00 4.45 O ATOM 0 H SER A 59 -10.654 9.279 8.409 1.00 72.01 H new ATOM 0 HA SER A 59 -9.121 7.843 10.418 1.00 40.01 H new ATOM 0 HB2 SER A 59 -11.434 7.162 11.157 1.00 34.04 H new ATOM 0 HB3 SER A 59 -11.239 8.901 11.054 1.00 34.04 H new ATOM 0 HG SER A 59 -13.204 8.177 10.049 1.00 4.45 H new ATOM 908 N ARG A 60 -9.842 6.391 7.727 1.00 1.04 N ATOM 909 CA ARG A 60 -9.811 5.144 6.959 1.00 14.41 C ATOM 910 C ARG A 60 -8.516 4.358 7.232 1.00 73.23 C ATOM 911 O ARG A 60 -7.425 4.909 7.143 1.00 11.02 O ATOM 912 CB ARG A 60 -9.934 5.456 5.458 1.00 23.01 C ATOM 913 CG ARG A 60 -9.899 4.224 4.554 1.00 52.50 C ATOM 914 CD ARG A 60 -11.039 3.260 4.866 1.00 4.23 C ATOM 915 NE ARG A 60 -12.352 3.886 4.723 1.00 3.34 N ATOM 916 CZ ARG A 60 -13.486 3.289 4.974 1.00 15.01 C ATOM 917 NH1 ARG A 60 -13.510 2.084 5.454 1.00 13.22 N ATOM 918 NH2 ARG A 60 -14.592 3.925 4.780 1.00 0.51 N ATOM 0 H ARG A 60 -9.784 7.233 7.154 1.00 1.04 H new ATOM 0 HA ARG A 60 -10.653 4.526 7.271 1.00 14.41 H new ATOM 0 HB2 ARG A 60 -10.867 5.992 5.286 1.00 23.01 H new ATOM 0 HB3 ARG A 60 -9.124 6.126 5.171 1.00 23.01 H new ATOM 0 HG2 ARG A 60 -9.962 4.536 3.512 1.00 52.50 H new ATOM 0 HG3 ARG A 60 -8.945 3.711 4.676 1.00 52.50 H new ATOM 0 HD2 ARG A 60 -10.976 2.399 4.201 1.00 4.23 H new ATOM 0 HD3 ARG A 60 -10.927 2.886 5.884 1.00 4.23 H new ATOM 0 HE ARG A 60 -12.385 4.855 4.406 1.00 3.34 H new ATOM 0 HH11 ARG A 60 -12.636 1.592 5.640 1.00 13.22 H new ATOM 0 HH12 ARG A 60 -14.403 1.629 5.646 1.00 13.22 H new ATOM 0 HH21 ARG A 60 -14.575 4.884 4.434 1.00 0.51 H new ATOM 0 HH22 ARG A 60 -15.483 3.468 4.973 1.00 0.51 H new ATOM 932 N ASP A 61 -8.651 3.077 7.576 1.00 40.35 N ATOM 933 CA ASP A 61 -7.486 2.218 7.823 1.00 2.23 C ATOM 934 C ASP A 61 -6.722 1.933 6.518 1.00 42.13 C ATOM 935 O ASP A 61 -7.182 1.178 5.655 1.00 71.44 O ATOM 936 CB ASP A 61 -7.922 0.911 8.496 1.00 41.54 C ATOM 937 CG ASP A 61 -8.585 1.154 9.842 1.00 4.41 C ATOM 938 OD1 ASP A 61 -7.867 1.444 10.825 1.00 72.42 O ATOM 939 OD2 ASP A 61 -9.829 1.065 9.924 1.00 31.34 O ATOM 0 H ASP A 61 -9.551 2.610 7.690 1.00 40.35 H new ATOM 0 HA ASP A 61 -6.809 2.745 8.495 1.00 2.23 H new ATOM 0 HB2 ASP A 61 -8.614 0.380 7.842 1.00 41.54 H new ATOM 0 HB3 ASP A 61 -7.054 0.266 8.631 1.00 41.54 H new ATOM 944 N ILE A 62 -5.553 2.558 6.383 1.00 3.41 N ATOM 945 CA ILE A 62 -4.772 2.509 5.145 1.00 62.33 C ATOM 946 C ILE A 62 -3.422 1.785 5.323 1.00 65.43 C ATOM 947 O ILE A 62 -2.622 2.132 6.192 1.00 55.21 O ATOM 948 CB ILE A 62 -4.498 3.945 4.629 1.00 21.32 C ATOM 949 CG1 ILE A 62 -5.824 4.691 4.371 1.00 72.25 C ATOM 950 CG2 ILE A 62 -3.639 3.912 3.368 1.00 73.44 C ATOM 951 CD1 ILE A 62 -5.648 6.134 3.941 1.00 12.13 C ATOM 0 H ILE A 62 -5.121 3.110 7.124 1.00 3.41 H new ATOM 0 HA ILE A 62 -5.367 1.947 4.425 1.00 62.33 H new ATOM 0 HB ILE A 62 -3.947 4.486 5.398 1.00 21.32 H new ATOM 0 HG12 ILE A 62 -6.384 4.159 3.602 1.00 72.25 H new ATOM 0 HG13 ILE A 62 -6.426 4.664 5.279 1.00 72.25 H new ATOM 0 HG21 ILE A 62 -3.459 4.930 3.023 1.00 73.44 H new ATOM 0 HG22 ILE A 62 -2.687 3.430 3.589 1.00 73.44 H new ATOM 0 HG23 ILE A 62 -4.157 3.352 2.590 1.00 73.44 H new ATOM 0 HD11 ILE A 62 -6.626 6.587 3.780 1.00 12.13 H new ATOM 0 HD12 ILE A 62 -5.117 6.683 4.719 1.00 12.13 H new ATOM 0 HD13 ILE A 62 -5.074 6.170 3.015 1.00 12.13 H new ATOM 963 N TYR A 63 -3.176 0.783 4.482 1.00 41.54 N ATOM 964 CA TYR A 63 -1.869 0.116 4.403 1.00 22.12 C ATOM 965 C TYR A 63 -1.200 0.411 3.051 1.00 61.11 C ATOM 966 O TYR A 63 -1.757 0.118 1.996 1.00 54.32 O ATOM 967 CB TYR A 63 -2.019 -1.398 4.600 1.00 73.40 C ATOM 968 CG TYR A 63 -2.302 -1.802 6.035 1.00 62.12 C ATOM 969 CD1 TYR A 63 -3.600 -1.835 6.536 1.00 11.25 C ATOM 970 CD2 TYR A 63 -1.262 -2.148 6.892 1.00 22.23 C ATOM 971 CE1 TYR A 63 -3.851 -2.203 7.845 1.00 51.51 C ATOM 972 CE2 TYR A 63 -1.506 -2.516 8.200 1.00 75.51 C ATOM 973 CZ TYR A 63 -2.799 -2.543 8.671 1.00 20.23 C ATOM 974 OH TYR A 63 -3.040 -2.908 9.975 1.00 23.41 O ATOM 0 H TYR A 63 -3.871 0.408 3.836 1.00 41.54 H new ATOM 0 HA TYR A 63 -1.237 0.506 5.201 1.00 22.12 H new ATOM 0 HB2 TYR A 63 -2.827 -1.760 3.964 1.00 73.40 H new ATOM 0 HB3 TYR A 63 -1.106 -1.891 4.267 1.00 73.40 H new ATOM 0 HD1 TYR A 63 -4.425 -1.569 5.892 1.00 11.25 H new ATOM 0 HD2 TYR A 63 -0.246 -2.128 6.527 1.00 22.23 H new ATOM 0 HE1 TYR A 63 -4.864 -2.224 8.219 1.00 51.51 H new ATOM 0 HE2 TYR A 63 -0.686 -2.782 8.851 1.00 75.51 H new ATOM 0 HH TYR A 63 -2.255 -2.700 10.523 1.00 23.41 H new ATOM 984 N VAL A 64 -0.005 0.994 3.087 1.00 10.13 N ATOM 985 CA VAL A 64 0.682 1.432 1.861 1.00 25.33 C ATOM 986 C VAL A 64 1.932 0.595 1.561 1.00 1.11 C ATOM 987 O VAL A 64 2.681 0.230 2.469 1.00 74.03 O ATOM 988 CB VAL A 64 1.083 2.923 1.969 1.00 1.31 C ATOM 989 CG1 VAL A 64 1.840 3.387 0.729 1.00 43.12 C ATOM 990 CG2 VAL A 64 -0.147 3.794 2.218 1.00 23.52 C ATOM 0 H VAL A 64 0.512 1.177 3.947 1.00 10.13 H new ATOM 0 HA VAL A 64 -0.022 1.293 1.041 1.00 25.33 H new ATOM 0 HB VAL A 64 1.755 3.028 2.821 1.00 1.31 H new ATOM 0 HG11 VAL A 64 2.107 4.438 0.838 1.00 43.12 H new ATOM 0 HG12 VAL A 64 2.746 2.793 0.613 1.00 43.12 H new ATOM 0 HG13 VAL A 64 1.209 3.262 -0.151 1.00 43.12 H new ATOM 0 HG21 VAL A 64 0.156 4.839 2.291 1.00 23.52 H new ATOM 0 HG22 VAL A 64 -0.849 3.676 1.393 1.00 23.52 H new ATOM 0 HG23 VAL A 64 -0.626 3.489 3.148 1.00 23.52 H new ATOM 1000 N TYR A 65 2.161 0.306 0.275 1.00 42.15 N ATOM 1001 CA TYR A 65 3.351 -0.440 -0.141 1.00 52.14 C ATOM 1002 C TYR A 65 3.970 0.143 -1.425 1.00 75.20 C ATOM 1003 O TYR A 65 3.281 0.392 -2.419 1.00 11.44 O ATOM 1004 CB TYR A 65 3.019 -1.932 -0.334 1.00 11.52 C ATOM 1005 CG TYR A 65 2.208 -2.254 -1.583 1.00 3.54 C ATOM 1006 CD1 TYR A 65 0.871 -1.891 -1.692 1.00 40.43 C ATOM 1007 CD2 TYR A 65 2.790 -2.926 -2.655 1.00 3.52 C ATOM 1008 CE1 TYR A 65 0.140 -2.187 -2.829 1.00 24.43 C ATOM 1009 CE2 TYR A 65 2.066 -3.224 -3.794 1.00 64.41 C ATOM 1010 CZ TYR A 65 0.741 -2.854 -3.875 1.00 21.43 C ATOM 1011 OH TYR A 65 0.015 -3.150 -5.010 1.00 51.35 O ATOM 0 H TYR A 65 1.542 0.576 -0.490 1.00 42.15 H new ATOM 0 HA TYR A 65 4.089 -0.345 0.655 1.00 52.14 H new ATOM 0 HB2 TYR A 65 3.952 -2.495 -0.369 1.00 11.52 H new ATOM 0 HB3 TYR A 65 2.468 -2.282 0.539 1.00 11.52 H new ATOM 0 HD1 TYR A 65 0.394 -1.369 -0.875 1.00 40.43 H new ATOM 0 HD2 TYR A 65 3.827 -3.220 -2.595 1.00 3.52 H new ATOM 0 HE1 TYR A 65 -0.898 -1.896 -2.897 1.00 24.43 H new ATOM 0 HE2 TYR A 65 2.536 -3.744 -4.616 1.00 64.41 H new ATOM 0 HH TYR A 65 0.613 -3.163 -5.787 1.00 51.35 H new ATOM 1021 N GLY A 66 5.274 0.378 -1.379 1.00 61.00 N ATOM 1022 CA GLY A 66 6.018 0.823 -2.552 1.00 33.11 C ATOM 1023 C GLY A 66 6.879 -0.288 -3.143 1.00 34.23 C ATOM 1024 O GLY A 66 6.677 -1.468 -2.848 1.00 65.13 O ATOM 0 H GLY A 66 5.842 0.268 -0.539 1.00 61.00 H new ATOM 0 HA2 GLY A 66 5.320 1.181 -3.309 1.00 33.11 H new ATOM 0 HA3 GLY A 66 6.653 1.666 -2.279 1.00 33.11 H new ATOM 1028 N ALA A 67 7.833 0.078 -3.995 1.00 22.33 N ATOM 1029 CA ALA A 67 8.798 -0.890 -4.533 1.00 0.30 C ATOM 1030 C ALA A 67 9.939 -1.131 -3.534 1.00 52.40 C ATOM 1031 O ALA A 67 10.510 -2.224 -3.466 1.00 25.25 O ATOM 1032 CB ALA A 67 9.349 -0.402 -5.870 1.00 32.23 C ATOM 0 H ALA A 67 7.962 1.033 -4.330 1.00 22.33 H new ATOM 0 HA ALA A 67 8.283 -1.837 -4.695 1.00 0.30 H new ATOM 0 HB1 ALA A 67 10.063 -1.129 -6.257 1.00 32.23 H new ATOM 0 HB2 ALA A 67 8.530 -0.284 -6.580 1.00 32.23 H new ATOM 0 HB3 ALA A 67 9.848 0.557 -5.730 1.00 32.23 H new ATOM 1038 N GLY A 68 10.256 -0.094 -2.759 1.00 44.20 N ATOM 1039 CA GLY A 68 11.296 -0.183 -1.736 1.00 63.23 C ATOM 1040 C GLY A 68 10.927 0.560 -0.452 1.00 73.12 C ATOM 1041 O GLY A 68 9.890 1.227 -0.390 1.00 5.02 O ATOM 0 H GLY A 68 9.806 0.819 -2.821 1.00 44.20 H new ATOM 0 HA2 GLY A 68 11.482 -1.232 -1.503 1.00 63.23 H new ATOM 0 HA3 GLY A 68 12.226 0.225 -2.133 1.00 63.23 H new ATOM 1045 N ASP A 69 11.778 0.443 0.567 1.00 42.45 N ATOM 1046 CA ASP A 69 11.541 1.074 1.871 1.00 43.21 C ATOM 1047 C ASP A 69 11.285 2.585 1.757 1.00 3.43 C ATOM 1048 O ASP A 69 10.289 3.089 2.274 1.00 54.00 O ATOM 1049 CB ASP A 69 12.743 0.831 2.783 1.00 5.15 C ATOM 1050 CG ASP A 69 13.009 -0.643 2.995 1.00 41.23 C ATOM 1051 OD1 ASP A 69 13.641 -1.276 2.124 1.00 14.13 O ATOM 1052 OD2 ASP A 69 12.583 -1.182 4.033 1.00 11.31 O ATOM 0 H ASP A 69 12.647 -0.088 0.516 1.00 42.45 H new ATOM 0 HA ASP A 69 10.643 0.621 2.291 1.00 43.21 H new ATOM 0 HB2 ASP A 69 13.627 1.300 2.350 1.00 5.15 H new ATOM 0 HB3 ASP A 69 12.569 1.310 3.747 1.00 5.15 H new ATOM 1057 N GLU A 70 12.174 3.298 1.063 1.00 20.02 N ATOM 1058 CA GLU A 70 12.069 4.758 0.933 1.00 51.42 C ATOM 1059 C GLU A 70 10.723 5.177 0.331 1.00 64.44 C ATOM 1060 O GLU A 70 10.013 6.012 0.889 1.00 31.14 O ATOM 1061 CB GLU A 70 13.206 5.297 0.054 1.00 22.43 C ATOM 1062 CG GLU A 70 13.138 6.800 -0.182 1.00 71.23 C ATOM 1063 CD GLU A 70 14.221 7.291 -1.126 1.00 33.31 C ATOM 1064 OE1 GLU A 70 15.324 7.624 -0.649 1.00 60.54 O ATOM 1065 OE2 GLU A 70 13.971 7.350 -2.348 1.00 4.50 O ATOM 0 H GLU A 70 12.976 2.891 0.581 1.00 20.02 H new ATOM 0 HA GLU A 70 12.144 5.180 1.935 1.00 51.42 H new ATOM 0 HB2 GLU A 70 14.161 5.054 0.521 1.00 22.43 H new ATOM 0 HB3 GLU A 70 13.183 4.786 -0.908 1.00 22.43 H new ATOM 0 HG2 GLU A 70 12.161 7.056 -0.591 1.00 71.23 H new ATOM 0 HG3 GLU A 70 13.230 7.319 0.772 1.00 71.23 H new ATOM 1072 N GLN A 71 10.378 4.585 -0.807 1.00 73.22 N ATOM 1073 CA GLN A 71 9.127 4.906 -1.499 1.00 34.24 C ATOM 1074 C GLN A 71 7.910 4.620 -0.606 1.00 41.42 C ATOM 1075 O GLN A 71 6.972 5.415 -0.536 1.00 63.33 O ATOM 1076 CB GLN A 71 9.026 4.097 -2.798 1.00 63.10 C ATOM 1077 CG GLN A 71 7.859 4.501 -3.694 1.00 52.41 C ATOM 1078 CD GLN A 71 7.883 3.785 -5.033 1.00 42.04 C ATOM 1079 OE1 GLN A 71 8.304 2.639 -5.129 1.00 43.34 O ATOM 1080 NE2 GLN A 71 7.436 4.456 -6.074 1.00 40.41 N ATOM 0 H GLN A 71 10.946 3.878 -1.274 1.00 73.22 H new ATOM 0 HA GLN A 71 9.132 5.970 -1.735 1.00 34.24 H new ATOM 0 HB2 GLN A 71 9.955 4.210 -3.357 1.00 63.10 H new ATOM 0 HB3 GLN A 71 8.930 3.040 -2.549 1.00 63.10 H new ATOM 0 HG2 GLN A 71 6.921 4.282 -3.185 1.00 52.41 H new ATOM 0 HG3 GLN A 71 7.888 5.578 -3.860 1.00 52.41 H new ATOM 0 HE21 GLN A 71 7.093 5.409 -5.957 1.00 40.41 H new ATOM 0 HE22 GLN A 71 7.433 4.022 -6.997 1.00 40.41 H new ATOM 1089 N THR A 72 7.947 3.481 0.082 1.00 13.23 N ATOM 1090 CA THR A 72 6.855 3.061 0.969 1.00 65.31 C ATOM 1091 C THR A 72 6.696 4.010 2.169 1.00 10.42 C ATOM 1092 O THR A 72 5.622 4.566 2.400 1.00 31.43 O ATOM 1093 CB THR A 72 7.102 1.624 1.500 1.00 1.45 C ATOM 1094 OG1 THR A 72 7.275 0.714 0.401 1.00 14.11 O ATOM 1095 CG2 THR A 72 5.953 1.146 2.378 1.00 73.45 C ATOM 0 H THR A 72 8.727 2.825 0.044 1.00 13.23 H new ATOM 0 HA THR A 72 5.941 3.087 0.376 1.00 65.31 H new ATOM 0 HB THR A 72 8.008 1.648 2.106 1.00 1.45 H new ATOM 0 HG1 THR A 72 8.179 0.811 0.035 1.00 14.11 H new ATOM 0 HG21 THR A 72 6.161 0.136 2.732 1.00 73.45 H new ATOM 0 HG22 THR A 72 5.845 1.815 3.232 1.00 73.45 H new ATOM 0 HG23 THR A 72 5.029 1.145 1.800 1.00 73.45 H new ATOM 1103 N SER A 73 7.781 4.205 2.913 1.00 74.53 N ATOM 1104 CA SER A 73 7.764 5.030 4.130 1.00 43.32 C ATOM 1105 C SER A 73 7.465 6.506 3.824 1.00 22.22 C ATOM 1106 O SER A 73 6.704 7.155 4.544 1.00 21.42 O ATOM 1107 CB SER A 73 9.105 4.915 4.866 1.00 31.53 C ATOM 1108 OG SER A 73 9.392 3.565 5.207 1.00 50.34 O ATOM 0 H SER A 73 8.693 3.802 2.697 1.00 74.53 H new ATOM 0 HA SER A 73 6.962 4.654 4.765 1.00 43.32 H new ATOM 0 HB2 SER A 73 9.903 5.311 4.237 1.00 31.53 H new ATOM 0 HB3 SER A 73 9.080 5.523 5.770 1.00 31.53 H new ATOM 0 HG SER A 73 8.942 3.337 6.047 1.00 50.34 H new ATOM 1114 N GLN A 74 8.053 7.027 2.748 1.00 1.54 N ATOM 1115 CA GLN A 74 7.843 8.412 2.341 1.00 12.03 C ATOM 1116 C GLN A 74 6.375 8.664 1.960 1.00 71.04 C ATOM 1117 O GLN A 74 5.783 9.661 2.365 1.00 33.32 O ATOM 1118 CB GLN A 74 8.785 8.749 1.176 1.00 32.12 C ATOM 1119 CG GLN A 74 8.289 9.879 0.295 1.00 22.35 C ATOM 1120 CD GLN A 74 9.241 10.234 -0.837 1.00 23.25 C ATOM 1121 OE1 GLN A 74 9.302 11.378 -1.272 1.00 42.40 O ATOM 1122 NE2 GLN A 74 9.988 9.263 -1.327 1.00 22.54 N ATOM 0 H GLN A 74 8.683 6.504 2.139 1.00 1.54 H new ATOM 0 HA GLN A 74 8.071 9.067 3.182 1.00 12.03 H new ATOM 0 HB2 GLN A 74 9.763 9.016 1.577 1.00 32.12 H new ATOM 0 HB3 GLN A 74 8.924 7.858 0.564 1.00 32.12 H new ATOM 0 HG2 GLN A 74 7.323 9.601 -0.128 1.00 22.35 H new ATOM 0 HG3 GLN A 74 8.125 10.763 0.911 1.00 22.35 H new ATOM 0 HE21 GLN A 74 9.915 8.320 -0.944 1.00 22.54 H new ATOM 0 HE22 GLN A 74 10.639 9.455 -2.089 1.00 22.54 H new ATOM 1131 N ALA A 75 5.793 7.755 1.187 1.00 15.12 N ATOM 1132 CA ALA A 75 4.378 7.843 0.825 1.00 31.01 C ATOM 1133 C ALA A 75 3.488 7.881 2.075 1.00 14.13 C ATOM 1134 O ALA A 75 2.624 8.750 2.218 1.00 34.13 O ATOM 1135 CB ALA A 75 4.009 6.664 -0.058 1.00 70.42 C ATOM 0 H ALA A 75 6.277 6.946 0.797 1.00 15.12 H new ATOM 0 HA ALA A 75 4.213 8.770 0.276 1.00 31.01 H new ATOM 0 HB1 ALA A 75 2.955 6.728 -0.329 1.00 70.42 H new ATOM 0 HB2 ALA A 75 4.618 6.682 -0.962 1.00 70.42 H new ATOM 0 HB3 ALA A 75 4.189 5.735 0.482 1.00 70.42 H new ATOM 1141 N VAL A 76 3.714 6.932 2.979 1.00 60.21 N ATOM 1142 CA VAL A 76 3.027 6.908 4.277 1.00 75.04 C ATOM 1143 C VAL A 76 3.282 8.202 5.078 1.00 30.54 C ATOM 1144 O VAL A 76 2.416 8.665 5.826 1.00 75.42 O ATOM 1145 CB VAL A 76 3.470 5.678 5.112 1.00 40.02 C ATOM 1146 CG1 VAL A 76 2.779 5.649 6.474 1.00 54.53 C ATOM 1147 CG2 VAL A 76 3.190 4.391 4.342 1.00 11.20 C ATOM 0 H VAL A 76 4.370 6.164 2.840 1.00 60.21 H new ATOM 0 HA VAL A 76 1.958 6.836 4.075 1.00 75.04 H new ATOM 0 HB VAL A 76 4.543 5.759 5.288 1.00 40.02 H new ATOM 0 HG11 VAL A 76 3.112 4.774 7.033 1.00 54.53 H new ATOM 0 HG12 VAL A 76 3.032 6.552 7.029 1.00 54.53 H new ATOM 0 HG13 VAL A 76 1.699 5.600 6.333 1.00 54.53 H new ATOM 0 HG21 VAL A 76 3.505 3.535 4.938 1.00 11.20 H new ATOM 0 HG22 VAL A 76 2.123 4.316 4.135 1.00 11.20 H new ATOM 0 HG23 VAL A 76 3.742 4.402 3.402 1.00 11.20 H new ATOM 1157 N ASN A 77 4.475 8.775 4.922 1.00 25.15 N ATOM 1158 CA ASN A 77 4.805 10.070 5.533 1.00 65.34 C ATOM 1159 C ASN A 77 3.902 11.173 4.968 1.00 30.21 C ATOM 1160 O ASN A 77 3.355 11.995 5.702 1.00 14.13 O ATOM 1161 CB ASN A 77 6.273 10.423 5.263 1.00 71.53 C ATOM 1162 CG ASN A 77 6.704 11.698 5.964 1.00 53.15 C ATOM 1163 OD1 ASN A 77 7.112 11.678 7.117 1.00 11.44 O ATOM 1164 ND2 ASN A 77 6.628 12.815 5.269 1.00 41.13 N ATOM 0 H ASN A 77 5.233 8.365 4.377 1.00 25.15 H new ATOM 0 HA ASN A 77 4.644 9.994 6.608 1.00 65.34 H new ATOM 0 HB2 ASN A 77 6.907 9.600 5.591 1.00 71.53 H new ATOM 0 HB3 ASN A 77 6.425 10.534 4.189 1.00 71.53 H new ATOM 0 HD21 ASN A 77 6.914 13.699 5.691 1.00 41.13 H new ATOM 0 HD22 ASN A 77 6.283 12.796 4.309 1.00 41.13 H new ATOM 1171 N LEU A 78 3.757 11.164 3.652 1.00 54.32 N ATOM 1172 CA LEU A 78 2.928 12.133 2.937 1.00 4.12 C ATOM 1173 C LEU A 78 1.448 12.007 3.332 1.00 22.22 C ATOM 1174 O LEU A 78 0.761 13.009 3.527 1.00 70.53 O ATOM 1175 CB LEU A 78 3.121 11.913 1.433 1.00 11.41 C ATOM 1176 CG LEU A 78 4.561 12.147 0.948 1.00 42.33 C ATOM 1177 CD1 LEU A 78 4.811 11.452 -0.383 1.00 52.44 C ATOM 1178 CD2 LEU A 78 4.863 13.640 0.847 1.00 50.23 C ATOM 0 H LEU A 78 4.211 10.483 3.044 1.00 54.32 H new ATOM 0 HA LEU A 78 3.235 13.144 3.205 1.00 4.12 H new ATOM 0 HB2 LEU A 78 2.826 10.894 1.184 1.00 11.41 H new ATOM 0 HB3 LEU A 78 2.452 12.580 0.890 1.00 11.41 H new ATOM 0 HG LEU A 78 5.237 11.712 1.684 1.00 42.33 H new ATOM 0 HD11 LEU A 78 5.837 11.635 -0.702 1.00 52.44 H new ATOM 0 HD12 LEU A 78 4.652 10.380 -0.269 1.00 52.44 H new ATOM 0 HD13 LEU A 78 4.123 11.843 -1.133 1.00 52.44 H new ATOM 0 HD21 LEU A 78 5.887 13.782 0.502 1.00 50.23 H new ATOM 0 HD22 LEU A 78 4.175 14.103 0.140 1.00 50.23 H new ATOM 0 HD23 LEU A 78 4.743 14.103 1.827 1.00 50.23 H new ATOM 1190 N LEU A 79 0.969 10.771 3.468 1.00 11.05 N ATOM 1191 CA LEU A 79 -0.417 10.527 3.891 1.00 43.20 C ATOM 1192 C LEU A 79 -0.660 10.961 5.342 1.00 50.14 C ATOM 1193 O LEU A 79 -1.625 11.669 5.626 1.00 63.34 O ATOM 1194 CB LEU A 79 -0.793 9.051 3.714 1.00 24.12 C ATOM 1195 CG LEU A 79 -0.932 8.587 2.258 1.00 74.23 C ATOM 1196 CD1 LEU A 79 -1.311 7.111 2.192 1.00 74.51 C ATOM 1197 CD2 LEU A 79 -1.957 9.444 1.518 1.00 41.20 C ATOM 0 H LEU A 79 1.513 9.926 3.294 1.00 11.05 H new ATOM 0 HA LEU A 79 -1.055 11.134 3.249 1.00 43.20 H new ATOM 0 HB2 LEU A 79 -0.037 8.438 4.204 1.00 24.12 H new ATOM 0 HB3 LEU A 79 -1.736 8.867 4.230 1.00 24.12 H new ATOM 0 HG LEU A 79 0.034 8.708 1.767 1.00 74.23 H new ATOM 0 HD11 LEU A 79 -1.404 6.805 1.150 1.00 74.51 H new ATOM 0 HD12 LEU A 79 -0.538 6.515 2.678 1.00 74.51 H new ATOM 0 HD13 LEU A 79 -2.262 6.956 2.701 1.00 74.51 H new ATOM 0 HD21 LEU A 79 -2.042 9.100 0.487 1.00 41.20 H new ATOM 0 HD22 LEU A 79 -2.926 9.359 2.010 1.00 41.20 H new ATOM 0 HD23 LEU A 79 -1.636 10.485 1.528 1.00 41.20 H new ATOM 1209 N ARG A 80 0.209 10.544 6.264 1.00 22.01 N ATOM 1210 CA ARG A 80 0.072 10.959 7.666 1.00 34.44 C ATOM 1211 C ARG A 80 0.174 12.495 7.778 1.00 53.23 C ATOM 1212 O ARG A 80 -0.548 13.127 8.553 1.00 32.22 O ATOM 1213 CB ARG A 80 1.120 10.258 8.558 1.00 43.02 C ATOM 1214 CG ARG A 80 2.537 10.811 8.435 1.00 72.43 C ATOM 1215 CD ARG A 80 3.549 9.986 9.230 1.00 34.43 C ATOM 1216 NE ARG A 80 3.844 8.696 8.598 1.00 72.13 N ATOM 1217 CZ ARG A 80 4.814 7.896 8.979 1.00 42.14 C ATOM 1218 NH1 ARG A 80 5.514 8.164 10.033 1.00 15.31 N ATOM 1219 NH2 ARG A 80 5.059 6.808 8.321 1.00 34.12 N ATOM 0 H ARG A 80 1.002 9.931 6.074 1.00 22.01 H new ATOM 0 HA ARG A 80 -0.912 10.655 8.024 1.00 34.44 H new ATOM 0 HB2 ARG A 80 0.803 10.337 9.598 1.00 43.02 H new ATOM 0 HB3 ARG A 80 1.136 9.197 8.310 1.00 43.02 H new ATOM 0 HG2 ARG A 80 2.829 10.828 7.385 1.00 72.43 H new ATOM 0 HG3 ARG A 80 2.555 11.842 8.787 1.00 72.43 H new ATOM 0 HD2 ARG A 80 4.473 10.555 9.336 1.00 34.43 H new ATOM 0 HD3 ARG A 80 3.163 9.815 10.235 1.00 34.43 H new ATOM 0 HE ARG A 80 3.260 8.402 7.815 1.00 72.13 H new ATOM 0 HH11 ARG A 80 5.315 9.003 10.577 1.00 15.31 H new ATOM 0 HH12 ARG A 80 6.265 7.536 10.320 1.00 15.31 H new ATOM 0 HH21 ARG A 80 4.498 6.569 7.503 1.00 34.12 H new ATOM 0 HH22 ARG A 80 5.813 6.190 8.620 1.00 34.12 H new ATOM 1233 N SER A 81 1.055 13.094 6.970 1.00 42.14 N ATOM 1234 CA SER A 81 1.149 14.560 6.868 1.00 20.24 C ATOM 1235 C SER A 81 -0.131 15.148 6.257 1.00 14.42 C ATOM 1236 O SER A 81 -0.514 16.280 6.556 1.00 51.00 O ATOM 1237 CB SER A 81 2.362 14.970 6.017 1.00 52.45 C ATOM 1238 OG SER A 81 2.478 16.383 5.921 1.00 54.40 O ATOM 0 H SER A 81 1.714 12.590 6.377 1.00 42.14 H new ATOM 0 HA SER A 81 1.273 14.955 7.876 1.00 20.24 H new ATOM 0 HB2 SER A 81 3.271 14.558 6.456 1.00 52.45 H new ATOM 0 HB3 SER A 81 2.268 14.543 5.019 1.00 52.45 H new ATOM 0 HG SER A 81 3.259 16.611 5.375 1.00 54.40 H new ATOM 1244 N ALA A 82 -0.791 14.368 5.406 1.00 53.20 N ATOM 1245 CA ALA A 82 -2.056 14.780 4.786 1.00 63.23 C ATOM 1246 C ALA A 82 -3.262 14.519 5.713 1.00 62.15 C ATOM 1247 O ALA A 82 -4.392 14.381 5.251 1.00 55.23 O ATOM 1248 CB ALA A 82 -2.238 14.066 3.444 1.00 21.43 C ATOM 0 H ALA A 82 -0.472 13.441 5.126 1.00 53.20 H new ATOM 0 HA ALA A 82 -2.011 15.855 4.614 1.00 63.23 H new ATOM 0 HB1 ALA A 82 -3.179 14.377 2.991 1.00 21.43 H new ATOM 0 HB2 ALA A 82 -1.413 14.323 2.780 1.00 21.43 H new ATOM 0 HB3 ALA A 82 -2.252 12.988 3.604 1.00 21.43 H new ATOM 1254 N GLY A 83 -3.017 14.425 7.024 1.00 23.22 N ATOM 1255 CA GLY A 83 -4.112 14.369 7.995 1.00 74.43 C ATOM 1256 C GLY A 83 -4.634 12.959 8.272 1.00 1.45 C ATOM 1257 O GLY A 83 -5.236 12.716 9.319 1.00 32.43 O ATOM 0 H GLY A 83 -2.083 14.387 7.432 1.00 23.22 H new ATOM 0 HA2 GLY A 83 -3.774 14.810 8.933 1.00 74.43 H new ATOM 0 HA3 GLY A 83 -4.936 14.984 7.633 1.00 74.43 H new ATOM 1261 N PHE A 84 -4.431 12.044 7.326 1.00 63.34 N ATOM 1262 CA PHE A 84 -4.848 10.643 7.481 1.00 43.43 C ATOM 1263 C PHE A 84 -4.365 10.023 8.808 1.00 51.41 C ATOM 1264 O PHE A 84 -3.177 9.747 8.995 1.00 43.53 O ATOM 1265 CB PHE A 84 -4.343 9.813 6.294 1.00 52.33 C ATOM 1266 CG PHE A 84 -4.930 10.240 4.973 1.00 44.42 C ATOM 1267 CD1 PHE A 84 -6.136 9.717 4.537 1.00 43.22 C ATOM 1268 CD2 PHE A 84 -4.283 11.170 4.174 1.00 4.34 C ATOM 1269 CE1 PHE A 84 -6.684 10.113 3.334 1.00 45.33 C ATOM 1270 CE2 PHE A 84 -4.827 11.570 2.970 1.00 32.44 C ATOM 1271 CZ PHE A 84 -6.031 11.040 2.551 1.00 62.05 C ATOM 0 H PHE A 84 -3.977 12.246 6.435 1.00 63.34 H new ATOM 0 HA PHE A 84 -5.938 10.631 7.503 1.00 43.43 H new ATOM 0 HB2 PHE A 84 -3.257 9.890 6.242 1.00 52.33 H new ATOM 0 HB3 PHE A 84 -4.581 8.763 6.467 1.00 52.33 H new ATOM 0 HD1 PHE A 84 -6.654 8.991 5.146 1.00 43.22 H new ATOM 0 HD2 PHE A 84 -3.341 11.587 4.498 1.00 4.34 H new ATOM 0 HE1 PHE A 84 -7.625 9.696 3.006 1.00 45.33 H new ATOM 0 HE2 PHE A 84 -4.312 12.295 2.358 1.00 32.44 H new ATOM 0 HZ PHE A 84 -6.461 11.352 1.610 1.00 62.05 H new ATOM 1281 N GLU A 85 -5.313 9.810 9.718 1.00 44.10 N ATOM 1282 CA GLU A 85 -5.043 9.218 11.032 1.00 41.41 C ATOM 1283 C GLU A 85 -4.504 7.782 10.915 1.00 14.31 C ATOM 1284 O GLU A 85 -3.446 7.453 11.459 1.00 74.11 O ATOM 1285 CB GLU A 85 -6.330 9.193 11.868 1.00 73.03 C ATOM 1286 CG GLU A 85 -6.920 10.562 12.189 1.00 22.30 C ATOM 1287 CD GLU A 85 -8.161 10.454 13.067 1.00 65.54 C ATOM 1288 OE1 GLU A 85 -8.018 10.457 14.310 1.00 43.42 O ATOM 1289 OE2 GLU A 85 -9.282 10.336 12.524 1.00 13.52 O ATOM 0 H GLU A 85 -6.294 10.043 9.567 1.00 44.10 H new ATOM 0 HA GLU A 85 -4.284 9.834 11.514 1.00 41.41 H new ATOM 0 HB2 GLU A 85 -7.079 8.608 11.335 1.00 73.03 H new ATOM 0 HB3 GLU A 85 -6.126 8.674 12.804 1.00 73.03 H new ATOM 0 HG2 GLU A 85 -6.170 11.171 12.694 1.00 22.30 H new ATOM 0 HG3 GLU A 85 -7.175 11.074 11.261 1.00 22.30 H new ATOM 1296 N HIS A 86 -5.243 6.930 10.203 1.00 40.11 N ATOM 1297 CA HIS A 86 -4.933 5.492 10.151 1.00 1.52 C ATOM 1298 C HIS A 86 -4.110 5.118 8.905 1.00 51.33 C ATOM 1299 O HIS A 86 -4.669 4.738 7.879 1.00 75.45 O ATOM 1300 CB HIS A 86 -6.230 4.666 10.176 1.00 34.43 C ATOM 1301 CG HIS A 86 -7.081 4.884 11.394 1.00 60.34 C ATOM 1302 ND1 HIS A 86 -7.523 3.859 12.203 1.00 50.25 N ATOM 1303 CD2 HIS A 86 -7.583 6.018 11.933 1.00 64.42 C ATOM 1304 CE1 HIS A 86 -8.251 4.357 13.184 1.00 72.13 C ATOM 1305 NE2 HIS A 86 -8.302 5.662 13.043 1.00 75.34 N ATOM 0 H HIS A 86 -6.058 7.205 9.655 1.00 40.11 H new ATOM 0 HA HIS A 86 -4.331 5.264 11.030 1.00 1.52 H new ATOM 0 HB2 HIS A 86 -6.817 4.907 9.290 1.00 34.43 H new ATOM 0 HB3 HIS A 86 -5.974 3.608 10.111 1.00 34.43 H new ATOM 0 HD1 HIS A 86 -7.319 2.869 12.065 1.00 50.25 H new ATOM 0 HD2 HIS A 86 -7.443 7.021 11.557 1.00 64.42 H new ATOM 0 HE1 HIS A 86 -8.725 3.788 13.970 1.00 72.13 H new ATOM 1314 N VAL A 87 -2.785 5.237 8.990 1.00 63.32 N ATOM 1315 CA VAL A 87 -1.900 4.825 7.886 1.00 22.21 C ATOM 1316 C VAL A 87 -0.685 4.031 8.402 1.00 43.21 C ATOM 1317 O VAL A 87 -0.003 4.454 9.337 1.00 35.21 O ATOM 1318 CB VAL A 87 -1.386 6.039 7.064 1.00 32.31 C ATOM 1319 CG1 VAL A 87 -0.658 5.567 5.806 1.00 73.21 C ATOM 1320 CG2 VAL A 87 -2.525 6.986 6.700 1.00 21.12 C ATOM 0 H VAL A 87 -2.298 5.612 9.804 1.00 63.32 H new ATOM 0 HA VAL A 87 -2.505 4.189 7.239 1.00 22.21 H new ATOM 0 HB VAL A 87 -0.682 6.589 7.688 1.00 32.31 H new ATOM 0 HG11 VAL A 87 -0.306 6.432 5.244 1.00 73.21 H new ATOM 0 HG12 VAL A 87 0.193 4.947 6.089 1.00 73.21 H new ATOM 0 HG13 VAL A 87 -1.341 4.985 5.187 1.00 73.21 H new ATOM 0 HG21 VAL A 87 -2.131 7.824 6.125 1.00 21.12 H new ATOM 0 HG22 VAL A 87 -3.265 6.453 6.103 1.00 21.12 H new ATOM 0 HG23 VAL A 87 -2.994 7.359 7.611 1.00 21.12 H new ATOM 1330 N SER A 88 -0.417 2.884 7.782 1.00 35.42 N ATOM 1331 CA SER A 88 0.735 2.043 8.150 1.00 45.21 C ATOM 1332 C SER A 88 1.627 1.760 6.936 1.00 2.41 C ATOM 1333 O SER A 88 1.152 1.704 5.798 1.00 22.51 O ATOM 1334 CB SER A 88 0.263 0.717 8.757 1.00 45.31 C ATOM 1335 OG SER A 88 1.361 -0.122 9.084 1.00 4.33 O ATOM 0 H SER A 88 -0.980 2.509 7.019 1.00 35.42 H new ATOM 0 HA SER A 88 1.317 2.592 8.890 1.00 45.21 H new ATOM 0 HB2 SER A 88 -0.326 0.914 9.653 1.00 45.31 H new ATOM 0 HB3 SER A 88 -0.391 0.205 8.052 1.00 45.31 H new ATOM 0 HG SER A 88 1.516 -0.096 10.051 1.00 4.33 H new ATOM 1341 N GLU A 89 2.922 1.576 7.183 1.00 24.53 N ATOM 1342 CA GLU A 89 3.892 1.307 6.112 1.00 71.22 C ATOM 1343 C GLU A 89 4.271 -0.183 6.061 1.00 41.12 C ATOM 1344 O GLU A 89 4.680 -0.770 7.066 1.00 3.02 O ATOM 1345 CB GLU A 89 5.138 2.196 6.292 1.00 62.35 C ATOM 1346 CG GLU A 89 5.743 2.164 7.693 1.00 21.12 C ATOM 1347 CD GLU A 89 6.768 3.269 7.913 1.00 24.40 C ATOM 1348 OE1 GLU A 89 6.377 4.377 8.348 1.00 53.45 O ATOM 1349 OE2 GLU A 89 7.966 3.041 7.652 1.00 74.00 O ATOM 0 H GLU A 89 3.330 1.608 8.117 1.00 24.53 H new ATOM 0 HA GLU A 89 3.428 1.552 5.157 1.00 71.22 H new ATOM 0 HB2 GLU A 89 5.898 1.884 5.575 1.00 62.35 H new ATOM 0 HB3 GLU A 89 4.873 3.225 6.048 1.00 62.35 H new ATOM 0 HG2 GLU A 89 4.947 2.260 8.431 1.00 21.12 H new ATOM 0 HG3 GLU A 89 6.216 1.196 7.859 1.00 21.12 H new ATOM 1356 N LEU A 90 4.120 -0.789 4.884 1.00 43.14 N ATOM 1357 CA LEU A 90 4.372 -2.224 4.709 1.00 65.15 C ATOM 1358 C LEU A 90 5.868 -2.526 4.502 1.00 32.15 C ATOM 1359 O LEU A 90 6.562 -1.844 3.746 1.00 63.42 O ATOM 1360 CB LEU A 90 3.563 -2.763 3.518 1.00 63.44 C ATOM 1361 CG LEU A 90 3.608 -4.290 3.325 1.00 22.12 C ATOM 1362 CD1 LEU A 90 2.971 -5.003 4.514 1.00 25.21 C ATOM 1363 CD2 LEU A 90 2.920 -4.696 2.022 1.00 53.03 C ATOM 0 H LEU A 90 3.824 -0.310 4.034 1.00 43.14 H new ATOM 0 HA LEU A 90 4.055 -2.724 5.624 1.00 65.15 H new ATOM 0 HB2 LEU A 90 2.523 -2.460 3.640 1.00 63.44 H new ATOM 0 HB3 LEU A 90 3.929 -2.288 2.608 1.00 63.44 H new ATOM 0 HG LEU A 90 4.654 -4.592 3.264 1.00 22.12 H new ATOM 0 HD11 LEU A 90 3.013 -6.081 4.357 1.00 25.21 H new ATOM 0 HD12 LEU A 90 3.513 -4.747 5.425 1.00 25.21 H new ATOM 0 HD13 LEU A 90 1.931 -4.691 4.611 1.00 25.21 H new ATOM 0 HD21 LEU A 90 2.965 -5.779 1.909 1.00 53.03 H new ATOM 0 HD22 LEU A 90 1.878 -4.377 2.046 1.00 53.03 H new ATOM 0 HD23 LEU A 90 3.425 -4.222 1.181 1.00 53.03 H new ATOM 1375 N LYS A 91 6.351 -3.561 5.177 1.00 21.34 N ATOM 1376 CA LYS A 91 7.740 -4.004 5.047 1.00 52.32 C ATOM 1377 C LYS A 91 7.898 -5.011 3.896 1.00 70.13 C ATOM 1378 O LYS A 91 6.985 -5.781 3.595 1.00 53.45 O ATOM 1379 CB LYS A 91 8.212 -4.627 6.373 1.00 21.04 C ATOM 1380 CG LYS A 91 8.375 -3.626 7.521 1.00 65.33 C ATOM 1381 CD LYS A 91 9.785 -3.028 7.585 1.00 0.40 C ATOM 1382 CE LYS A 91 10.126 -2.175 6.365 1.00 54.33 C ATOM 1383 NZ LYS A 91 11.539 -1.724 6.387 1.00 44.30 N ATOM 0 H LYS A 91 5.797 -4.117 5.828 1.00 21.34 H new ATOM 0 HA LYS A 91 8.358 -3.137 4.816 1.00 52.32 H new ATOM 0 HB2 LYS A 91 7.498 -5.394 6.674 1.00 21.04 H new ATOM 0 HB3 LYS A 91 9.166 -5.128 6.206 1.00 21.04 H new ATOM 0 HG2 LYS A 91 7.648 -2.822 7.403 1.00 65.33 H new ATOM 0 HG3 LYS A 91 8.151 -4.122 8.465 1.00 65.33 H new ATOM 0 HD2 LYS A 91 9.875 -2.419 8.484 1.00 0.40 H new ATOM 0 HD3 LYS A 91 10.513 -3.835 7.672 1.00 0.40 H new ATOM 0 HE2 LYS A 91 9.942 -2.749 5.457 1.00 54.33 H new ATOM 0 HE3 LYS A 91 9.468 -1.307 6.333 1.00 54.33 H new ATOM 0 HZ1 LYS A 91 11.801 -1.357 5.450 1.00 44.30 H new ATOM 0 HZ2 LYS A 91 11.653 -0.973 7.097 1.00 44.30 H new ATOM 0 HZ3 LYS A 91 12.156 -2.526 6.629 1.00 44.30 H new ATOM 1397 N GLY A 92 9.060 -4.990 3.249 1.00 14.43 N ATOM 1398 CA GLY A 92 9.319 -5.880 2.123 1.00 54.45 C ATOM 1399 C GLY A 92 8.739 -5.364 0.806 1.00 14.00 C ATOM 1400 O GLY A 92 9.464 -5.184 -0.180 1.00 3.25 O ATOM 0 H GLY A 92 9.834 -4.369 3.484 1.00 14.43 H new ATOM 0 HA2 GLY A 92 10.395 -6.012 2.012 1.00 54.45 H new ATOM 0 HA3 GLY A 92 8.898 -6.862 2.339 1.00 54.45 H new ATOM 1404 N GLY A 93 7.430 -5.127 0.786 1.00 70.14 N ATOM 1405 CA GLY A 93 6.768 -4.647 -0.422 1.00 23.33 C ATOM 1406 C GLY A 93 6.121 -5.768 -1.230 1.00 0.21 C ATOM 1407 O GLY A 93 5.873 -6.857 -0.709 1.00 24.22 O ATOM 0 H GLY A 93 6.811 -5.258 1.586 1.00 70.14 H new ATOM 0 HA2 GLY A 93 6.006 -3.918 -0.147 1.00 23.33 H new ATOM 0 HA3 GLY A 93 7.495 -4.128 -1.047 1.00 23.33 H new ATOM 1411 N LEU A 94 5.863 -5.503 -2.510 1.00 23.23 N ATOM 1412 CA LEU A 94 5.189 -6.471 -3.389 1.00 41.34 C ATOM 1413 C LEU A 94 5.947 -7.813 -3.466 1.00 64.51 C ATOM 1414 O LEU A 94 5.359 -8.877 -3.281 1.00 20.23 O ATOM 1415 CB LEU A 94 5.027 -5.872 -4.794 1.00 61.15 C ATOM 1416 CG LEU A 94 4.223 -6.726 -5.792 1.00 24.23 C ATOM 1417 CD1 LEU A 94 2.801 -6.957 -5.288 1.00 65.03 C ATOM 1418 CD2 LEU A 94 4.205 -6.074 -7.171 1.00 24.41 C ATOM 0 H LEU A 94 6.109 -4.625 -2.967 1.00 23.23 H new ATOM 0 HA LEU A 94 4.208 -6.678 -2.962 1.00 41.34 H new ATOM 0 HB2 LEU A 94 4.542 -4.900 -4.702 1.00 61.15 H new ATOM 0 HB3 LEU A 94 6.019 -5.695 -5.211 1.00 61.15 H new ATOM 0 HG LEU A 94 4.715 -7.695 -5.879 1.00 24.23 H new ATOM 0 HD11 LEU A 94 2.253 -7.563 -6.010 1.00 65.03 H new ATOM 0 HD12 LEU A 94 2.834 -7.476 -4.330 1.00 65.03 H new ATOM 0 HD13 LEU A 94 2.299 -5.998 -5.164 1.00 65.03 H new ATOM 0 HD21 LEU A 94 3.632 -6.695 -7.859 1.00 24.41 H new ATOM 0 HD22 LEU A 94 3.745 -5.088 -7.102 1.00 24.41 H new ATOM 0 HD23 LEU A 94 5.226 -5.972 -7.539 1.00 24.41 H new ATOM 1430 N ALA A 95 7.250 -7.754 -3.745 1.00 70.04 N ATOM 1431 CA ALA A 95 8.096 -8.956 -3.811 1.00 73.12 C ATOM 1432 C ALA A 95 7.982 -9.830 -2.546 1.00 53.25 C ATOM 1433 O ALA A 95 7.901 -11.056 -2.643 1.00 61.03 O ATOM 1434 CB ALA A 95 9.549 -8.559 -4.048 1.00 71.31 C ATOM 0 H ALA A 95 7.748 -6.884 -3.930 1.00 70.04 H new ATOM 0 HA ALA A 95 7.738 -9.557 -4.647 1.00 73.12 H new ATOM 0 HB1 ALA A 95 10.168 -9.455 -4.095 1.00 71.31 H new ATOM 0 HB2 ALA A 95 9.628 -8.013 -4.988 1.00 71.31 H new ATOM 0 HB3 ALA A 95 9.891 -7.925 -3.230 1.00 71.31 H new ATOM 1440 N ALA A 96 7.975 -9.202 -1.367 1.00 63.13 N ATOM 1441 CA ALA A 96 7.817 -9.932 -0.094 1.00 63.02 C ATOM 1442 C ALA A 96 6.417 -10.554 0.017 1.00 43.01 C ATOM 1443 O ALA A 96 6.272 -11.732 0.357 1.00 54.53 O ATOM 1444 CB ALA A 96 8.085 -9.008 1.087 1.00 51.22 C ATOM 0 H ALA A 96 8.076 -8.193 -1.261 1.00 63.13 H new ATOM 0 HA ALA A 96 8.547 -10.741 -0.077 1.00 63.02 H new ATOM 0 HB1 ALA A 96 7.964 -9.563 2.018 1.00 51.22 H new ATOM 0 HB2 ALA A 96 9.103 -8.623 1.024 1.00 51.22 H new ATOM 0 HB3 ALA A 96 7.380 -8.177 1.066 1.00 51.22 H new ATOM 1450 N TRP A 97 5.394 -9.751 -0.284 1.00 51.11 N ATOM 1451 CA TRP A 97 4.004 -10.232 -0.354 1.00 61.53 C ATOM 1452 C TRP A 97 3.909 -11.496 -1.224 1.00 4.34 C ATOM 1453 O TRP A 97 3.217 -12.458 -0.893 1.00 24.15 O ATOM 1454 CB TRP A 97 3.118 -9.125 -0.945 1.00 23.34 C ATOM 1455 CG TRP A 97 1.670 -9.492 -1.055 1.00 41.31 C ATOM 1456 CD1 TRP A 97 1.042 -10.071 -2.121 1.00 22.11 C ATOM 1457 CD2 TRP A 97 0.667 -9.290 -0.060 1.00 2.31 C ATOM 1458 NE1 TRP A 97 -0.291 -10.241 -1.845 1.00 74.52 N ATOM 1459 CE2 TRP A 97 -0.546 -9.768 -0.587 1.00 44.51 C ATOM 1460 CE3 TRP A 97 0.680 -8.751 1.225 1.00 50.31 C ATOM 1461 CZ2 TRP A 97 -1.736 -9.721 0.129 1.00 13.20 C ATOM 1462 CZ3 TRP A 97 -0.500 -8.701 1.935 1.00 33.14 C ATOM 1463 CH2 TRP A 97 -1.694 -9.186 1.388 1.00 3.11 C ATOM 0 H TRP A 97 5.499 -8.757 -0.485 1.00 51.11 H new ATOM 0 HA TRP A 97 3.664 -10.483 0.651 1.00 61.53 H new ATOM 0 HB2 TRP A 97 3.209 -8.233 -0.326 1.00 23.34 H new ATOM 0 HB3 TRP A 97 3.492 -8.865 -1.935 1.00 23.34 H new ATOM 0 HD1 TRP A 97 1.524 -10.353 -3.045 1.00 22.11 H new ATOM 0 HE1 TRP A 97 -0.980 -10.653 -2.475 1.00 74.52 H new ATOM 0 HE3 TRP A 97 1.598 -8.379 1.656 1.00 50.31 H new ATOM 0 HZ2 TRP A 97 -2.659 -10.092 -0.292 1.00 13.20 H new ATOM 0 HZ3 TRP A 97 -0.504 -8.281 2.930 1.00 33.14 H new ATOM 0 HH2 TRP A 97 -2.601 -9.137 1.972 1.00 3.11 H new ATOM 1474 N LYS A 98 4.629 -11.474 -2.338 1.00 33.03 N ATOM 1475 CA LYS A 98 4.664 -12.593 -3.278 1.00 54.14 C ATOM 1476 C LYS A 98 5.568 -13.740 -2.782 1.00 23.43 C ATOM 1477 O LYS A 98 5.289 -14.914 -3.036 1.00 53.33 O ATOM 1478 CB LYS A 98 5.133 -12.073 -4.646 1.00 61.12 C ATOM 1479 CG LYS A 98 4.142 -11.093 -5.270 1.00 51.42 C ATOM 1480 CD LYS A 98 4.730 -10.314 -6.446 1.00 60.34 C ATOM 1481 CE LYS A 98 5.373 -11.228 -7.478 1.00 1.13 C ATOM 1482 NZ LYS A 98 5.455 -10.583 -8.815 1.00 52.14 N ATOM 0 H LYS A 98 5.206 -10.681 -2.618 1.00 33.03 H new ATOM 0 HA LYS A 98 3.660 -13.010 -3.364 1.00 54.14 H new ATOM 0 HB2 LYS A 98 6.100 -11.584 -4.533 1.00 61.12 H new ATOM 0 HB3 LYS A 98 5.279 -12.916 -5.321 1.00 61.12 H new ATOM 0 HG2 LYS A 98 3.262 -11.641 -5.608 1.00 51.42 H new ATOM 0 HG3 LYS A 98 3.806 -10.390 -4.508 1.00 51.42 H new ATOM 0 HD2 LYS A 98 3.943 -9.729 -6.922 1.00 60.34 H new ATOM 0 HD3 LYS A 98 5.473 -9.607 -6.076 1.00 60.34 H new ATOM 0 HE2 LYS A 98 6.374 -11.503 -7.146 1.00 1.13 H new ATOM 0 HE3 LYS A 98 4.798 -12.151 -7.555 1.00 1.13 H new ATOM 0 HZ1 LYS A 98 5.974 -11.203 -9.468 1.00 52.14 H new ATOM 0 HZ2 LYS A 98 4.495 -10.420 -9.181 1.00 52.14 H new ATOM 0 HZ3 LYS A 98 5.953 -9.674 -8.732 1.00 52.14 H new ATOM 1496 N ALA A 99 6.635 -13.398 -2.063 1.00 12.15 N ATOM 1497 CA ALA A 99 7.568 -14.400 -1.527 1.00 11.52 C ATOM 1498 C ALA A 99 6.910 -15.260 -0.436 1.00 14.53 C ATOM 1499 O ALA A 99 7.176 -16.459 -0.329 1.00 3.12 O ATOM 1500 CB ALA A 99 8.816 -13.715 -0.976 1.00 11.14 C ATOM 0 H ALA A 99 6.880 -12.434 -1.835 1.00 12.15 H new ATOM 0 HA ALA A 99 7.852 -15.061 -2.345 1.00 11.52 H new ATOM 0 HB1 ALA A 99 9.500 -14.467 -0.582 1.00 11.14 H new ATOM 0 HB2 ALA A 99 9.309 -13.160 -1.774 1.00 11.14 H new ATOM 0 HB3 ALA A 99 8.532 -13.029 -0.178 1.00 11.14 H new ATOM 1506 N ILE A 100 6.054 -14.639 0.376 1.00 20.52 N ATOM 1507 CA ILE A 100 5.326 -15.347 1.441 1.00 34.41 C ATOM 1508 C ILE A 100 4.112 -16.118 0.881 1.00 63.41 C ATOM 1509 O ILE A 100 3.383 -16.781 1.623 1.00 55.50 O ATOM 1510 CB ILE A 100 4.835 -14.355 2.529 1.00 63.04 C ATOM 1511 CG1 ILE A 100 3.771 -13.422 1.931 1.00 5.53 C ATOM 1512 CG2 ILE A 100 6.010 -13.554 3.100 1.00 30.21 C ATOM 1513 CD1 ILE A 100 3.195 -12.426 2.908 1.00 1.51 C ATOM 0 H ILE A 100 5.844 -13.642 0.320 1.00 20.52 H new ATOM 0 HA ILE A 100 6.023 -16.059 1.883 1.00 34.41 H new ATOM 0 HB ILE A 100 4.388 -14.916 3.350 1.00 63.04 H new ATOM 0 HG12 ILE A 100 4.210 -12.879 1.094 1.00 5.53 H new ATOM 0 HG13 ILE A 100 2.960 -14.028 1.527 1.00 5.53 H new ATOM 0 HG21 ILE A 100 5.645 -12.864 3.861 1.00 30.21 H new ATOM 0 HG22 ILE A 100 6.733 -14.237 3.546 1.00 30.21 H new ATOM 0 HG23 ILE A 100 6.489 -12.990 2.300 1.00 30.21 H new ATOM 0 HD11 ILE A 100 2.453 -11.808 2.403 1.00 1.51 H new ATOM 0 HD12 ILE A 100 2.723 -12.958 3.734 1.00 1.51 H new ATOM 0 HD13 ILE A 100 3.993 -11.792 3.294 1.00 1.51 H new ATOM 1525 N GLY A 101 3.897 -16.012 -0.434 1.00 23.12 N ATOM 1526 CA GLY A 101 2.780 -16.692 -1.080 1.00 43.44 C ATOM 1527 C GLY A 101 1.462 -15.928 -0.981 1.00 15.43 C ATOM 1528 O GLY A 101 0.415 -16.520 -0.719 1.00 3.33 O ATOM 0 H GLY A 101 4.481 -15.464 -1.066 1.00 23.12 H new ATOM 0 HA2 GLY A 101 3.021 -16.851 -2.131 1.00 43.44 H new ATOM 0 HA3 GLY A 101 2.655 -17.677 -0.629 1.00 43.44 H new ATOM 1532 N GLY A 102 1.514 -14.609 -1.156 1.00 64.10 N ATOM 1533 CA GLY A 102 0.300 -13.796 -1.185 1.00 3.44 C ATOM 1534 C GLY A 102 -0.313 -13.671 -2.582 1.00 10.21 C ATOM 1535 O GLY A 102 0.369 -13.885 -3.586 1.00 71.52 O ATOM 0 H GLY A 102 2.379 -14.083 -1.279 1.00 64.10 H new ATOM 0 HA2 GLY A 102 -0.437 -14.232 -0.510 1.00 3.44 H new ATOM 0 HA3 GLY A 102 0.529 -12.800 -0.806 1.00 3.44 H new ATOM 1539 N PRO A 103 -1.616 -13.334 -2.679 1.00 43.22 N ATOM 1540 CA PRO A 103 -2.313 -13.173 -3.969 1.00 22.42 C ATOM 1541 C PRO A 103 -1.998 -11.831 -4.663 1.00 61.03 C ATOM 1542 O PRO A 103 -2.094 -10.766 -4.044 1.00 65.34 O ATOM 1543 CB PRO A 103 -3.810 -13.238 -3.581 1.00 23.22 C ATOM 1544 CG PRO A 103 -3.849 -13.545 -2.112 1.00 42.15 C ATOM 1545 CD PRO A 103 -2.526 -13.105 -1.550 1.00 0.04 C ATOM 0 HA PRO A 103 -2.005 -13.935 -4.685 1.00 22.42 H new ATOM 0 HB2 PRO A 103 -4.309 -12.293 -3.794 1.00 23.22 H new ATOM 0 HB3 PRO A 103 -4.327 -14.008 -4.153 1.00 23.22 H new ATOM 0 HG2 PRO A 103 -4.671 -13.019 -1.627 1.00 42.15 H new ATOM 0 HG3 PRO A 103 -4.008 -14.610 -1.942 1.00 42.15 H new ATOM 0 HD2 PRO A 103 -2.541 -12.059 -1.245 1.00 0.04 H new ATOM 0 HD3 PRO A 103 -2.242 -13.688 -0.674 1.00 0.04 H new ATOM 1553 N THR A 104 -1.632 -11.879 -5.950 1.00 71.33 N ATOM 1554 CA THR A 104 -1.323 -10.657 -6.726 1.00 12.04 C ATOM 1555 C THR A 104 -1.958 -10.671 -8.127 1.00 40.11 C ATOM 1556 O THR A 104 -2.301 -11.728 -8.665 1.00 43.25 O ATOM 1557 CB THR A 104 0.202 -10.445 -6.887 1.00 53.02 C ATOM 1558 OG1 THR A 104 0.808 -11.596 -7.497 1.00 25.52 O ATOM 1559 CG2 THR A 104 0.863 -10.164 -5.544 1.00 21.44 C ATOM 0 H THR A 104 -1.541 -12.745 -6.481 1.00 71.33 H new ATOM 0 HA THR A 104 -1.750 -9.837 -6.149 1.00 12.04 H new ATOM 0 HB THR A 104 0.351 -9.579 -7.532 1.00 53.02 H new ATOM 0 HG1 THR A 104 1.458 -11.305 -8.170 1.00 25.52 H new ATOM 0 HG21 THR A 104 1.934 -10.019 -5.689 1.00 21.44 H new ATOM 0 HG22 THR A 104 0.431 -9.264 -5.107 1.00 21.44 H new ATOM 0 HG23 THR A 104 0.698 -11.008 -4.874 1.00 21.44 H new ATOM 1567 N GLU A 105 -2.090 -9.482 -8.716 1.00 1.34 N ATOM 1568 CA GLU A 105 -2.715 -9.303 -10.036 1.00 11.30 C ATOM 1569 C GLU A 105 -1.974 -8.245 -10.853 1.00 34.21 C ATOM 1570 O GLU A 105 -1.311 -7.366 -10.304 1.00 15.05 O ATOM 1571 CB GLU A 105 -4.180 -8.866 -9.889 1.00 73.01 C ATOM 1572 CG GLU A 105 -5.064 -9.884 -9.186 1.00 13.34 C ATOM 1573 CD GLU A 105 -6.408 -9.308 -8.760 1.00 22.41 C ATOM 1574 OE1 GLU A 105 -6.426 -8.245 -8.100 1.00 53.13 O ATOM 1575 OE2 GLU A 105 -7.453 -9.907 -9.089 1.00 22.23 O ATOM 0 H GLU A 105 -1.767 -8.611 -8.294 1.00 1.34 H new ATOM 0 HA GLU A 105 -2.665 -10.263 -10.550 1.00 11.30 H new ATOM 0 HB2 GLU A 105 -4.214 -7.928 -9.336 1.00 73.01 H new ATOM 0 HB3 GLU A 105 -4.590 -8.667 -10.879 1.00 73.01 H new ATOM 0 HG2 GLU A 105 -5.232 -10.732 -9.850 1.00 13.34 H new ATOM 0 HG3 GLU A 105 -4.543 -10.265 -8.308 1.00 13.34 H new ATOM 1582 N GLY A 106 -2.132 -8.312 -12.164 1.00 30.32 N ATOM 1583 CA GLY A 106 -1.486 -7.346 -13.049 1.00 43.11 C ATOM 1584 C GLY A 106 -1.508 -7.753 -14.515 1.00 43.31 C ATOM 1585 O GLY A 106 -1.635 -8.935 -14.843 1.00 3.43 O ATOM 0 H GLY A 106 -2.696 -9.017 -12.640 1.00 30.32 H new ATOM 0 HA2 GLY A 106 -1.980 -6.380 -12.941 1.00 43.11 H new ATOM 0 HA3 GLY A 106 -0.451 -7.212 -12.733 1.00 43.11 H new ATOM 1589 N ILE A 107 -1.390 -6.764 -15.398 1.00 71.40 N ATOM 1590 CA ILE A 107 -1.287 -7.006 -16.839 1.00 42.51 C ATOM 1591 C ILE A 107 -0.051 -7.855 -17.163 1.00 62.11 C ATOM 1592 O ILE A 107 -0.091 -8.724 -18.036 1.00 75.20 O ATOM 1593 CB ILE A 107 -1.211 -5.671 -17.634 1.00 3.23 C ATOM 1594 CG1 ILE A 107 -2.423 -4.780 -17.303 1.00 14.23 C ATOM 1595 CG2 ILE A 107 -1.124 -5.939 -19.140 1.00 22.44 C ATOM 1596 CD1 ILE A 107 -2.450 -3.470 -18.062 1.00 45.31 C ATOM 0 H ILE A 107 -1.363 -5.778 -15.139 1.00 71.40 H new ATOM 0 HA ILE A 107 -2.186 -7.545 -17.139 1.00 42.51 H new ATOM 0 HB ILE A 107 -0.306 -5.143 -17.335 1.00 3.23 H new ATOM 0 HG12 ILE A 107 -3.337 -5.333 -17.520 1.00 14.23 H new ATOM 0 HG13 ILE A 107 -2.424 -4.569 -16.234 1.00 14.23 H new ATOM 0 HG21 ILE A 107 -1.072 -4.991 -19.676 1.00 22.44 H new ATOM 0 HG22 ILE A 107 -0.231 -6.526 -19.354 1.00 22.44 H new ATOM 0 HG23 ILE A 107 -2.007 -6.490 -19.463 1.00 22.44 H new ATOM 0 HD11 ILE A 107 -3.333 -2.900 -17.773 1.00 45.31 H new ATOM 0 HD12 ILE A 107 -1.555 -2.895 -17.827 1.00 45.31 H new ATOM 0 HD13 ILE A 107 -2.482 -3.671 -19.133 1.00 45.31 H new ATOM 1608 N ILE A 108 1.054 -7.598 -16.460 1.00 4.04 N ATOM 1609 CA ILE A 108 2.272 -8.393 -16.652 1.00 23.24 C ATOM 1610 C ILE A 108 2.266 -9.674 -15.807 1.00 61.25 C ATOM 1611 O ILE A 108 2.741 -10.728 -16.245 1.00 30.51 O ATOM 1612 CB ILE A 108 3.541 -7.564 -16.347 1.00 43.51 C ATOM 1613 CG1 ILE A 108 3.534 -6.271 -17.181 1.00 0.11 C ATOM 1614 CG2 ILE A 108 4.809 -8.381 -16.616 1.00 22.13 C ATOM 1615 CD1 ILE A 108 3.340 -6.499 -18.664 1.00 23.45 C ATOM 0 H ILE A 108 1.133 -6.858 -15.763 1.00 4.04 H new ATOM 0 HA ILE A 108 2.288 -8.684 -17.702 1.00 23.24 H new ATOM 0 HB ILE A 108 3.538 -7.299 -15.290 1.00 43.51 H new ATOM 0 HG12 ILE A 108 2.740 -5.620 -16.817 1.00 0.11 H new ATOM 0 HG13 ILE A 108 4.475 -5.744 -17.024 1.00 0.11 H new ATOM 0 HG21 ILE A 108 5.687 -7.774 -16.393 1.00 22.13 H new ATOM 0 HG22 ILE A 108 4.811 -9.268 -15.983 1.00 22.13 H new ATOM 0 HG23 ILE A 108 4.832 -8.682 -17.663 1.00 22.13 H new ATOM 0 HD11 ILE A 108 3.347 -5.541 -19.183 1.00 23.45 H new ATOM 0 HD12 ILE A 108 4.148 -7.124 -19.045 1.00 23.45 H new ATOM 0 HD13 ILE A 108 2.385 -6.997 -18.834 1.00 23.45 H new ATOM 1627 N GLU A 109 1.721 -9.580 -14.605 1.00 22.23 N ATOM 1628 CA GLU A 109 1.611 -10.743 -13.713 1.00 11.32 C ATOM 1629 C GLU A 109 0.625 -11.776 -14.275 1.00 5.24 C ATOM 1630 O GLU A 109 -0.570 -11.763 -13.962 1.00 32.13 O ATOM 1631 CB GLU A 109 1.196 -10.332 -12.288 1.00 10.31 C ATOM 1632 CG GLU A 109 2.229 -9.470 -11.572 1.00 5.01 C ATOM 1633 CD GLU A 109 2.079 -9.493 -10.056 1.00 72.43 C ATOM 1634 OE1 GLU A 109 2.663 -10.397 -9.414 1.00 53.10 O ATOM 1635 OE2 GLU A 109 1.397 -8.608 -9.505 1.00 73.15 O ATOM 0 H GLU A 109 1.346 -8.715 -14.217 1.00 22.23 H new ATOM 0 HA GLU A 109 2.600 -11.198 -13.657 1.00 11.32 H new ATOM 0 HB2 GLU A 109 0.253 -9.788 -12.337 1.00 10.31 H new ATOM 0 HB3 GLU A 109 1.015 -11.231 -11.699 1.00 10.31 H new ATOM 0 HG2 GLU A 109 3.228 -9.815 -11.838 1.00 5.01 H new ATOM 0 HG3 GLU A 109 2.143 -8.442 -11.924 1.00 5.01 H new ATOM 1642 N SER A 110 1.137 -12.652 -15.137 1.00 11.31 N ATOM 1643 CA SER A 110 0.317 -13.684 -15.781 1.00 24.12 C ATOM 1644 C SER A 110 1.174 -14.843 -16.302 1.00 20.12 C ATOM 1645 O SER A 110 0.999 -15.991 -15.897 1.00 42.35 O ATOM 1646 CB SER A 110 -0.493 -13.077 -16.935 1.00 64.30 C ATOM 1647 OG SER A 110 -1.264 -14.061 -17.604 1.00 64.11 O ATOM 0 H SER A 110 2.120 -12.670 -15.409 1.00 11.31 H new ATOM 0 HA SER A 110 -0.364 -14.080 -15.028 1.00 24.12 H new ATOM 0 HB2 SER A 110 -1.151 -12.299 -16.549 1.00 64.30 H new ATOM 0 HB3 SER A 110 0.184 -12.600 -17.644 1.00 64.30 H new ATOM 0 HG SER A 110 -1.769 -13.642 -18.332 1.00 64.11 H new ATOM 1653 N ARG A 111 2.116 -14.534 -17.189 1.00 62.45 N ATOM 1654 CA ARG A 111 2.966 -15.563 -17.803 1.00 3.51 C ATOM 1655 C ARG A 111 4.382 -15.556 -17.201 1.00 44.44 C ATOM 1656 O ARG A 111 4.870 -14.524 -16.744 1.00 31.13 O ATOM 1657 CB ARG A 111 3.030 -15.382 -19.332 1.00 13.44 C ATOM 1658 CG ARG A 111 3.555 -14.020 -19.801 1.00 31.14 C ATOM 1659 CD ARG A 111 2.479 -12.938 -19.791 1.00 24.14 C ATOM 1660 NE ARG A 111 3.000 -11.659 -20.264 1.00 1.44 N ATOM 1661 CZ ARG A 111 2.399 -10.509 -20.111 1.00 12.22 C ATOM 1662 NH1 ARG A 111 1.232 -10.434 -19.553 1.00 44.10 N ATOM 1663 NH2 ARG A 111 2.963 -9.434 -20.551 1.00 24.35 N ATOM 0 H ARG A 111 2.314 -13.583 -17.501 1.00 62.45 H new ATOM 0 HA ARG A 111 2.515 -16.531 -17.587 1.00 3.51 H new ATOM 0 HB2 ARG A 111 3.666 -16.163 -19.749 1.00 13.44 H new ATOM 0 HB3 ARG A 111 2.031 -15.531 -19.743 1.00 13.44 H new ATOM 0 HG2 ARG A 111 4.380 -13.712 -19.158 1.00 31.14 H new ATOM 0 HG3 ARG A 111 3.957 -14.118 -20.810 1.00 31.14 H new ATOM 0 HD2 ARG A 111 1.645 -13.247 -20.421 1.00 24.14 H new ATOM 0 HD3 ARG A 111 2.089 -12.821 -18.780 1.00 24.14 H new ATOM 0 HE ARG A 111 3.897 -11.663 -20.749 1.00 1.44 H new ATOM 0 HH11 ARG A 111 0.768 -11.281 -19.225 1.00 44.10 H new ATOM 0 HH12 ARG A 111 0.777 -9.528 -19.442 1.00 44.10 H new ATOM 0 HH21 ARG A 111 3.870 -9.487 -21.014 1.00 24.35 H new ATOM 0 HH22 ARG A 111 2.501 -8.532 -20.436 1.00 24.35 H new ATOM 1677 N THR A 112 5.034 -16.722 -17.211 1.00 62.42 N ATOM 1678 CA THR A 112 6.379 -16.890 -16.618 1.00 4.32 C ATOM 1679 C THR A 112 7.321 -17.807 -17.471 1.00 3.25 C ATOM 1680 O THR A 112 8.153 -18.542 -16.935 1.00 74.12 O ATOM 1681 CB THR A 112 6.219 -17.541 -15.244 1.00 4.23 C ATOM 1682 OG1 THR A 112 5.165 -16.905 -14.497 1.00 35.42 O ATOM 1683 CG2 THR A 112 7.503 -17.504 -14.420 1.00 61.31 C ATOM 0 H THR A 112 4.655 -17.574 -17.625 1.00 62.42 H new ATOM 0 HA THR A 112 6.834 -15.901 -16.567 1.00 4.32 H new ATOM 0 HB THR A 112 5.968 -18.585 -15.431 1.00 4.23 H new ATOM 0 HG1 THR A 112 5.078 -17.337 -13.622 1.00 35.42 H new ATOM 0 HG21 THR A 112 7.330 -17.980 -13.455 1.00 61.31 H new ATOM 0 HG22 THR A 112 8.292 -18.037 -14.951 1.00 61.31 H new ATOM 0 HG23 THR A 112 7.806 -16.469 -14.265 1.00 61.31 H new ATOM 1691 N PRO A 113 7.218 -17.759 -18.806 1.00 20.24 N ATOM 1692 CA PRO A 113 8.005 -18.619 -19.709 1.00 2.23 C ATOM 1693 C PRO A 113 9.520 -18.345 -19.654 1.00 11.54 C ATOM 1694 O PRO A 113 10.066 -17.588 -20.463 1.00 23.23 O ATOM 1695 CB PRO A 113 7.435 -18.295 -21.101 1.00 54.34 C ATOM 1696 CG PRO A 113 6.798 -16.951 -20.950 1.00 3.23 C ATOM 1697 CD PRO A 113 6.323 -16.877 -19.526 1.00 71.21 C ATOM 0 HA PRO A 113 7.919 -19.670 -19.432 1.00 2.23 H new ATOM 0 HB2 PRO A 113 8.221 -18.278 -21.856 1.00 54.34 H new ATOM 0 HB3 PRO A 113 6.708 -19.044 -21.415 1.00 54.34 H new ATOM 0 HG2 PRO A 113 7.510 -16.155 -21.166 1.00 3.23 H new ATOM 0 HG3 PRO A 113 5.967 -16.832 -21.645 1.00 3.23 H new ATOM 0 HD2 PRO A 113 6.374 -15.858 -19.142 1.00 71.21 H new ATOM 0 HD3 PRO A 113 5.286 -17.201 -19.435 1.00 71.21 H new ATOM 1705 N ALA A 114 10.187 -18.960 -18.678 1.00 43.52 N ATOM 1706 CA ALA A 114 11.642 -18.839 -18.511 1.00 32.33 C ATOM 1707 C ALA A 114 12.165 -19.877 -17.503 1.00 3.24 C ATOM 1708 O ALA A 114 11.606 -20.031 -16.414 1.00 43.24 O ATOM 1709 CB ALA A 114 12.020 -17.427 -18.061 1.00 53.03 C ATOM 0 H ALA A 114 9.739 -19.555 -17.981 1.00 43.52 H new ATOM 0 HA ALA A 114 12.108 -19.031 -19.477 1.00 32.33 H new ATOM 0 HB1 ALA A 114 13.102 -17.360 -17.944 1.00 53.03 H new ATOM 0 HB2 ALA A 114 11.691 -16.706 -18.809 1.00 53.03 H new ATOM 0 HB3 ALA A 114 11.537 -17.207 -17.109 1.00 53.03 H new ATOM 1715 N GLY A 115 13.227 -20.597 -17.871 1.00 63.12 N ATOM 1716 CA GLY A 115 13.811 -21.586 -16.964 1.00 55.41 C ATOM 1717 C GLY A 115 14.286 -22.859 -17.660 1.00 44.35 C ATOM 1718 O GLY A 115 15.020 -23.657 -17.069 1.00 40.53 O ATOM 0 H GLY A 115 13.693 -20.516 -18.775 1.00 63.12 H new ATOM 0 HA2 GLY A 115 14.654 -21.133 -16.442 1.00 55.41 H new ATOM 0 HA3 GLY A 115 13.073 -21.851 -16.207 1.00 55.41 H new ATOM 1722 N ALA A 116 13.878 -23.054 -18.909 1.00 10.11 N ATOM 1723 CA ALA A 116 14.258 -24.249 -19.669 1.00 71.12 C ATOM 1724 C ALA A 116 15.721 -24.174 -20.132 1.00 11.02 C ATOM 1725 O ALA A 116 16.088 -23.297 -20.917 1.00 24.11 O ATOM 1726 CB ALA A 116 13.328 -24.423 -20.867 1.00 32.15 C ATOM 0 H ALA A 116 13.284 -22.402 -19.421 1.00 10.11 H new ATOM 0 HA ALA A 116 14.161 -25.115 -19.014 1.00 71.12 H new ATOM 0 HB1 ALA A 116 13.617 -25.313 -21.426 1.00 32.15 H new ATOM 0 HB2 ALA A 116 12.301 -24.532 -20.518 1.00 32.15 H new ATOM 0 HB3 ALA A 116 13.400 -23.549 -21.514 1.00 32.15 H new ATOM 1732 N ASP A 117 16.553 -25.097 -19.646 1.00 62.24 N ATOM 1733 CA ASP A 117 17.977 -25.125 -20.005 1.00 2.33 C ATOM 1734 C ASP A 117 18.687 -26.352 -19.410 1.00 45.31 C ATOM 1735 O ASP A 117 18.659 -26.565 -18.195 1.00 1.51 O ATOM 1736 CB ASP A 117 18.670 -23.844 -19.526 1.00 74.11 C ATOM 1737 CG ASP A 117 20.142 -23.812 -19.893 1.00 24.14 C ATOM 1738 OD1 ASP A 117 20.454 -23.772 -21.103 1.00 25.32 O ATOM 1739 OD2 ASP A 117 20.994 -23.842 -18.978 1.00 64.30 O ATOM 0 H ASP A 117 16.268 -25.836 -19.003 1.00 62.24 H new ATOM 0 HA ASP A 117 18.041 -25.190 -21.091 1.00 2.33 H new ATOM 0 HB2 ASP A 117 18.171 -22.979 -19.962 1.00 74.11 H new ATOM 0 HB3 ASP A 117 18.566 -23.760 -18.444 1.00 74.11 H new ATOM 1744 N ASP A 118 19.331 -27.143 -20.270 1.00 33.44 N ATOM 1745 CA ASP A 118 20.088 -28.318 -19.825 1.00 4.22 C ATOM 1746 C ASP A 118 21.011 -28.877 -20.927 1.00 73.14 C ATOM 1747 O ASP A 118 20.708 -28.795 -22.120 1.00 33.35 O ATOM 1748 CB ASP A 118 19.133 -29.418 -19.334 1.00 41.32 C ATOM 1749 CG ASP A 118 18.117 -29.831 -20.389 1.00 63.52 C ATOM 1750 OD1 ASP A 118 18.437 -30.713 -21.217 1.00 45.42 O ATOM 1751 OD2 ASP A 118 16.992 -29.285 -20.385 1.00 13.31 O ATOM 0 H ASP A 118 19.344 -26.993 -21.279 1.00 33.44 H new ATOM 0 HA ASP A 118 20.723 -27.991 -19.002 1.00 4.22 H new ATOM 0 HB2 ASP A 118 19.714 -30.290 -19.035 1.00 41.32 H new ATOM 0 HB3 ASP A 118 18.606 -29.066 -18.447 1.00 41.32 H new ATOM 1756 N TYR A 119 22.154 -29.410 -20.493 1.00 45.13 N ATOM 1757 CA TYR A 119 23.071 -30.180 -21.345 1.00 3.40 C ATOM 1758 C TYR A 119 24.291 -30.630 -20.532 1.00 12.35 C ATOM 1759 O TYR A 119 25.288 -29.911 -20.421 1.00 65.14 O ATOM 1760 CB TYR A 119 23.528 -29.391 -22.584 1.00 2.23 C ATOM 1761 CG TYR A 119 24.373 -30.215 -23.543 1.00 50.11 C ATOM 1762 CD1 TYR A 119 24.041 -31.538 -23.825 1.00 11.43 C ATOM 1763 CD2 TYR A 119 25.501 -29.680 -24.156 1.00 2.55 C ATOM 1764 CE1 TYR A 119 24.804 -32.300 -24.687 1.00 75.13 C ATOM 1765 CE2 TYR A 119 26.270 -30.438 -25.022 1.00 74.04 C ATOM 1766 CZ TYR A 119 25.916 -31.747 -25.284 1.00 15.04 C ATOM 1767 OH TYR A 119 26.679 -32.508 -26.144 1.00 12.11 O ATOM 0 H TYR A 119 22.476 -29.320 -19.529 1.00 45.13 H new ATOM 0 HA TYR A 119 22.522 -31.051 -21.702 1.00 3.40 H new ATOM 0 HB2 TYR A 119 22.651 -29.018 -23.112 1.00 2.23 H new ATOM 0 HB3 TYR A 119 24.100 -28.521 -22.262 1.00 2.23 H new ATOM 0 HD1 TYR A 119 23.170 -31.976 -23.360 1.00 11.43 H new ATOM 0 HD2 TYR A 119 25.781 -28.657 -23.953 1.00 2.55 H new ATOM 0 HE1 TYR A 119 24.531 -33.324 -24.892 1.00 75.13 H new ATOM 0 HE2 TYR A 119 27.143 -30.008 -25.491 1.00 74.04 H new ATOM 0 HH TYR A 119 27.426 -31.971 -26.481 1.00 12.11 H new ATOM 1777 N ASN A 120 24.190 -31.813 -19.934 1.00 14.41 N ATOM 1778 CA ASN A 120 25.261 -32.354 -19.084 1.00 10.01 C ATOM 1779 C ASN A 120 25.568 -33.817 -19.423 1.00 51.12 C ATOM 1780 O ASN A 120 26.288 -34.499 -18.691 1.00 63.14 O ATOM 1781 CB ASN A 120 24.856 -32.228 -17.611 1.00 71.12 C ATOM 1782 CG ASN A 120 23.565 -32.966 -17.288 1.00 31.21 C ATOM 1783 OD1 ASN A 120 22.710 -33.168 -18.148 1.00 22.15 O ATOM 1784 ND2 ASN A 120 23.403 -33.355 -16.040 1.00 62.45 N ATOM 0 H ASN A 120 23.376 -32.422 -20.019 1.00 14.41 H new ATOM 0 HA ASN A 120 26.167 -31.777 -19.269 1.00 10.01 H new ATOM 0 HB2 ASN A 120 25.658 -32.617 -16.984 1.00 71.12 H new ATOM 0 HB3 ASN A 120 24.739 -31.174 -17.360 1.00 71.12 H new ATOM 0 HD21 ASN A 120 22.549 -33.839 -15.763 1.00 62.45 H new ATOM 0 HD22 ASN A 120 24.132 -33.172 -15.350 1.00 62.45 H new ATOM 1791 N VAL A 121 25.034 -34.288 -20.545 1.00 60.22 N ATOM 1792 CA VAL A 121 25.203 -35.685 -20.952 1.00 54.22 C ATOM 1793 C VAL A 121 26.384 -35.856 -21.919 1.00 22.32 C ATOM 1794 O VAL A 121 26.339 -35.399 -23.064 1.00 64.15 O ATOM 1795 CB VAL A 121 23.917 -36.234 -21.617 1.00 50.11 C ATOM 1796 CG1 VAL A 121 24.045 -37.733 -21.891 1.00 24.00 C ATOM 1797 CG2 VAL A 121 22.691 -35.937 -20.751 1.00 50.21 C ATOM 0 H VAL A 121 24.480 -33.726 -21.191 1.00 60.22 H new ATOM 0 HA VAL A 121 25.409 -36.252 -20.044 1.00 54.22 H new ATOM 0 HB VAL A 121 23.785 -35.728 -22.573 1.00 50.11 H new ATOM 0 HG11 VAL A 121 23.130 -38.097 -22.358 1.00 24.00 H new ATOM 0 HG12 VAL A 121 24.888 -37.910 -22.558 1.00 24.00 H new ATOM 0 HG13 VAL A 121 24.208 -38.262 -20.952 1.00 24.00 H new ATOM 0 HG21 VAL A 121 21.798 -36.331 -21.237 1.00 50.21 H new ATOM 0 HG22 VAL A 121 22.812 -36.408 -19.776 1.00 50.21 H new ATOM 0 HG23 VAL A 121 22.588 -34.859 -20.623 1.00 50.21 H new ATOM 1807 N VAL A 122 27.441 -36.508 -21.444 1.00 14.25 N ATOM 1808 CA VAL A 122 28.615 -36.806 -22.269 1.00 44.24 C ATOM 1809 C VAL A 122 28.540 -38.233 -22.832 1.00 2.14 C ATOM 1810 O VAL A 122 28.048 -39.152 -22.171 1.00 73.11 O ATOM 1811 CB VAL A 122 29.935 -36.628 -21.471 1.00 52.55 C ATOM 1812 CG1 VAL A 122 30.105 -35.173 -21.032 1.00 55.43 C ATOM 1813 CG2 VAL A 122 29.983 -37.572 -20.265 1.00 25.13 C ATOM 0 H VAL A 122 27.512 -36.844 -20.484 1.00 14.25 H new ATOM 0 HA VAL A 122 28.615 -36.095 -23.095 1.00 44.24 H new ATOM 0 HB VAL A 122 30.765 -36.887 -22.128 1.00 52.55 H new ATOM 0 HG11 VAL A 122 31.035 -35.068 -20.474 1.00 55.43 H new ATOM 0 HG12 VAL A 122 30.134 -34.529 -21.911 1.00 55.43 H new ATOM 0 HG13 VAL A 122 29.267 -34.884 -20.398 1.00 55.43 H new ATOM 0 HG21 VAL A 122 30.918 -37.425 -19.725 1.00 25.13 H new ATOM 0 HG22 VAL A 122 29.144 -37.359 -19.602 1.00 25.13 H new ATOM 0 HG23 VAL A 122 29.921 -38.605 -20.608 1.00 25.13 H new ATOM 1823 N SER A 123 29.028 -38.418 -24.053 1.00 73.02 N ATOM 1824 CA SER A 123 28.949 -39.718 -24.733 1.00 63.31 C ATOM 1825 C SER A 123 30.319 -40.167 -25.265 1.00 24.10 C ATOM 1826 O SER A 123 30.851 -39.582 -26.213 1.00 32.32 O ATOM 1827 CB SER A 123 27.943 -39.644 -25.890 1.00 53.22 C ATOM 1828 OG SER A 123 27.867 -40.873 -26.595 1.00 23.43 O ATOM 0 H SER A 123 29.484 -37.687 -24.598 1.00 73.02 H new ATOM 0 HA SER A 123 28.616 -40.454 -24.001 1.00 63.31 H new ATOM 0 HB2 SER A 123 26.958 -39.386 -25.501 1.00 53.22 H new ATOM 0 HB3 SER A 123 28.234 -38.848 -26.575 1.00 53.22 H new ATOM 0 HG SER A 123 27.217 -40.792 -27.324 1.00 23.43 H new ATOM 1834 N ARG A 124 30.890 -41.203 -24.649 1.00 22.43 N ATOM 1835 CA ARG A 124 32.171 -41.763 -25.095 1.00 52.34 C ATOM 1836 C ARG A 124 32.346 -43.204 -24.590 1.00 1.53 C ATOM 1837 O ARG A 124 31.761 -43.594 -23.579 1.00 54.22 O ATOM 1838 CB ARG A 124 33.343 -40.882 -24.619 1.00 23.11 C ATOM 1839 CG ARG A 124 33.709 -41.030 -23.137 1.00 10.55 C ATOM 1840 CD ARG A 124 34.981 -41.857 -22.945 1.00 33.32 C ATOM 1841 NE ARG A 124 35.398 -41.903 -21.546 1.00 44.00 N ATOM 1842 CZ ARG A 124 36.608 -42.186 -21.143 1.00 32.11 C ATOM 1843 NH1 ARG A 124 37.545 -42.467 -21.992 1.00 52.44 N ATOM 1844 NH2 ARG A 124 36.877 -42.182 -19.880 1.00 63.15 N ATOM 0 H ARG A 124 30.487 -41.673 -23.839 1.00 22.43 H new ATOM 0 HA ARG A 124 32.170 -41.781 -26.185 1.00 52.34 H new ATOM 0 HB2 ARG A 124 34.222 -41.118 -25.219 1.00 23.11 H new ATOM 0 HB3 ARG A 124 33.095 -39.839 -24.813 1.00 23.11 H new ATOM 0 HG2 ARG A 124 33.848 -40.043 -22.697 1.00 10.55 H new ATOM 0 HG3 ARG A 124 32.884 -41.503 -22.605 1.00 10.55 H new ATOM 0 HD2 ARG A 124 34.812 -42.871 -23.306 1.00 33.32 H new ATOM 0 HD3 ARG A 124 35.784 -41.433 -23.549 1.00 33.32 H new ATOM 0 HE ARG A 124 34.696 -41.700 -20.834 1.00 44.00 H new ATOM 0 HH11 ARG A 124 37.343 -42.469 -22.992 1.00 52.44 H new ATOM 0 HH12 ARG A 124 38.485 -42.686 -21.661 1.00 52.44 H new ATOM 0 HH21 ARG A 124 36.147 -41.959 -19.204 1.00 63.15 H new ATOM 0 HH22 ARG A 124 37.820 -42.402 -19.559 1.00 63.15 H new ATOM 1858 N LEU A 125 33.164 -43.986 -25.287 1.00 12.40 N ATOM 1859 CA LEU A 125 33.365 -45.396 -24.931 1.00 25.35 C ATOM 1860 C LEU A 125 34.806 -45.842 -25.219 1.00 41.53 C ATOM 1861 O LEU A 125 35.421 -45.397 -26.189 1.00 14.23 O ATOM 1862 CB LEU A 125 32.381 -46.283 -25.707 1.00 73.21 C ATOM 1863 CG LEU A 125 32.369 -47.766 -25.299 1.00 23.44 C ATOM 1864 CD1 LEU A 125 31.914 -47.927 -23.852 1.00 10.52 C ATOM 1865 CD2 LEU A 125 31.482 -48.574 -26.239 1.00 13.21 C ATOM 0 H LEU A 125 33.698 -43.674 -26.098 1.00 12.40 H new ATOM 0 HA LEU A 125 33.182 -45.501 -23.862 1.00 25.35 H new ATOM 0 HB2 LEU A 125 31.376 -45.880 -25.579 1.00 73.21 H new ATOM 0 HB3 LEU A 125 32.618 -46.217 -26.769 1.00 73.21 H new ATOM 0 HG LEU A 125 33.386 -48.149 -25.377 1.00 23.44 H new ATOM 0 HD11 LEU A 125 31.914 -48.984 -23.586 1.00 10.52 H new ATOM 0 HD12 LEU A 125 32.596 -47.388 -23.194 1.00 10.52 H new ATOM 0 HD13 LEU A 125 30.907 -47.524 -23.740 1.00 10.52 H new ATOM 0 HD21 LEU A 125 31.487 -49.620 -25.934 1.00 13.21 H new ATOM 0 HD22 LEU A 125 30.463 -48.189 -26.199 1.00 13.21 H new ATOM 0 HD23 LEU A 125 31.861 -48.491 -27.258 1.00 13.21 H new ATOM 1877 N GLU A 126 35.344 -46.717 -24.369 1.00 64.13 N ATOM 1878 CA GLU A 126 36.708 -47.230 -24.546 1.00 4.34 C ATOM 1879 C GLU A 126 36.862 -48.647 -23.961 1.00 4.52 C ATOM 1880 O GLU A 126 36.360 -48.935 -22.874 1.00 65.41 O ATOM 1881 CB GLU A 126 37.716 -46.291 -23.867 1.00 35.53 C ATOM 1882 CG GLU A 126 39.174 -46.664 -24.121 1.00 11.53 C ATOM 1883 CD GLU A 126 40.147 -45.921 -23.218 1.00 15.42 C ATOM 1884 OE1 GLU A 126 40.323 -44.697 -23.397 1.00 42.35 O ATOM 1885 OE2 GLU A 126 40.737 -46.563 -22.324 1.00 41.34 O ATOM 0 H GLU A 126 34.859 -47.087 -23.551 1.00 64.13 H new ATOM 0 HA GLU A 126 36.905 -47.277 -25.617 1.00 4.34 H new ATOM 0 HB2 GLU A 126 37.545 -45.274 -24.219 1.00 35.53 H new ATOM 0 HB3 GLU A 126 37.532 -46.292 -22.793 1.00 35.53 H new ATOM 0 HG2 GLU A 126 39.299 -47.737 -23.975 1.00 11.53 H new ATOM 0 HG3 GLU A 126 39.421 -46.453 -25.162 1.00 11.53 H new ATOM 1892 N HIS A 127 37.549 -49.528 -24.692 1.00 73.41 N ATOM 1893 CA HIS A 127 37.879 -50.866 -24.181 1.00 5.15 C ATOM 1894 C HIS A 127 39.014 -51.515 -24.994 1.00 74.23 C ATOM 1895 O HIS A 127 38.865 -51.787 -26.183 1.00 51.12 O ATOM 1896 CB HIS A 127 36.638 -51.780 -24.183 1.00 25.23 C ATOM 1897 CG HIS A 127 36.122 -52.120 -25.551 1.00 53.44 C ATOM 1898 ND1 HIS A 127 36.499 -53.259 -26.234 1.00 10.51 N ATOM 1899 CD2 HIS A 127 35.264 -51.467 -26.367 1.00 73.40 C ATOM 1900 CE1 HIS A 127 35.898 -53.288 -27.404 1.00 71.11 C ATOM 1901 NE2 HIS A 127 35.144 -52.214 -27.512 1.00 74.34 N ATOM 0 H HIS A 127 37.888 -49.343 -25.636 1.00 73.41 H new ATOM 0 HA HIS A 127 38.222 -50.744 -23.154 1.00 5.15 H new ATOM 0 HB2 HIS A 127 36.882 -52.704 -23.659 1.00 25.23 H new ATOM 0 HB3 HIS A 127 35.843 -51.294 -23.618 1.00 25.23 H new ATOM 0 HD2 HIS A 127 34.766 -50.532 -26.157 1.00 73.40 H new ATOM 0 HE1 HIS A 127 36.005 -54.062 -28.150 1.00 71.11 H new ATOM 0 HE2 HIS A 127 34.564 -51.976 -28.317 1.00 74.34 H new ATOM 1910 N HIS A 128 40.157 -51.747 -24.353 1.00 64.33 N ATOM 1911 CA HIS A 128 41.268 -52.463 -24.994 1.00 41.13 C ATOM 1912 C HIS A 128 42.034 -53.330 -23.981 1.00 31.20 C ATOM 1913 O HIS A 128 42.723 -52.822 -23.094 1.00 71.23 O ATOM 1914 CB HIS A 128 42.216 -51.484 -25.717 1.00 10.02 C ATOM 1915 CG HIS A 128 42.780 -50.393 -24.852 1.00 4.41 C ATOM 1916 ND1 HIS A 128 42.172 -49.168 -24.690 1.00 64.45 N ATOM 1917 CD2 HIS A 128 43.919 -50.339 -24.118 1.00 1.01 C ATOM 1918 CE1 HIS A 128 42.907 -48.411 -23.902 1.00 64.42 C ATOM 1919 NE2 HIS A 128 43.969 -49.098 -23.540 1.00 32.41 N ATOM 0 H HIS A 128 40.342 -51.453 -23.394 1.00 64.33 H new ATOM 0 HA HIS A 128 40.842 -53.130 -25.743 1.00 41.13 H new ATOM 0 HB2 HIS A 128 43.042 -52.051 -26.146 1.00 10.02 H new ATOM 0 HB3 HIS A 128 41.678 -51.027 -26.548 1.00 10.02 H new ATOM 0 HD2 HIS A 128 44.650 -51.127 -24.009 1.00 1.01 H new ATOM 0 HE1 HIS A 128 42.677 -47.399 -23.604 1.00 64.42 H new ATOM 0 HE2 HIS A 128 44.711 -48.761 -22.927 1.00 32.41 H new ATOM 1928 N HIS A 129 41.899 -54.648 -24.123 1.00 45.45 N ATOM 1929 CA HIS A 129 42.525 -55.610 -23.206 1.00 1.14 C ATOM 1930 C HIS A 129 42.482 -57.029 -23.798 1.00 23.25 C ATOM 1931 O HIS A 129 41.405 -57.562 -24.069 1.00 52.31 O ATOM 1932 CB HIS A 129 41.828 -55.588 -21.834 1.00 4.41 C ATOM 1933 CG HIS A 129 40.374 -55.961 -21.883 1.00 3.33 C ATOM 1934 ND1 HIS A 129 39.911 -57.223 -21.584 1.00 45.23 N ATOM 1935 CD2 HIS A 129 39.276 -55.234 -22.209 1.00 43.41 C ATOM 1936 CE1 HIS A 129 38.603 -57.259 -21.722 1.00 62.41 C ATOM 1937 NE2 HIS A 129 38.190 -56.066 -22.099 1.00 54.22 N ATOM 0 H HIS A 129 41.357 -55.081 -24.871 1.00 45.45 H new ATOM 0 HA HIS A 129 43.567 -55.319 -23.071 1.00 1.14 H new ATOM 0 HB2 HIS A 129 42.346 -56.273 -21.163 1.00 4.41 H new ATOM 0 HB3 HIS A 129 41.923 -54.590 -21.406 1.00 4.41 H new ATOM 0 HD2 HIS A 129 39.260 -54.194 -22.501 1.00 43.41 H new ATOM 0 HE1 HIS A 129 37.974 -58.121 -21.555 1.00 62.41 H new ATOM 0 HE2 HIS A 129 37.221 -55.804 -22.280 1.00 54.22 H new ATOM 1946 N HIS A 130 43.646 -57.640 -24.004 1.00 32.41 N ATOM 1947 CA HIS A 130 43.700 -58.981 -24.600 1.00 52.22 C ATOM 1948 C HIS A 130 44.876 -59.812 -24.049 1.00 33.40 C ATOM 1949 O HIS A 130 45.306 -60.786 -24.671 1.00 22.52 O ATOM 1950 CB HIS A 130 43.797 -58.863 -26.132 1.00 74.41 C ATOM 1951 CG HIS A 130 43.425 -60.122 -26.860 1.00 24.13 C ATOM 1952 ND1 HIS A 130 44.290 -61.179 -27.035 1.00 24.11 N ATOM 1953 CD2 HIS A 130 42.263 -60.494 -27.445 1.00 44.01 C ATOM 1954 CE1 HIS A 130 43.681 -62.142 -27.694 1.00 44.13 C ATOM 1955 NE2 HIS A 130 42.449 -61.755 -27.954 1.00 73.13 N ATOM 0 H HIS A 130 44.555 -57.239 -23.772 1.00 32.41 H new ATOM 0 HA HIS A 130 42.783 -59.505 -24.331 1.00 52.22 H new ATOM 0 HB2 HIS A 130 43.147 -58.055 -26.467 1.00 74.41 H new ATOM 0 HB3 HIS A 130 44.816 -58.585 -26.402 1.00 74.41 H new ATOM 0 HD1 HIS A 130 45.255 -61.211 -26.705 1.00 24.11 H new ATOM 0 HD2 HIS A 130 41.358 -59.908 -27.501 1.00 44.01 H new ATOM 0 HE1 HIS A 130 44.118 -63.089 -27.974 1.00 44.13 H new ATOM 1964 N HIS A 131 45.385 -59.445 -22.874 1.00 62.30 N ATOM 1965 CA HIS A 131 46.469 -60.209 -22.248 1.00 50.33 C ATOM 1966 C HIS A 131 45.944 -61.539 -21.681 1.00 4.31 C ATOM 1967 O HIS A 131 45.627 -61.645 -20.495 1.00 35.31 O ATOM 1968 CB HIS A 131 47.150 -59.389 -21.144 1.00 33.21 C ATOM 1969 CG HIS A 131 48.303 -60.101 -20.503 1.00 4.41 C ATOM 1970 ND1 HIS A 131 49.517 -60.279 -21.131 1.00 42.02 N ATOM 1971 CD2 HIS A 131 48.422 -60.697 -19.290 1.00 22.44 C ATOM 1972 CE1 HIS A 131 50.326 -60.953 -20.340 1.00 71.43 C ATOM 1973 NE2 HIS A 131 49.691 -61.219 -19.220 1.00 54.34 N ATOM 0 H HIS A 131 45.071 -58.635 -22.340 1.00 62.30 H new ATOM 0 HA HIS A 131 47.209 -60.431 -23.017 1.00 50.33 H new ATOM 0 HB2 HIS A 131 47.502 -58.447 -21.565 1.00 33.21 H new ATOM 0 HB3 HIS A 131 46.414 -59.141 -20.379 1.00 33.21 H new ATOM 0 HD2 HIS A 131 47.663 -60.751 -18.524 1.00 22.44 H new ATOM 0 HE1 HIS A 131 51.341 -61.239 -20.572 1.00 71.43 H new ATOM 0 HE2 HIS A 131 50.078 -61.730 -18.427 1.00 54.34 H new ATOM 1982 N HIS A 132 45.833 -62.543 -22.546 1.00 75.45 N ATOM 1983 CA HIS A 132 45.308 -63.853 -22.151 1.00 63.11 C ATOM 1984 C HIS A 132 46.444 -64.809 -21.766 1.00 71.53 C ATOM 1985 O HIS A 132 46.774 -64.967 -20.585 1.00 71.04 O ATOM 1986 CB HIS A 132 44.474 -64.442 -23.297 1.00 22.14 C ATOM 1987 CG HIS A 132 43.749 -65.703 -22.938 1.00 42.31 C ATOM 1988 ND1 HIS A 132 42.861 -65.788 -21.888 1.00 31.42 N ATOM 1989 CD2 HIS A 132 43.783 -66.936 -23.495 1.00 32.14 C ATOM 1990 CE1 HIS A 132 42.382 -67.012 -21.815 1.00 73.15 C ATOM 1991 NE2 HIS A 132 42.923 -67.728 -22.779 1.00 33.24 N ATOM 0 H HIS A 132 46.100 -62.477 -23.528 1.00 75.45 H new ATOM 0 HA HIS A 132 44.672 -63.723 -21.275 1.00 63.11 H new ATOM 0 HB2 HIS A 132 43.748 -63.698 -23.624 1.00 22.14 H new ATOM 0 HB3 HIS A 132 45.130 -64.641 -24.145 1.00 22.14 H new ATOM 0 HD2 HIS A 132 44.377 -67.239 -24.345 1.00 32.14 H new ATOM 0 HE1 HIS A 132 41.667 -67.368 -21.088 1.00 73.15 H new ATOM 0 HE2 HIS A 132 42.733 -68.713 -22.963 1.00 33.24 H new TER 2000 HIS A 132