USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 89 THR OG1 : rot 112:sc= 0.641 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.787 K(o=1.4,f=0.5) USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 TYR OH : rot 15:sc= 0.426 USER MOD Set 3.2: A 31 LYS NZ :NH3+ -134:sc= 0.951 (180deg=0.385) USER MOD Set 4.1: A 6 ASN : amide:sc= -0.21 X(o=-0.23,f=0.11) USER MOD Set 4.2: A 36 THR OG1 : rot 113:sc= -0.024 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0557 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -171:sc= -1.17 (180deg=-1.31) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 73:sc= 0.559 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 34 ASN : amide:sc= -0.0307 K(o=-0.031,f=-0.64) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 46 SER OG : rot 180:sc= 0.101 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -96:sc= 0.0343 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00048 X(o=-0.00048,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 90 MET CE :methyl -131:sc= -0.908 (180deg=-2.77!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 104 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -51:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.222 -17.588 -7.834 1.00 40.31 N ATOM 2 CA GLY A 1 13.965 -17.398 -6.418 1.00 74.01 C ATOM 3 C GLY A 1 12.665 -18.040 -5.974 1.00 71.35 C ATOM 4 O GLY A 1 11.858 -18.486 -6.790 1.00 1.21 O ATOM 0 H1 GLY A 1 15.183 -17.964 -7.965 1.00 40.31 H new ATOM 0 H2 GLY A 1 13.531 -18.259 -8.225 1.00 40.31 H new ATOM 0 H3 GLY A 1 14.137 -16.677 -8.328 1.00 40.31 H new ATOM 0 HA2 GLY A 1 14.790 -17.819 -5.842 1.00 74.01 H new ATOM 0 HA3 GLY A 1 13.934 -16.331 -6.197 1.00 74.01 H new ATOM 8 N PRO A 2 12.449 -18.094 -4.652 1.00 21.13 N ATOM 9 CA PRO A 2 11.240 -18.686 -4.070 1.00 53.23 C ATOM 10 C PRO A 2 9.997 -17.844 -4.338 1.00 10.12 C ATOM 11 O PRO A 2 8.909 -18.376 -4.551 1.00 34.21 O ATOM 12 CB PRO A 2 11.549 -18.723 -2.572 1.00 10.23 C ATOM 13 CG PRO A 2 12.547 -17.636 -2.363 1.00 72.41 C ATOM 14 CD PRO A 2 13.369 -17.582 -3.621 1.00 74.41 C ATOM 0 HA PRO A 2 11.018 -19.664 -4.497 1.00 53.23 H new ATOM 0 HB2 PRO A 2 10.650 -18.555 -1.978 1.00 10.23 H new ATOM 0 HB3 PRO A 2 11.951 -19.692 -2.275 1.00 10.23 H new ATOM 0 HG2 PRO A 2 12.053 -16.682 -2.179 1.00 72.41 H new ATOM 0 HG3 PRO A 2 13.174 -17.843 -1.496 1.00 72.41 H new ATOM 0 HD2 PRO A 2 13.697 -16.567 -3.843 1.00 74.41 H new ATOM 0 HD3 PRO A 2 14.266 -18.196 -3.542 1.00 74.41 H new ATOM 22 N GLY A 3 10.167 -16.525 -4.326 1.00 32.14 N ATOM 23 CA GLY A 3 9.050 -15.631 -4.568 1.00 51.10 C ATOM 24 C GLY A 3 8.979 -14.504 -3.557 1.00 74.53 C ATOM 25 O GLY A 3 9.625 -14.558 -2.511 1.00 4.22 O ATOM 0 H GLY A 3 11.058 -16.060 -4.153 1.00 32.14 H new ATOM 0 HA2 GLY A 3 9.136 -15.211 -5.570 1.00 51.10 H new ATOM 0 HA3 GLY A 3 8.121 -16.200 -4.539 1.00 51.10 H new ATOM 29 N SER A 4 8.192 -13.480 -3.869 1.00 5.40 N ATOM 30 CA SER A 4 8.043 -12.332 -2.982 1.00 2.20 C ATOM 31 C SER A 4 6.895 -11.437 -3.440 1.00 13.53 C ATOM 32 O SER A 4 6.528 -11.432 -4.614 1.00 61.33 O ATOM 33 CB SER A 4 9.344 -11.527 -2.931 1.00 54.54 C ATOM 34 OG SER A 4 9.755 -11.142 -4.232 1.00 1.13 O ATOM 0 H SER A 4 7.647 -13.421 -4.729 1.00 5.40 H new ATOM 0 HA SER A 4 7.815 -12.703 -1.983 1.00 2.20 H new ATOM 0 HB2 SER A 4 9.203 -10.640 -2.313 1.00 54.54 H new ATOM 0 HB3 SER A 4 10.126 -12.123 -2.460 1.00 54.54 H new ATOM 0 HG SER A 4 10.587 -10.628 -4.173 1.00 1.13 H new ATOM 40 N MET A 5 6.333 -10.680 -2.502 1.00 75.42 N ATOM 41 CA MET A 5 5.228 -9.781 -2.808 1.00 53.22 C ATOM 42 C MET A 5 5.722 -8.346 -2.968 1.00 25.43 C ATOM 43 O MET A 5 6.787 -7.989 -2.466 1.00 1.45 O ATOM 44 CB MET A 5 4.167 -9.847 -1.708 1.00 33.33 C ATOM 45 CG MET A 5 2.875 -9.130 -2.064 1.00 4.15 C ATOM 46 SD MET A 5 1.429 -9.874 -1.284 1.00 24.00 S ATOM 47 CE MET A 5 1.827 -9.651 0.448 1.00 1.00 C ATOM 0 H MET A 5 6.625 -10.672 -1.525 1.00 75.42 H new ATOM 0 HA MET A 5 4.784 -10.101 -3.750 1.00 53.22 H new ATOM 0 HB2 MET A 5 3.945 -10.892 -1.491 1.00 33.33 H new ATOM 0 HB3 MET A 5 4.574 -9.412 -0.795 1.00 33.33 H new ATOM 0 HG2 MET A 5 2.949 -8.085 -1.762 1.00 4.15 H new ATOM 0 HG3 MET A 5 2.745 -9.140 -3.146 1.00 4.15 H new ATOM 0 HE1 MET A 5 1.110 -10.199 1.060 1.00 1.00 H new ATOM 0 HE2 MET A 5 2.832 -10.027 0.642 1.00 1.00 H new ATOM 0 HE3 MET A 5 1.782 -8.591 0.698 1.00 1.00 H new ATOM 57 N ASN A 6 4.942 -7.530 -3.668 1.00 60.45 N ATOM 58 CA ASN A 6 5.302 -6.135 -3.894 1.00 65.21 C ATOM 59 C ASN A 6 4.131 -5.212 -3.572 1.00 13.14 C ATOM 60 O ASN A 6 3.040 -5.361 -4.123 1.00 43.15 O ATOM 61 CB ASN A 6 5.745 -5.929 -5.344 1.00 51.30 C ATOM 62 CG ASN A 6 6.779 -6.948 -5.783 1.00 41.51 C ATOM 63 OD1 ASN A 6 7.596 -7.403 -4.983 1.00 43.42 O ATOM 64 ND2 ASN A 6 6.747 -7.310 -7.060 1.00 42.40 N ATOM 0 H ASN A 6 4.056 -7.810 -4.089 1.00 60.45 H new ATOM 0 HA ASN A 6 6.130 -5.887 -3.230 1.00 65.21 H new ATOM 0 HB2 ASN A 6 4.876 -5.992 -5.999 1.00 51.30 H new ATOM 0 HB3 ASN A 6 6.157 -4.926 -5.456 1.00 51.30 H new ATOM 0 HD21 ASN A 6 7.418 -7.992 -7.414 1.00 42.40 H new ATOM 0 HD22 ASN A 6 6.051 -6.906 -7.687 1.00 42.40 H new ATOM 71 N ILE A 7 4.365 -4.258 -2.677 1.00 20.20 N ATOM 72 CA ILE A 7 3.330 -3.311 -2.283 1.00 1.31 C ATOM 73 C ILE A 7 3.660 -1.903 -2.768 1.00 71.55 C ATOM 74 O ILE A 7 4.823 -1.498 -2.787 1.00 0.43 O ATOM 75 CB ILE A 7 3.143 -3.284 -0.754 1.00 52.42 C ATOM 76 CG1 ILE A 7 2.784 -4.678 -0.237 1.00 71.15 C ATOM 77 CG2 ILE A 7 2.069 -2.278 -0.369 1.00 51.14 C ATOM 78 CD1 ILE A 7 3.928 -5.376 0.465 1.00 52.42 C ATOM 0 H ILE A 7 5.262 -4.121 -2.211 1.00 20.20 H new ATOM 0 HA ILE A 7 2.403 -3.646 -2.748 1.00 1.31 H new ATOM 0 HB ILE A 7 4.082 -2.977 -0.294 1.00 52.42 H new ATOM 0 HG12 ILE A 7 1.942 -4.596 0.451 1.00 71.15 H new ATOM 0 HG13 ILE A 7 2.453 -5.293 -1.074 1.00 71.15 H new ATOM 0 HG21 ILE A 7 1.949 -2.271 0.714 1.00 51.14 H new ATOM 0 HG22 ILE A 7 2.363 -1.285 -0.708 1.00 51.14 H new ATOM 0 HG23 ILE A 7 1.125 -2.557 -0.837 1.00 51.14 H new ATOM 0 HD11 ILE A 7 3.601 -6.359 0.805 1.00 52.42 H new ATOM 0 HD12 ILE A 7 4.763 -5.490 -0.226 1.00 52.42 H new ATOM 0 HD13 ILE A 7 4.245 -4.783 1.323 1.00 52.42 H new ATOM 90 N LEU A 8 2.630 -1.161 -3.159 1.00 75.20 N ATOM 91 CA LEU A 8 2.809 0.203 -3.643 1.00 24.22 C ATOM 92 C LEU A 8 2.086 1.200 -2.743 1.00 3.41 C ATOM 93 O LEU A 8 0.985 0.933 -2.259 1.00 62.42 O ATOM 94 CB LEU A 8 2.294 0.328 -5.078 1.00 32.34 C ATOM 95 CG LEU A 8 2.419 1.711 -5.718 1.00 70.21 C ATOM 96 CD1 LEU A 8 3.877 2.141 -5.780 1.00 71.11 C ATOM 97 CD2 LEU A 8 1.801 1.713 -7.109 1.00 11.43 C ATOM 0 H LEU A 8 1.662 -1.481 -3.150 1.00 75.20 H new ATOM 0 HA LEU A 8 3.875 0.431 -3.625 1.00 24.22 H new ATOM 0 HB2 LEU A 8 2.832 -0.388 -5.699 1.00 32.34 H new ATOM 0 HB3 LEU A 8 1.244 0.037 -5.093 1.00 32.34 H new ATOM 0 HG LEU A 8 1.876 2.426 -5.100 1.00 70.21 H new ATOM 0 HD11 LEU A 8 3.946 3.127 -6.238 1.00 71.11 H new ATOM 0 HD12 LEU A 8 4.288 2.180 -4.771 1.00 71.11 H new ATOM 0 HD13 LEU A 8 4.443 1.424 -6.375 1.00 71.11 H new ATOM 0 HD21 LEU A 8 1.899 2.705 -7.549 1.00 11.43 H new ATOM 0 HD22 LEU A 8 2.315 0.985 -7.737 1.00 11.43 H new ATOM 0 HD23 LEU A 8 0.746 1.450 -7.039 1.00 11.43 H new ATOM 109 N LEU A 9 2.712 2.352 -2.522 1.00 34.31 N ATOM 110 CA LEU A 9 2.128 3.391 -1.681 1.00 75.31 C ATOM 111 C LEU A 9 1.960 4.691 -2.461 1.00 33.44 C ATOM 112 O LEU A 9 2.902 5.180 -3.084 1.00 32.30 O ATOM 113 CB LEU A 9 3.003 3.630 -0.450 1.00 22.23 C ATOM 114 CG LEU A 9 2.292 4.201 0.778 1.00 45.42 C ATOM 115 CD1 LEU A 9 2.564 3.338 2.001 1.00 54.44 C ATOM 116 CD2 LEU A 9 2.732 5.637 1.027 1.00 14.24 C ATOM 0 H LEU A 9 3.623 2.589 -2.914 1.00 34.31 H new ATOM 0 HA LEU A 9 1.143 3.053 -1.358 1.00 75.31 H new ATOM 0 HB2 LEU A 9 3.467 2.684 -0.170 1.00 22.23 H new ATOM 0 HB3 LEU A 9 3.808 4.310 -0.728 1.00 22.23 H new ATOM 0 HG LEU A 9 1.219 4.198 0.589 1.00 45.42 H new ATOM 0 HD11 LEU A 9 2.050 3.759 2.865 1.00 54.44 H new ATOM 0 HD12 LEU A 9 2.201 2.326 1.821 1.00 54.44 H new ATOM 0 HD13 LEU A 9 3.636 3.309 2.195 1.00 54.44 H new ATOM 0 HD21 LEU A 9 2.217 6.028 1.904 1.00 14.24 H new ATOM 0 HD22 LEU A 9 3.808 5.664 1.196 1.00 14.24 H new ATOM 0 HD23 LEU A 9 2.486 6.249 0.159 1.00 14.24 H new ATOM 128 N VAL A 10 0.753 5.249 -2.419 1.00 25.35 N ATOM 129 CA VAL A 10 0.463 6.495 -3.118 1.00 35.44 C ATOM 130 C VAL A 10 0.543 7.687 -2.171 1.00 21.31 C ATOM 131 O VAL A 10 -0.315 7.863 -1.305 1.00 2.12 O ATOM 132 CB VAL A 10 -0.933 6.460 -3.766 1.00 55.44 C ATOM 133 CG1 VAL A 10 -1.144 7.684 -4.646 1.00 24.22 C ATOM 134 CG2 VAL A 10 -1.118 5.180 -4.567 1.00 43.42 C ATOM 0 H VAL A 10 -0.039 4.858 -1.908 1.00 25.35 H new ATOM 0 HA VAL A 10 1.216 6.605 -3.899 1.00 35.44 H new ATOM 0 HB VAL A 10 -1.682 6.477 -2.974 1.00 55.44 H new ATOM 0 HG11 VAL A 10 -2.136 7.642 -5.096 1.00 24.22 H new ATOM 0 HG12 VAL A 10 -1.058 8.586 -4.041 1.00 24.22 H new ATOM 0 HG13 VAL A 10 -0.390 7.701 -5.433 1.00 24.22 H new ATOM 0 HG21 VAL A 10 -2.110 5.173 -5.018 1.00 43.42 H new ATOM 0 HG22 VAL A 10 -0.363 5.129 -5.351 1.00 43.42 H new ATOM 0 HG23 VAL A 10 -1.013 4.319 -3.907 1.00 43.42 H new ATOM 144 N CYS A 11 1.577 8.503 -2.343 1.00 52.20 N ATOM 145 CA CYS A 11 1.769 9.681 -1.504 1.00 74.51 C ATOM 146 C CYS A 11 2.985 10.480 -1.960 1.00 53.43 C ATOM 147 O CYS A 11 2.851 11.566 -2.523 1.00 1.54 O ATOM 148 CB CYS A 11 1.935 9.269 -0.041 1.00 34.42 C ATOM 149 SG CYS A 11 2.346 10.635 1.069 1.00 61.12 S ATOM 0 H CYS A 11 2.295 8.371 -3.055 1.00 52.20 H new ATOM 0 HA CYS A 11 0.885 10.312 -1.598 1.00 74.51 H new ATOM 0 HB2 CYS A 11 1.011 8.803 0.301 1.00 34.42 H new ATOM 0 HB3 CYS A 11 2.717 8.513 0.026 1.00 34.42 H new ATOM 0 HG CYS A 11 2.463 10.187 2.284 1.00 61.12 H new ATOM 155 N GLY A 12 4.172 9.936 -1.712 1.00 1.11 N ATOM 156 CA GLY A 12 5.396 10.613 -2.102 1.00 73.31 C ATOM 157 C GLY A 12 6.391 10.715 -0.963 1.00 33.52 C ATOM 158 O GLY A 12 6.208 11.506 -0.039 1.00 13.20 O ATOM 0 H GLY A 12 4.309 9.038 -1.248 1.00 1.11 H new ATOM 0 HA2 GLY A 12 5.854 10.078 -2.934 1.00 73.31 H new ATOM 0 HA3 GLY A 12 5.155 11.614 -2.461 1.00 73.31 H new ATOM 162 N ALA A 13 7.445 9.909 -1.028 1.00 63.33 N ATOM 163 CA ALA A 13 8.473 9.912 0.006 1.00 10.12 C ATOM 164 C ALA A 13 9.575 10.916 -0.317 1.00 71.23 C ATOM 165 O ALA A 13 10.200 11.477 0.581 1.00 63.24 O ATOM 166 CB ALA A 13 9.060 8.518 0.171 1.00 12.25 C ATOM 0 H ALA A 13 7.610 9.246 -1.785 1.00 63.33 H new ATOM 0 HA ALA A 13 8.007 10.212 0.945 1.00 10.12 H new ATOM 0 HB1 ALA A 13 9.826 8.535 0.946 1.00 12.25 H new ATOM 0 HB2 ALA A 13 8.271 7.822 0.456 1.00 12.25 H new ATOM 0 HB3 ALA A 13 9.504 8.196 -0.771 1.00 12.25 H new ATOM 172 N GLY A 14 9.807 11.137 -1.608 1.00 53.43 N ATOM 173 CA GLY A 14 10.834 12.074 -2.027 1.00 35.30 C ATOM 174 C GLY A 14 12.231 11.584 -1.703 1.00 23.35 C ATOM 175 O GLY A 14 12.935 12.187 -0.893 1.00 10.40 O ATOM 0 H GLY A 14 9.303 10.684 -2.370 1.00 53.43 H new ATOM 0 HA2 GLY A 14 10.751 12.243 -3.101 1.00 35.30 H new ATOM 0 HA3 GLY A 14 10.667 13.034 -1.539 1.00 35.30 H new ATOM 179 N MET A 15 12.634 10.487 -2.335 1.00 51.32 N ATOM 180 CA MET A 15 13.957 9.917 -2.108 1.00 51.14 C ATOM 181 C MET A 15 14.119 9.478 -0.656 1.00 42.11 C ATOM 182 O MET A 15 13.262 9.752 0.183 1.00 2.13 O ATOM 183 CB MET A 15 15.043 10.933 -2.470 1.00 60.21 C ATOM 184 CG MET A 15 16.002 10.441 -3.541 1.00 63.14 C ATOM 185 SD MET A 15 15.204 10.223 -5.143 1.00 43.21 S ATOM 186 CE MET A 15 16.034 8.751 -5.738 1.00 53.02 C ATOM 0 H MET A 15 12.064 9.975 -3.008 1.00 51.32 H new ATOM 0 HA MET A 15 14.062 9.041 -2.748 1.00 51.14 H new ATOM 0 HB2 MET A 15 14.569 11.853 -2.813 1.00 60.21 H new ATOM 0 HB3 MET A 15 15.610 11.182 -1.573 1.00 60.21 H new ATOM 0 HG2 MET A 15 16.823 11.151 -3.642 1.00 63.14 H new ATOM 0 HG3 MET A 15 16.438 9.493 -3.225 1.00 63.14 H new ATOM 0 HE1 MET A 15 15.648 8.488 -6.723 1.00 53.02 H new ATOM 0 HE2 MET A 15 17.105 8.940 -5.807 1.00 53.02 H new ATOM 0 HE3 MET A 15 15.855 7.928 -5.047 1.00 53.02 H new ATOM 196 N SER A 16 15.223 8.795 -0.368 1.00 52.11 N ATOM 197 CA SER A 16 15.494 8.315 0.982 1.00 53.44 C ATOM 198 C SER A 16 14.343 7.455 1.494 1.00 62.23 C ATOM 199 O SER A 16 13.438 7.094 0.740 1.00 1.34 O ATOM 200 CB SER A 16 15.724 9.494 1.928 1.00 51.41 C ATOM 201 OG SER A 16 16.676 10.399 1.394 1.00 12.45 O ATOM 0 H SER A 16 15.944 8.562 -1.051 1.00 52.11 H new ATOM 0 HA SER A 16 16.395 7.703 0.949 1.00 53.44 H new ATOM 0 HB2 SER A 16 14.782 10.014 2.102 1.00 51.41 H new ATOM 0 HB3 SER A 16 16.069 9.127 2.895 1.00 51.41 H new ATOM 0 HG SER A 16 16.804 11.145 2.017 1.00 12.45 H new ATOM 207 N THR A 17 14.383 7.128 2.781 1.00 4.21 N ATOM 208 CA THR A 17 13.347 6.309 3.396 1.00 33.51 C ATOM 209 C THR A 17 12.379 7.163 4.206 1.00 42.21 C ATOM 210 O THR A 17 12.688 8.301 4.562 1.00 64.34 O ATOM 211 CB THR A 17 13.952 5.230 4.314 1.00 44.24 C ATOM 212 OG1 THR A 17 12.920 4.368 4.804 1.00 13.25 O ATOM 213 CG2 THR A 17 14.690 5.865 5.483 1.00 55.22 C ATOM 0 H THR A 17 15.124 7.419 3.419 1.00 4.21 H new ATOM 0 HA THR A 17 12.807 5.823 2.584 1.00 33.51 H new ATOM 0 HB THR A 17 14.664 4.646 3.731 1.00 44.24 H new ATOM 0 HG1 THR A 17 13.314 3.684 5.385 1.00 13.25 H new ATOM 0 HG21 THR A 17 15.108 5.083 6.117 1.00 55.22 H new ATOM 0 HG22 THR A 17 15.495 6.496 5.106 1.00 55.22 H new ATOM 0 HG23 THR A 17 13.996 6.472 6.065 1.00 55.22 H new ATOM 221 N SER A 18 11.206 6.608 4.495 1.00 11.31 N ATOM 222 CA SER A 18 10.191 7.322 5.262 1.00 65.24 C ATOM 223 C SER A 18 9.847 6.568 6.542 1.00 22.11 C ATOM 224 O SER A 18 10.303 5.445 6.756 1.00 62.21 O ATOM 225 CB SER A 18 8.930 7.520 4.419 1.00 65.44 C ATOM 226 OG SER A 18 9.005 8.715 3.661 1.00 0.23 O ATOM 0 H SER A 18 10.935 5.667 4.210 1.00 11.31 H new ATOM 0 HA SER A 18 10.595 8.297 5.533 1.00 65.24 H new ATOM 0 HB2 SER A 18 8.799 6.669 3.750 1.00 65.44 H new ATOM 0 HB3 SER A 18 8.056 7.552 5.069 1.00 65.44 H new ATOM 0 HG SER A 18 8.188 8.817 3.130 1.00 0.23 H new ATOM 232 N MET A 19 9.039 7.194 7.392 1.00 44.25 N ATOM 233 CA MET A 19 8.633 6.581 8.651 1.00 13.43 C ATOM 234 C MET A 19 7.943 5.244 8.408 1.00 73.30 C ATOM 235 O MET A 19 8.370 4.210 8.924 1.00 33.54 O ATOM 236 CB MET A 19 7.698 7.518 9.419 1.00 15.02 C ATOM 237 CG MET A 19 8.305 8.882 9.705 1.00 54.41 C ATOM 238 SD MET A 19 7.410 10.223 8.898 1.00 33.14 S ATOM 239 CE MET A 19 6.977 11.238 10.309 1.00 1.43 C ATOM 0 H MET A 19 8.653 8.124 7.232 1.00 44.25 H new ATOM 0 HA MET A 19 9.529 6.404 9.246 1.00 13.43 H new ATOM 0 HB2 MET A 19 6.780 7.651 8.847 1.00 15.02 H new ATOM 0 HB3 MET A 19 7.420 7.048 10.362 1.00 15.02 H new ATOM 0 HG2 MET A 19 8.314 9.053 10.782 1.00 54.41 H new ATOM 0 HG3 MET A 19 9.343 8.891 9.372 1.00 54.41 H new ATOM 0 HE1 MET A 19 6.417 12.110 9.972 1.00 1.43 H new ATOM 0 HE2 MET A 19 6.364 10.659 11.000 1.00 1.43 H new ATOM 0 HE3 MET A 19 7.886 11.563 10.816 1.00 1.43 H new ATOM 249 N LEU A 20 6.875 5.269 7.617 1.00 32.55 N ATOM 250 CA LEU A 20 6.126 4.056 7.305 1.00 13.52 C ATOM 251 C LEU A 20 7.053 2.960 6.793 1.00 32.40 C ATOM 252 O LEU A 20 7.103 1.862 7.350 1.00 1.50 O ATOM 253 CB LEU A 20 5.045 4.355 6.264 1.00 3.00 C ATOM 254 CG LEU A 20 3.723 4.898 6.806 1.00 73.23 C ATOM 255 CD1 LEU A 20 3.019 3.845 7.649 1.00 71.05 C ATOM 256 CD2 LEU A 20 3.957 6.163 7.618 1.00 64.13 C ATOM 0 H LEU A 20 6.509 6.115 7.181 1.00 32.55 H new ATOM 0 HA LEU A 20 5.652 3.705 8.222 1.00 13.52 H new ATOM 0 HB2 LEU A 20 5.445 5.075 5.551 1.00 3.00 H new ATOM 0 HB3 LEU A 20 4.839 3.439 5.710 1.00 3.00 H new ATOM 0 HG LEU A 20 3.082 5.147 5.960 1.00 73.23 H new ATOM 0 HD11 LEU A 20 2.080 4.249 8.026 1.00 71.05 H new ATOM 0 HD12 LEU A 20 2.816 2.966 7.038 1.00 71.05 H new ATOM 0 HD13 LEU A 20 3.656 3.565 8.488 1.00 71.05 H new ATOM 0 HD21 LEU A 20 3.004 6.535 7.995 1.00 64.13 H new ATOM 0 HD22 LEU A 20 4.617 5.940 8.456 1.00 64.13 H new ATOM 0 HD23 LEU A 20 4.417 6.922 6.985 1.00 64.13 H new ATOM 268 N VAL A 21 7.789 3.264 5.728 1.00 31.51 N ATOM 269 CA VAL A 21 8.718 2.305 5.141 1.00 1.23 C ATOM 270 C VAL A 21 9.652 1.728 6.199 1.00 32.51 C ATOM 271 O VAL A 21 9.947 0.533 6.193 1.00 1.11 O ATOM 272 CB VAL A 21 9.561 2.951 4.025 1.00 32.25 C ATOM 273 CG1 VAL A 21 10.465 1.916 3.374 1.00 44.31 C ATOM 274 CG2 VAL A 21 8.660 3.610 2.992 1.00 42.32 C ATOM 0 H VAL A 21 7.760 4.167 5.254 1.00 31.51 H new ATOM 0 HA VAL A 21 8.117 1.502 4.713 1.00 1.23 H new ATOM 0 HB VAL A 21 10.191 3.722 4.468 1.00 32.25 H new ATOM 0 HG11 VAL A 21 11.053 2.390 2.588 1.00 44.31 H new ATOM 0 HG12 VAL A 21 11.134 1.494 4.124 1.00 44.31 H new ATOM 0 HG13 VAL A 21 9.856 1.121 2.943 1.00 44.31 H new ATOM 0 HG21 VAL A 21 9.272 4.061 2.211 1.00 42.32 H new ATOM 0 HG22 VAL A 21 8.003 2.860 2.551 1.00 42.32 H new ATOM 0 HG23 VAL A 21 8.058 4.381 3.473 1.00 42.32 H new ATOM 284 N GLN A 22 10.113 2.584 7.105 1.00 31.14 N ATOM 285 CA GLN A 22 11.014 2.158 8.169 1.00 73.11 C ATOM 286 C GLN A 22 10.350 1.111 9.058 1.00 25.33 C ATOM 287 O GLN A 22 10.899 0.031 9.278 1.00 2.23 O ATOM 288 CB GLN A 22 11.446 3.359 9.012 1.00 33.41 C ATOM 289 CG GLN A 22 12.803 3.920 8.620 1.00 21.12 C ATOM 290 CD GLN A 22 13.952 3.172 9.267 1.00 41.01 C ATOM 291 OE1 GLN A 22 14.326 3.451 10.406 1.00 23.21 O ATOM 292 NE2 GLN A 22 14.520 2.215 8.541 1.00 54.02 N ATOM 0 H GLN A 22 9.878 3.576 7.124 1.00 31.14 H new ATOM 0 HA GLN A 22 11.895 1.711 7.707 1.00 73.11 H new ATOM 0 HB2 GLN A 22 10.697 4.145 8.920 1.00 33.41 H new ATOM 0 HB3 GLN A 22 11.473 3.065 10.061 1.00 33.41 H new ATOM 0 HG2 GLN A 22 12.911 3.877 7.536 1.00 21.12 H new ATOM 0 HG3 GLN A 22 12.853 4.971 8.904 1.00 21.12 H new ATOM 0 HE21 GLN A 22 14.178 2.017 7.601 1.00 54.02 H new ATOM 0 HE22 GLN A 22 15.298 1.678 8.924 1.00 54.02 H new ATOM 301 N ARG A 23 9.166 1.437 9.566 1.00 74.24 N ATOM 302 CA ARG A 23 8.428 0.525 10.432 1.00 65.11 C ATOM 303 C ARG A 23 8.210 -0.820 9.745 1.00 1.01 C ATOM 304 O ARG A 23 8.621 -1.862 10.256 1.00 12.21 O ATOM 305 CB ARG A 23 7.081 1.136 10.821 1.00 41.13 C ATOM 306 CG ARG A 23 7.200 2.485 11.511 1.00 34.34 C ATOM 307 CD ARG A 23 6.971 2.365 13.011 1.00 75.54 C ATOM 308 NE ARG A 23 8.074 1.682 13.680 1.00 33.45 N ATOM 309 CZ ARG A 23 8.185 1.585 15.000 1.00 12.15 C ATOM 310 NH1 ARG A 23 7.265 2.124 15.788 1.00 51.43 N ATOM 311 NH2 ARG A 23 9.218 0.947 15.536 1.00 63.35 N ATOM 0 H ARG A 23 8.697 2.326 9.393 1.00 74.24 H new ATOM 0 HA ARG A 23 9.019 0.361 11.333 1.00 65.11 H new ATOM 0 HB2 ARG A 23 6.470 1.248 9.925 1.00 41.13 H new ATOM 0 HB3 ARG A 23 6.555 0.445 11.480 1.00 41.13 H new ATOM 0 HG2 ARG A 23 8.189 2.904 11.325 1.00 34.34 H new ATOM 0 HG3 ARG A 23 6.475 3.178 11.085 1.00 34.34 H new ATOM 0 HD2 ARG A 23 6.847 3.360 13.439 1.00 75.54 H new ATOM 0 HD3 ARG A 23 6.044 1.822 13.194 1.00 75.54 H new ATOM 0 HE ARG A 23 8.799 1.256 13.102 1.00 33.45 H new ATOM 0 HH11 ARG A 23 6.469 2.615 15.381 1.00 51.43 H new ATOM 0 HH12 ARG A 23 7.353 2.048 16.801 1.00 51.43 H new ATOM 0 HH21 ARG A 23 9.928 0.530 14.934 1.00 63.35 H new ATOM 0 HH22 ARG A 23 9.302 0.873 16.550 1.00 63.35 H new ATOM 325 N ILE A 24 7.561 -0.788 8.586 1.00 10.10 N ATOM 326 CA ILE A 24 7.289 -2.005 7.830 1.00 4.31 C ATOM 327 C ILE A 24 8.574 -2.780 7.556 1.00 72.14 C ATOM 328 O ILE A 24 8.647 -3.983 7.801 1.00 31.43 O ATOM 329 CB ILE A 24 6.597 -1.692 6.491 1.00 50.43 C ATOM 330 CG1 ILE A 24 5.284 -0.943 6.733 1.00 30.12 C ATOM 331 CG2 ILE A 24 6.346 -2.974 5.711 1.00 10.34 C ATOM 332 CD1 ILE A 24 5.084 0.240 5.812 1.00 23.34 C ATOM 0 H ILE A 24 7.214 0.066 8.150 1.00 10.10 H new ATOM 0 HA ILE A 24 6.623 -2.614 8.441 1.00 4.31 H new ATOM 0 HB ILE A 24 7.254 -1.054 5.900 1.00 50.43 H new ATOM 0 HG12 ILE A 24 4.452 -1.636 6.607 1.00 30.12 H new ATOM 0 HG13 ILE A 24 5.258 -0.597 7.766 1.00 30.12 H new ATOM 0 HG21 ILE A 24 5.856 -2.736 4.767 1.00 10.34 H new ATOM 0 HG22 ILE A 24 7.296 -3.471 5.512 1.00 10.34 H new ATOM 0 HG23 ILE A 24 5.706 -3.636 6.295 1.00 10.34 H new ATOM 0 HD11 ILE A 24 4.134 0.722 6.041 1.00 23.34 H new ATOM 0 HD12 ILE A 24 5.896 0.953 5.954 1.00 23.34 H new ATOM 0 HD13 ILE A 24 5.078 -0.102 4.777 1.00 23.34 H new ATOM 344 N GLU A 25 9.584 -2.081 7.048 1.00 53.13 N ATOM 345 CA GLU A 25 10.866 -2.705 6.742 1.00 54.21 C ATOM 346 C GLU A 25 11.425 -3.426 7.965 1.00 5.24 C ATOM 347 O GLU A 25 11.996 -4.511 7.854 1.00 53.03 O ATOM 348 CB GLU A 25 11.865 -1.655 6.253 1.00 21.01 C ATOM 349 CG GLU A 25 11.703 -1.297 4.785 1.00 53.50 C ATOM 350 CD GLU A 25 12.227 -2.377 3.859 1.00 62.31 C ATOM 351 OE1 GLU A 25 13.355 -2.861 4.089 1.00 10.45 O ATOM 352 OE2 GLU A 25 11.509 -2.739 2.904 1.00 12.32 O ATOM 0 H GLU A 25 9.540 -1.083 6.840 1.00 53.13 H new ATOM 0 HA GLU A 25 10.706 -3.438 5.952 1.00 54.21 H new ATOM 0 HB2 GLU A 25 11.753 -0.752 6.853 1.00 21.01 H new ATOM 0 HB3 GLU A 25 12.877 -2.024 6.419 1.00 21.01 H new ATOM 0 HG2 GLU A 25 10.648 -1.122 4.572 1.00 53.50 H new ATOM 0 HG3 GLU A 25 12.229 -0.364 4.582 1.00 53.50 H new ATOM 359 N LYS A 26 11.260 -2.813 9.132 1.00 74.10 N ATOM 360 CA LYS A 26 11.747 -3.394 10.378 1.00 24.33 C ATOM 361 C LYS A 26 10.986 -4.671 10.717 1.00 74.22 C ATOM 362 O LYS A 26 11.568 -5.755 10.776 1.00 71.32 O ATOM 363 CB LYS A 26 11.610 -2.387 11.522 1.00 33.53 C ATOM 364 CG LYS A 26 12.942 -1.923 12.087 1.00 52.11 C ATOM 365 CD LYS A 26 13.169 -2.458 13.492 1.00 74.24 C ATOM 366 CE LYS A 26 12.349 -1.692 14.519 1.00 53.32 C ATOM 367 NZ LYS A 26 13.215 -0.970 15.492 1.00 71.12 N ATOM 0 H LYS A 26 10.792 -1.913 9.241 1.00 74.10 H new ATOM 0 HA LYS A 26 12.800 -3.644 10.246 1.00 24.33 H new ATOM 0 HB2 LYS A 26 11.054 -1.520 11.167 1.00 33.53 H new ATOM 0 HB3 LYS A 26 11.022 -2.837 12.322 1.00 33.53 H new ATOM 0 HG2 LYS A 26 13.750 -2.255 11.435 1.00 52.11 H new ATOM 0 HG3 LYS A 26 12.972 -0.834 12.102 1.00 52.11 H new ATOM 0 HD2 LYS A 26 12.903 -3.515 13.528 1.00 74.24 H new ATOM 0 HD3 LYS A 26 14.227 -2.387 13.743 1.00 74.24 H new ATOM 0 HE2 LYS A 26 11.703 -0.978 14.009 1.00 53.32 H new ATOM 0 HE3 LYS A 26 11.699 -2.384 15.055 1.00 53.32 H new ATOM 0 HZ1 LYS A 26 12.619 -0.460 16.175 1.00 71.12 H new ATOM 0 HZ2 LYS A 26 13.814 -1.654 15.997 1.00 71.12 H new ATOM 0 HZ3 LYS A 26 13.817 -0.291 14.984 1.00 71.12 H new ATOM 381 N TYR A 27 9.683 -4.538 10.938 1.00 44.33 N ATOM 382 CA TYR A 27 8.843 -5.681 11.272 1.00 72.44 C ATOM 383 C TYR A 27 9.026 -6.806 10.257 1.00 14.34 C ATOM 384 O TYR A 27 9.109 -7.978 10.622 1.00 22.04 O ATOM 385 CB TYR A 27 7.372 -5.262 11.325 1.00 23.25 C ATOM 386 CG TYR A 27 6.431 -6.396 11.662 1.00 62.43 C ATOM 387 CD1 TYR A 27 5.924 -7.223 10.666 1.00 13.31 C ATOM 388 CD2 TYR A 27 6.049 -6.642 12.975 1.00 54.05 C ATOM 389 CE1 TYR A 27 5.063 -8.260 10.969 1.00 51.32 C ATOM 390 CE2 TYR A 27 5.190 -7.677 13.287 1.00 73.43 C ATOM 391 CZ TYR A 27 4.699 -8.483 12.280 1.00 71.40 C ATOM 392 OH TYR A 27 3.842 -9.515 12.587 1.00 71.14 O ATOM 0 H TYR A 27 9.185 -3.649 10.892 1.00 44.33 H new ATOM 0 HA TYR A 27 9.145 -6.047 12.253 1.00 72.44 H new ATOM 0 HB2 TYR A 27 7.255 -4.471 12.066 1.00 23.25 H new ATOM 0 HB3 TYR A 27 7.088 -4.840 10.361 1.00 23.25 H new ATOM 0 HD1 TYR A 27 6.208 -7.052 9.638 1.00 13.31 H new ATOM 0 HD2 TYR A 27 6.431 -6.013 13.765 1.00 54.05 H new ATOM 0 HE1 TYR A 27 4.677 -8.893 10.183 1.00 51.32 H new ATOM 0 HE2 TYR A 27 4.904 -7.855 14.313 1.00 73.43 H new ATOM 0 HH TYR A 27 3.777 -10.124 11.822 1.00 71.14 H new ATOM 402 N ALA A 28 9.087 -6.439 8.981 1.00 23.40 N ATOM 403 CA ALA A 28 9.262 -7.415 7.914 1.00 62.41 C ATOM 404 C ALA A 28 10.644 -8.058 7.979 1.00 50.03 C ATOM 405 O ALA A 28 10.777 -9.279 7.897 1.00 64.54 O ATOM 406 CB ALA A 28 9.048 -6.760 6.558 1.00 53.35 C ATOM 0 H ALA A 28 9.018 -5.473 8.662 1.00 23.40 H new ATOM 0 HA ALA A 28 8.517 -8.199 8.048 1.00 62.41 H new ATOM 0 HB1 ALA A 28 9.182 -7.502 5.770 1.00 53.35 H new ATOM 0 HB2 ALA A 28 8.038 -6.354 6.506 1.00 53.35 H new ATOM 0 HB3 ALA A 28 9.770 -5.955 6.425 1.00 53.35 H new ATOM 412 N LYS A 29 11.671 -7.228 8.126 1.00 10.14 N ATOM 413 CA LYS A 29 13.044 -7.714 8.204 1.00 51.13 C ATOM 414 C LYS A 29 13.225 -8.646 9.398 1.00 31.21 C ATOM 415 O LYS A 29 14.074 -9.537 9.379 1.00 4.41 O ATOM 416 CB LYS A 29 14.018 -6.538 8.308 1.00 72.22 C ATOM 417 CG LYS A 29 15.468 -6.963 8.466 1.00 52.33 C ATOM 418 CD LYS A 29 16.417 -5.800 8.229 1.00 71.11 C ATOM 419 CE LYS A 29 17.847 -6.164 8.600 1.00 22.43 C ATOM 420 NZ LYS A 29 18.348 -5.350 9.742 1.00 42.14 N ATOM 0 H LYS A 29 11.579 -6.214 8.194 1.00 10.14 H new ATOM 0 HA LYS A 29 13.257 -8.274 7.294 1.00 51.13 H new ATOM 0 HB2 LYS A 29 13.924 -5.919 7.416 1.00 72.22 H new ATOM 0 HB3 LYS A 29 13.735 -5.917 9.158 1.00 72.22 H new ATOM 0 HG2 LYS A 29 15.624 -7.363 9.468 1.00 52.33 H new ATOM 0 HG3 LYS A 29 15.692 -7.766 7.764 1.00 52.33 H new ATOM 0 HD2 LYS A 29 16.376 -5.503 7.181 1.00 71.11 H new ATOM 0 HD3 LYS A 29 16.095 -4.940 8.817 1.00 71.11 H new ATOM 0 HE2 LYS A 29 17.897 -7.222 8.858 1.00 22.43 H new ATOM 0 HE3 LYS A 29 18.495 -6.016 7.736 1.00 22.43 H new ATOM 0 HZ1 LYS A 29 19.325 -5.628 9.964 1.00 42.14 H new ATOM 0 HZ2 LYS A 29 18.324 -4.342 9.487 1.00 42.14 H new ATOM 0 HZ3 LYS A 29 17.745 -5.511 10.574 1.00 42.14 H new ATOM 434 N SER A 30 12.420 -8.435 10.434 1.00 14.52 N ATOM 435 CA SER A 30 12.493 -9.254 11.638 1.00 35.51 C ATOM 436 C SER A 30 11.721 -10.558 11.456 1.00 51.23 C ATOM 437 O SER A 30 12.200 -11.633 11.816 1.00 71.14 O ATOM 438 CB SER A 30 11.940 -8.485 12.839 1.00 4.11 C ATOM 439 OG SER A 30 12.652 -7.277 13.043 1.00 44.43 O ATOM 0 H SER A 30 11.710 -7.704 10.464 1.00 14.52 H new ATOM 0 HA SER A 30 13.540 -9.494 11.821 1.00 35.51 H new ATOM 0 HB2 SER A 30 10.884 -8.266 12.680 1.00 4.11 H new ATOM 0 HB3 SER A 30 12.006 -9.105 13.733 1.00 4.11 H new ATOM 0 HG SER A 30 12.405 -6.631 12.349 1.00 44.43 H new ATOM 445 N LYS A 31 10.522 -10.454 10.895 1.00 73.04 N ATOM 446 CA LYS A 31 9.681 -11.622 10.662 1.00 14.03 C ATOM 447 C LYS A 31 10.227 -12.465 9.514 1.00 53.14 C ATOM 448 O LYS A 31 9.859 -13.628 9.356 1.00 63.21 O ATOM 449 CB LYS A 31 8.245 -11.190 10.355 1.00 70.04 C ATOM 450 CG LYS A 31 7.469 -10.742 11.580 1.00 52.40 C ATOM 451 CD LYS A 31 7.322 -11.867 12.590 1.00 14.01 C ATOM 452 CE LYS A 31 5.914 -11.918 13.166 1.00 4.01 C ATOM 453 NZ LYS A 31 5.732 -10.938 14.272 1.00 54.24 N ATOM 0 H LYS A 31 10.110 -9.571 10.593 1.00 73.04 H new ATOM 0 HA LYS A 31 9.685 -12.228 11.568 1.00 14.03 H new ATOM 0 HB2 LYS A 31 8.267 -10.375 9.631 1.00 70.04 H new ATOM 0 HB3 LYS A 31 7.718 -12.020 9.885 1.00 70.04 H new ATOM 0 HG2 LYS A 31 7.978 -9.898 12.046 1.00 52.40 H new ATOM 0 HG3 LYS A 31 6.482 -10.392 11.278 1.00 52.40 H new ATOM 0 HD2 LYS A 31 7.556 -12.819 12.113 1.00 14.01 H new ATOM 0 HD3 LYS A 31 8.042 -11.730 13.397 1.00 14.01 H new ATOM 0 HE2 LYS A 31 5.191 -11.713 12.377 1.00 4.01 H new ATOM 0 HE3 LYS A 31 5.708 -12.923 13.534 1.00 4.01 H new ATOM 0 HZ1 LYS A 31 5.252 -11.401 15.070 1.00 54.24 H new ATOM 0 HZ2 LYS A 31 6.661 -10.588 14.582 1.00 54.24 H new ATOM 0 HZ3 LYS A 31 5.155 -10.140 13.937 1.00 54.24 H new ATOM 467 N ASN A 32 11.106 -11.869 8.715 1.00 64.41 N ATOM 468 CA ASN A 32 11.703 -12.567 7.581 1.00 74.15 C ATOM 469 C ASN A 32 10.642 -12.935 6.549 1.00 34.41 C ATOM 470 O ASN A 32 10.429 -14.113 6.257 1.00 32.32 O ATOM 471 CB ASN A 32 12.429 -13.827 8.056 1.00 71.23 C ATOM 472 CG ASN A 32 13.574 -14.213 7.140 1.00 21.44 C ATOM 473 OD1 ASN A 32 14.524 -13.451 6.960 1.00 64.40 O ATOM 474 ND2 ASN A 32 13.489 -15.403 6.556 1.00 63.22 N ATOM 0 H ASN A 32 11.421 -10.906 8.831 1.00 64.41 H new ATOM 0 HA ASN A 32 12.423 -11.897 7.111 1.00 74.15 H new ATOM 0 HB2 ASN A 32 12.812 -13.665 9.064 1.00 71.23 H new ATOM 0 HB3 ASN A 32 11.719 -14.652 8.114 1.00 71.23 H new ATOM 0 HD21 ASN A 32 14.230 -15.718 5.929 1.00 63.22 H new ATOM 0 HD22 ASN A 32 12.683 -16.002 6.734 1.00 63.22 H new ATOM 481 N ILE A 33 9.980 -11.923 6.001 1.00 51.23 N ATOM 482 CA ILE A 33 8.942 -12.140 5.000 1.00 32.45 C ATOM 483 C ILE A 33 9.394 -11.660 3.625 1.00 11.33 C ATOM 484 O ILE A 33 10.096 -10.656 3.507 1.00 12.24 O ATOM 485 CB ILE A 33 7.635 -11.419 5.380 1.00 62.44 C ATOM 486 CG1 ILE A 33 7.132 -11.910 6.739 1.00 73.14 C ATOM 487 CG2 ILE A 33 6.579 -11.639 4.307 1.00 60.11 C ATOM 488 CD1 ILE A 33 6.158 -10.961 7.401 1.00 60.11 C ATOM 0 H ILE A 33 10.144 -10.943 6.233 1.00 51.23 H new ATOM 0 HA ILE A 33 8.758 -13.214 4.964 1.00 32.45 H new ATOM 0 HB ILE A 33 7.835 -10.350 5.453 1.00 62.44 H new ATOM 0 HG12 ILE A 33 6.652 -12.880 6.611 1.00 73.14 H new ATOM 0 HG13 ILE A 33 7.985 -12.062 7.400 1.00 73.14 H new ATOM 0 HG21 ILE A 33 5.661 -11.124 4.589 1.00 60.11 H new ATOM 0 HG22 ILE A 33 6.939 -11.245 3.356 1.00 60.11 H new ATOM 0 HG23 ILE A 33 6.380 -12.706 4.206 1.00 60.11 H new ATOM 0 HD11 ILE A 33 5.843 -11.373 8.360 1.00 60.11 H new ATOM 0 HD12 ILE A 33 6.641 -9.997 7.561 1.00 60.11 H new ATOM 0 HD13 ILE A 33 5.287 -10.828 6.760 1.00 60.11 H new ATOM 500 N ASN A 34 8.986 -12.383 2.588 1.00 22.01 N ATOM 501 CA ASN A 34 9.348 -12.031 1.220 1.00 2.45 C ATOM 502 C ASN A 34 8.369 -11.013 0.644 1.00 35.31 C ATOM 503 O ASN A 34 7.439 -11.372 -0.080 1.00 41.11 O ATOM 504 CB ASN A 34 9.379 -13.281 0.340 1.00 4.11 C ATOM 505 CG ASN A 34 10.635 -14.105 0.550 1.00 12.23 C ATOM 506 OD1 ASN A 34 11.734 -13.563 0.663 1.00 61.53 O ATOM 507 ND2 ASN A 34 10.475 -15.423 0.604 1.00 3.23 N ATOM 0 H ASN A 34 8.404 -13.217 2.669 1.00 22.01 H new ATOM 0 HA ASN A 34 10.342 -11.584 1.237 1.00 2.45 H new ATOM 0 HB2 ASN A 34 8.505 -13.895 0.555 1.00 4.11 H new ATOM 0 HB3 ASN A 34 9.312 -12.986 -0.707 1.00 4.11 H new ATOM 0 HD21 ASN A 34 11.283 -16.030 0.744 1.00 3.23 H new ATOM 0 HD22 ASN A 34 9.544 -15.828 0.505 1.00 3.23 H new ATOM 514 N ALA A 35 8.583 -9.743 0.969 1.00 2.42 N ATOM 515 CA ALA A 35 7.721 -8.673 0.482 1.00 72.13 C ATOM 516 C ALA A 35 8.513 -7.389 0.257 1.00 20.02 C ATOM 517 O ALA A 35 9.647 -7.258 0.718 1.00 13.03 O ATOM 518 CB ALA A 35 6.580 -8.428 1.458 1.00 4.02 C ATOM 0 H ALA A 35 9.347 -9.429 1.568 1.00 2.42 H new ATOM 0 HA ALA A 35 7.304 -8.984 -0.476 1.00 72.13 H new ATOM 0 HB1 ALA A 35 5.945 -7.626 1.081 1.00 4.02 H new ATOM 0 HB2 ALA A 35 5.990 -9.339 1.565 1.00 4.02 H new ATOM 0 HB3 ALA A 35 6.986 -8.143 2.429 1.00 4.02 H new ATOM 524 N THR A 36 7.908 -6.443 -0.456 1.00 61.12 N ATOM 525 CA THR A 36 8.557 -5.170 -0.743 1.00 61.13 C ATOM 526 C THR A 36 7.559 -4.020 -0.692 1.00 52.03 C ATOM 527 O THR A 36 6.348 -4.233 -0.770 1.00 53.22 O ATOM 528 CB THR A 36 9.236 -5.186 -2.126 1.00 54.11 C ATOM 529 OG1 THR A 36 8.765 -6.300 -2.891 1.00 31.50 O ATOM 530 CG2 THR A 36 10.748 -5.264 -1.986 1.00 22.01 C ATOM 0 H THR A 36 6.970 -6.535 -0.845 1.00 61.12 H new ATOM 0 HA THR A 36 9.316 -5.022 0.025 1.00 61.13 H new ATOM 0 HB THR A 36 8.982 -4.259 -2.641 1.00 54.11 H new ATOM 0 HG1 THR A 36 8.238 -5.976 -3.651 1.00 31.50 H new ATOM 0 HG21 THR A 36 11.205 -5.274 -2.976 1.00 22.01 H new ATOM 0 HG22 THR A 36 11.107 -4.398 -1.429 1.00 22.01 H new ATOM 0 HG23 THR A 36 11.017 -6.176 -1.453 1.00 22.01 H new ATOM 538 N ILE A 37 8.072 -2.802 -0.563 1.00 44.41 N ATOM 539 CA ILE A 37 7.225 -1.618 -0.504 1.00 50.33 C ATOM 540 C ILE A 37 7.919 -0.413 -1.131 1.00 53.32 C ATOM 541 O ILE A 37 9.145 -0.313 -1.114 1.00 14.22 O ATOM 542 CB ILE A 37 6.836 -1.275 0.946 1.00 21.41 C ATOM 543 CG1 ILE A 37 5.768 -0.179 0.965 1.00 33.31 C ATOM 544 CG2 ILE A 37 8.062 -0.841 1.735 1.00 61.35 C ATOM 545 CD1 ILE A 37 4.755 -0.344 2.076 1.00 13.14 C ATOM 0 H ILE A 37 9.071 -2.609 -0.497 1.00 44.41 H new ATOM 0 HA ILE A 37 6.322 -1.849 -1.069 1.00 50.33 H new ATOM 0 HB ILE A 37 6.423 -2.167 1.416 1.00 21.41 H new ATOM 0 HG12 ILE A 37 6.255 0.790 1.069 1.00 33.31 H new ATOM 0 HG13 ILE A 37 5.248 -0.173 0.007 1.00 33.31 H new ATOM 0 HG21 ILE A 37 7.771 -0.602 2.758 1.00 61.35 H new ATOM 0 HG22 ILE A 37 8.793 -1.650 1.745 1.00 61.35 H new ATOM 0 HG23 ILE A 37 8.502 0.040 1.268 1.00 61.35 H new ATOM 0 HD11 ILE A 37 4.028 0.467 2.029 1.00 13.14 H new ATOM 0 HD12 ILE A 37 4.241 -1.298 1.961 1.00 13.14 H new ATOM 0 HD13 ILE A 37 5.264 -0.320 3.039 1.00 13.14 H new ATOM 557 N GLU A 38 7.125 0.500 -1.682 1.00 72.10 N ATOM 558 CA GLU A 38 7.663 1.699 -2.313 1.00 43.12 C ATOM 559 C GLU A 38 6.616 2.809 -2.355 1.00 4.42 C ATOM 560 O GLU A 38 5.428 2.564 -2.152 1.00 61.44 O ATOM 561 CB GLU A 38 8.145 1.384 -3.730 1.00 2.11 C ATOM 562 CG GLU A 38 9.552 1.879 -4.019 1.00 21.41 C ATOM 563 CD GLU A 38 10.619 0.981 -3.424 1.00 44.03 C ATOM 564 OE1 GLU A 38 10.863 -0.106 -3.988 1.00 21.12 O ATOM 565 OE2 GLU A 38 11.212 1.367 -2.395 1.00 25.02 O ATOM 0 H GLU A 38 6.108 0.432 -1.704 1.00 72.10 H new ATOM 0 HA GLU A 38 8.509 2.043 -1.717 1.00 43.12 H new ATOM 0 HB2 GLU A 38 8.109 0.306 -3.885 1.00 2.11 H new ATOM 0 HB3 GLU A 38 7.457 1.832 -4.447 1.00 2.11 H new ATOM 0 HG2 GLU A 38 9.696 1.943 -5.097 1.00 21.41 H new ATOM 0 HG3 GLU A 38 9.667 2.887 -3.621 1.00 21.41 H new ATOM 572 N ALA A 39 7.069 4.031 -2.618 1.00 31.04 N ATOM 573 CA ALA A 39 6.173 5.179 -2.688 1.00 22.22 C ATOM 574 C ALA A 39 6.455 6.020 -3.928 1.00 15.43 C ATOM 575 O ALA A 39 7.603 6.369 -4.205 1.00 32.13 O ATOM 576 CB ALA A 39 6.302 6.026 -1.431 1.00 53.22 C ATOM 0 H ALA A 39 8.051 4.251 -2.786 1.00 31.04 H new ATOM 0 HA ALA A 39 5.151 4.808 -2.759 1.00 22.22 H new ATOM 0 HB1 ALA A 39 5.627 6.880 -1.497 1.00 53.22 H new ATOM 0 HB2 ALA A 39 6.043 5.425 -0.559 1.00 53.22 H new ATOM 0 HB3 ALA A 39 7.328 6.381 -1.335 1.00 53.22 H new ATOM 582 N ILE A 40 5.401 6.342 -4.669 1.00 54.53 N ATOM 583 CA ILE A 40 5.536 7.144 -5.880 1.00 4.51 C ATOM 584 C ILE A 40 4.258 7.926 -6.167 1.00 30.22 C ATOM 585 O ILE A 40 3.291 7.853 -5.410 1.00 12.23 O ATOM 586 CB ILE A 40 5.875 6.268 -7.100 1.00 14.31 C ATOM 587 CG1 ILE A 40 4.928 5.069 -7.173 1.00 35.23 C ATOM 588 CG2 ILE A 40 7.322 5.804 -7.035 1.00 1.03 C ATOM 589 CD1 ILE A 40 4.263 4.903 -8.521 1.00 11.52 C ATOM 0 H ILE A 40 4.445 6.061 -4.453 1.00 54.53 H new ATOM 0 HA ILE A 40 6.355 7.843 -5.707 1.00 4.51 H new ATOM 0 HB ILE A 40 5.746 6.864 -8.003 1.00 14.31 H new ATOM 0 HG12 ILE A 40 5.485 4.162 -6.938 1.00 35.23 H new ATOM 0 HG13 ILE A 40 4.159 5.177 -6.409 1.00 35.23 H new ATOM 0 HG21 ILE A 40 7.545 5.186 -7.905 1.00 1.03 H new ATOM 0 HG22 ILE A 40 7.982 6.671 -7.027 1.00 1.03 H new ATOM 0 HG23 ILE A 40 7.477 5.222 -6.127 1.00 1.03 H new ATOM 0 HD11 ILE A 40 3.606 4.033 -8.498 1.00 11.52 H new ATOM 0 HD12 ILE A 40 3.678 5.794 -8.750 1.00 11.52 H new ATOM 0 HD13 ILE A 40 5.025 4.762 -9.288 1.00 11.52 H new ATOM 601 N ALA A 41 4.263 8.671 -7.267 1.00 15.10 N ATOM 602 CA ALA A 41 3.102 9.463 -7.657 1.00 43.45 C ATOM 603 C ALA A 41 2.073 8.606 -8.387 1.00 4.31 C ATOM 604 O ALA A 41 2.253 7.399 -8.538 1.00 53.24 O ATOM 605 CB ALA A 41 3.531 10.634 -8.530 1.00 24.52 C ATOM 0 H ALA A 41 5.057 8.743 -7.904 1.00 15.10 H new ATOM 0 HA ALA A 41 2.636 9.851 -6.751 1.00 43.45 H new ATOM 0 HB1 ALA A 41 2.655 11.217 -8.814 1.00 24.52 H new ATOM 0 HB2 ALA A 41 4.223 11.267 -7.975 1.00 24.52 H new ATOM 0 HB3 ALA A 41 4.023 10.258 -9.427 1.00 24.52 H new ATOM 611 N GLU A 42 0.995 9.240 -8.836 1.00 52.42 N ATOM 612 CA GLU A 42 -0.064 8.534 -9.549 1.00 73.24 C ATOM 613 C GLU A 42 0.321 8.306 -11.008 1.00 62.25 C ATOM 614 O GLU A 42 -0.083 7.318 -11.622 1.00 62.00 O ATOM 615 CB GLU A 42 -1.374 9.322 -9.472 1.00 43.13 C ATOM 616 CG GLU A 42 -1.245 10.763 -9.935 1.00 41.32 C ATOM 617 CD GLU A 42 -1.371 11.755 -8.794 1.00 45.30 C ATOM 618 OE1 GLU A 42 -2.477 11.868 -8.226 1.00 73.13 O ATOM 619 OE2 GLU A 42 -0.363 12.417 -8.470 1.00 51.32 O ATOM 0 H GLU A 42 0.831 10.240 -8.719 1.00 52.42 H new ATOM 0 HA GLU A 42 -0.204 7.564 -9.073 1.00 73.24 H new ATOM 0 HB2 GLU A 42 -2.127 8.820 -10.080 1.00 43.13 H new ATOM 0 HB3 GLU A 42 -1.735 9.311 -8.444 1.00 43.13 H new ATOM 0 HG2 GLU A 42 -0.281 10.899 -10.425 1.00 41.32 H new ATOM 0 HG3 GLU A 42 -2.013 10.972 -10.680 1.00 41.32 H new ATOM 626 N THR A 43 1.104 9.228 -11.559 1.00 2.13 N ATOM 627 CA THR A 43 1.543 9.130 -12.945 1.00 20.23 C ATOM 628 C THR A 43 2.338 7.851 -13.181 1.00 52.03 C ATOM 629 O THR A 43 2.229 7.227 -14.237 1.00 74.30 O ATOM 630 CB THR A 43 2.407 10.339 -13.347 1.00 61.04 C ATOM 631 OG1 THR A 43 3.701 10.241 -12.741 1.00 54.34 O ATOM 632 CG2 THR A 43 1.743 11.643 -12.930 1.00 22.25 C ATOM 0 H THR A 43 1.447 10.052 -11.066 1.00 2.13 H new ATOM 0 HA THR A 43 0.644 9.114 -13.561 1.00 20.23 H new ATOM 0 HB THR A 43 2.514 10.335 -14.432 1.00 61.04 H new ATOM 0 HG1 THR A 43 4.244 11.013 -13.003 1.00 54.34 H new ATOM 0 HG21 THR A 43 2.373 12.482 -13.225 1.00 22.25 H new ATOM 0 HG22 THR A 43 0.772 11.729 -13.417 1.00 22.25 H new ATOM 0 HG23 THR A 43 1.608 11.653 -11.848 1.00 22.25 H new ATOM 640 N ARG A 44 3.137 7.465 -12.191 1.00 32.22 N ATOM 641 CA ARG A 44 3.950 6.259 -12.292 1.00 12.20 C ATOM 642 C ARG A 44 3.230 5.064 -11.674 1.00 22.42 C ATOM 643 O ARG A 44 3.569 3.912 -11.948 1.00 0.11 O ATOM 644 CB ARG A 44 5.299 6.469 -11.600 1.00 13.42 C ATOM 645 CG ARG A 44 6.397 6.943 -12.538 1.00 13.41 C ATOM 646 CD ARG A 44 7.531 7.609 -11.775 1.00 4.05 C ATOM 647 NE ARG A 44 8.285 8.537 -12.614 1.00 11.11 N ATOM 648 CZ ARG A 44 9.211 8.154 -13.485 1.00 71.23 C ATOM 649 NH1 ARG A 44 9.497 6.868 -13.631 1.00 64.21 N ATOM 650 NH2 ARG A 44 9.854 9.059 -14.212 1.00 70.44 N ATOM 0 H ARG A 44 3.238 7.970 -11.311 1.00 32.22 H new ATOM 0 HA ARG A 44 4.119 6.052 -13.349 1.00 12.20 H new ATOM 0 HB2 ARG A 44 5.177 7.198 -10.799 1.00 13.42 H new ATOM 0 HB3 ARG A 44 5.609 5.533 -11.135 1.00 13.42 H new ATOM 0 HG2 ARG A 44 6.785 6.096 -13.103 1.00 13.41 H new ATOM 0 HG3 ARG A 44 5.982 7.645 -13.261 1.00 13.41 H new ATOM 0 HD2 ARG A 44 7.125 8.144 -10.917 1.00 4.05 H new ATOM 0 HD3 ARG A 44 8.203 6.845 -11.385 1.00 4.05 H new ATOM 0 HE ARG A 44 8.089 9.534 -12.526 1.00 11.11 H new ATOM 0 HH11 ARG A 44 9.005 6.170 -13.073 1.00 64.21 H new ATOM 0 HH12 ARG A 44 10.209 6.577 -14.301 1.00 64.21 H new ATOM 0 HH21 ARG A 44 9.637 10.050 -14.102 1.00 70.44 H new ATOM 0 HH22 ARG A 44 10.565 8.764 -14.881 1.00 70.44 H new ATOM 664 N LEU A 45 2.235 5.346 -10.840 1.00 23.44 N ATOM 665 CA LEU A 45 1.467 4.294 -10.181 1.00 43.44 C ATOM 666 C LEU A 45 0.949 3.282 -11.198 1.00 52.03 C ATOM 667 O LEU A 45 1.177 2.080 -11.064 1.00 5.44 O ATOM 668 CB LEU A 45 0.297 4.901 -9.406 1.00 72.52 C ATOM 669 CG LEU A 45 -0.802 3.926 -8.980 1.00 52.31 C ATOM 670 CD1 LEU A 45 -1.395 4.341 -7.642 1.00 11.40 C ATOM 671 CD2 LEU A 45 -1.888 3.848 -10.045 1.00 44.52 C ATOM 0 H LEU A 45 1.941 6.294 -10.604 1.00 23.44 H new ATOM 0 HA LEU A 45 2.126 3.776 -9.484 1.00 43.44 H new ATOM 0 HB2 LEU A 45 0.691 5.386 -8.513 1.00 72.52 H new ATOM 0 HB3 LEU A 45 -0.154 5.681 -10.020 1.00 72.52 H new ATOM 0 HG LEU A 45 -0.359 2.936 -8.867 1.00 52.31 H new ATOM 0 HD11 LEU A 45 -2.175 3.636 -7.355 1.00 11.40 H new ATOM 0 HD12 LEU A 45 -0.613 4.345 -6.883 1.00 11.40 H new ATOM 0 HD13 LEU A 45 -1.823 5.340 -7.728 1.00 11.40 H new ATOM 0 HD21 LEU A 45 -2.662 3.150 -9.725 1.00 44.52 H new ATOM 0 HD22 LEU A 45 -2.327 4.835 -10.190 1.00 44.52 H new ATOM 0 HD23 LEU A 45 -1.453 3.503 -10.983 1.00 44.52 H new ATOM 683 N SER A 46 0.252 3.777 -12.216 1.00 31.21 N ATOM 684 CA SER A 46 -0.300 2.915 -13.255 1.00 42.13 C ATOM 685 C SER A 46 0.812 2.311 -14.108 1.00 2.43 C ATOM 686 O SER A 46 0.577 1.392 -14.891 1.00 23.24 O ATOM 687 CB SER A 46 -1.266 3.704 -14.141 1.00 2.11 C ATOM 688 OG SER A 46 -1.521 4.989 -13.600 1.00 30.45 O ATOM 0 H SER A 46 0.056 4.770 -12.343 1.00 31.21 H new ATOM 0 HA SER A 46 -0.843 2.104 -12.769 1.00 42.13 H new ATOM 0 HB2 SER A 46 -0.847 3.804 -15.142 1.00 2.11 H new ATOM 0 HB3 SER A 46 -2.203 3.156 -14.241 1.00 2.11 H new ATOM 0 HG SER A 46 -2.140 5.474 -14.186 1.00 30.45 H new ATOM 694 N GLU A 47 2.022 2.838 -13.949 1.00 62.33 N ATOM 695 CA GLU A 47 3.171 2.351 -14.705 1.00 61.01 C ATOM 696 C GLU A 47 3.914 1.269 -13.928 1.00 65.42 C ATOM 697 O GLU A 47 4.658 0.475 -14.505 1.00 72.11 O ATOM 698 CB GLU A 47 4.121 3.506 -15.030 1.00 62.44 C ATOM 699 CG GLU A 47 3.489 4.593 -15.883 1.00 20.41 C ATOM 700 CD GLU A 47 4.519 5.450 -16.593 1.00 73.44 C ATOM 701 OE1 GLU A 47 5.703 5.402 -16.202 1.00 65.40 O ATOM 702 OE2 GLU A 47 4.139 6.169 -17.541 1.00 64.22 O ATOM 0 H GLU A 47 2.232 3.601 -13.305 1.00 62.33 H new ATOM 0 HA GLU A 47 2.805 1.918 -15.636 1.00 61.01 H new ATOM 0 HB2 GLU A 47 4.475 3.947 -14.098 1.00 62.44 H new ATOM 0 HB3 GLU A 47 4.995 3.111 -15.548 1.00 62.44 H new ATOM 0 HG2 GLU A 47 2.832 4.134 -16.622 1.00 20.41 H new ATOM 0 HG3 GLU A 47 2.866 5.228 -15.253 1.00 20.41 H new ATOM 709 N VAL A 48 3.709 1.244 -12.615 1.00 73.45 N ATOM 710 CA VAL A 48 4.359 0.260 -11.759 1.00 31.15 C ATOM 711 C VAL A 48 3.419 -0.898 -11.440 1.00 62.31 C ATOM 712 O VAL A 48 3.860 -2.023 -11.206 1.00 34.22 O ATOM 713 CB VAL A 48 4.839 0.894 -10.440 1.00 24.11 C ATOM 714 CG1 VAL A 48 5.932 1.917 -10.707 1.00 10.30 C ATOM 715 CG2 VAL A 48 3.673 1.528 -9.698 1.00 14.11 C ATOM 0 H VAL A 48 3.098 1.894 -12.121 1.00 73.45 H new ATOM 0 HA VAL A 48 5.222 -0.117 -12.308 1.00 31.15 H new ATOM 0 HB VAL A 48 5.256 0.108 -9.810 1.00 24.11 H new ATOM 0 HG11 VAL A 48 6.259 2.355 -9.764 1.00 10.30 H new ATOM 0 HG12 VAL A 48 6.777 1.429 -11.193 1.00 10.30 H new ATOM 0 HG13 VAL A 48 5.545 2.702 -11.356 1.00 10.30 H new ATOM 0 HG21 VAL A 48 4.031 1.971 -8.769 1.00 14.11 H new ATOM 0 HG22 VAL A 48 3.224 2.302 -10.320 1.00 14.11 H new ATOM 0 HG23 VAL A 48 2.927 0.766 -9.473 1.00 14.11 H new ATOM 725 N VAL A 49 2.120 -0.614 -11.434 1.00 4.11 N ATOM 726 CA VAL A 49 1.116 -1.632 -11.146 1.00 2.44 C ATOM 727 C VAL A 49 1.317 -2.864 -12.020 1.00 63.10 C ATOM 728 O VAL A 49 0.993 -3.982 -11.618 1.00 4.24 O ATOM 729 CB VAL A 49 -0.309 -1.090 -11.360 1.00 54.45 C ATOM 730 CG1 VAL A 49 -0.645 -0.039 -10.313 1.00 60.51 C ATOM 731 CG2 VAL A 49 -0.458 -0.521 -12.763 1.00 63.32 C ATOM 0 H VAL A 49 1.738 0.312 -11.625 1.00 4.11 H new ATOM 0 HA VAL A 49 1.237 -1.910 -10.099 1.00 2.44 H new ATOM 0 HB VAL A 49 -1.012 -1.916 -11.250 1.00 54.45 H new ATOM 0 HG11 VAL A 49 -1.656 0.332 -10.481 1.00 60.51 H new ATOM 0 HG12 VAL A 49 -0.582 -0.482 -9.319 1.00 60.51 H new ATOM 0 HG13 VAL A 49 0.062 0.788 -10.387 1.00 60.51 H new ATOM 0 HG21 VAL A 49 -1.471 -0.143 -12.896 1.00 63.32 H new ATOM 0 HG22 VAL A 49 0.254 0.292 -12.903 1.00 63.32 H new ATOM 0 HG23 VAL A 49 -0.264 -1.304 -13.496 1.00 63.32 H new ATOM 741 N ASP A 50 1.853 -2.653 -13.217 1.00 4.33 N ATOM 742 CA ASP A 50 2.099 -3.748 -14.148 1.00 53.02 C ATOM 743 C ASP A 50 2.953 -4.832 -13.499 1.00 31.11 C ATOM 744 O ASP A 50 2.881 -6.002 -13.877 1.00 44.42 O ATOM 745 CB ASP A 50 2.788 -3.226 -15.410 1.00 63.01 C ATOM 746 CG ASP A 50 2.551 -4.121 -16.611 1.00 71.44 C ATOM 747 OD1 ASP A 50 1.481 -4.763 -16.670 1.00 74.25 O ATOM 748 OD2 ASP A 50 3.434 -4.179 -17.491 1.00 21.50 O ATOM 0 H ASP A 50 2.125 -1.734 -13.565 1.00 4.33 H new ATOM 0 HA ASP A 50 1.138 -4.183 -14.421 1.00 53.02 H new ATOM 0 HB2 ASP A 50 2.424 -2.223 -15.631 1.00 63.01 H new ATOM 0 HB3 ASP A 50 3.859 -3.143 -15.228 1.00 63.01 H new ATOM 753 N ARG A 51 3.760 -4.436 -12.520 1.00 65.11 N ATOM 754 CA ARG A 51 4.630 -5.374 -11.820 1.00 42.32 C ATOM 755 C ARG A 51 4.149 -5.597 -10.390 1.00 75.31 C ATOM 756 O ARG A 51 4.156 -6.723 -9.890 1.00 3.12 O ATOM 757 CB ARG A 51 6.070 -4.857 -11.811 1.00 31.51 C ATOM 758 CG ARG A 51 6.591 -4.483 -13.188 1.00 45.44 C ATOM 759 CD ARG A 51 8.078 -4.780 -13.320 1.00 13.20 C ATOM 760 NE ARG A 51 8.724 -3.909 -14.298 1.00 3.01 N ATOM 761 CZ ARG A 51 10.023 -3.955 -14.577 1.00 73.52 C ATOM 762 NH1 ARG A 51 10.807 -4.825 -13.957 1.00 24.12 N ATOM 763 NH2 ARG A 51 10.537 -3.130 -15.479 1.00 65.23 N ATOM 0 H ARG A 51 3.830 -3.472 -12.194 1.00 65.11 H new ATOM 0 HA ARG A 51 4.597 -6.327 -12.349 1.00 42.32 H new ATOM 0 HB2 ARG A 51 6.130 -3.985 -11.160 1.00 31.51 H new ATOM 0 HB3 ARG A 51 6.719 -5.621 -11.381 1.00 31.51 H new ATOM 0 HG2 ARG A 51 6.039 -5.035 -13.949 1.00 45.44 H new ATOM 0 HG3 ARG A 51 6.413 -3.423 -13.370 1.00 45.44 H new ATOM 0 HD2 ARG A 51 8.560 -4.657 -12.350 1.00 13.20 H new ATOM 0 HD3 ARG A 51 8.215 -5.820 -13.614 1.00 13.20 H new ATOM 0 HE ARG A 51 8.148 -3.229 -14.794 1.00 3.01 H new ATOM 0 HH11 ARG A 51 10.414 -5.462 -13.264 1.00 24.12 H new ATOM 0 HH12 ARG A 51 11.803 -4.858 -14.173 1.00 24.12 H new ATOM 0 HH21 ARG A 51 9.936 -2.460 -15.959 1.00 65.23 H new ATOM 0 HH22 ARG A 51 11.534 -3.165 -15.693 1.00 65.23 H new ATOM 777 N PHE A 52 3.731 -4.518 -9.736 1.00 73.31 N ATOM 778 CA PHE A 52 3.247 -4.596 -8.363 1.00 62.42 C ATOM 779 C PHE A 52 2.080 -5.572 -8.252 1.00 23.14 C ATOM 780 O PHE A 52 1.660 -6.170 -9.242 1.00 72.42 O ATOM 781 CB PHE A 52 2.818 -3.211 -7.871 1.00 61.53 C ATOM 782 CG PHE A 52 3.931 -2.430 -7.235 1.00 73.02 C ATOM 783 CD1 PHE A 52 4.557 -2.896 -6.091 1.00 65.52 C ATOM 784 CD2 PHE A 52 4.351 -1.227 -7.781 1.00 53.21 C ATOM 785 CE1 PHE A 52 5.582 -2.180 -5.503 1.00 45.33 C ATOM 786 CE2 PHE A 52 5.375 -0.506 -7.198 1.00 4.00 C ATOM 787 CZ PHE A 52 5.991 -0.982 -6.057 1.00 62.20 C ATOM 0 H PHE A 52 3.718 -3.579 -10.135 1.00 73.31 H new ATOM 0 HA PHE A 52 4.062 -4.960 -7.737 1.00 62.42 H new ATOM 0 HB2 PHE A 52 2.420 -2.643 -8.712 1.00 61.53 H new ATOM 0 HB3 PHE A 52 2.007 -3.325 -7.151 1.00 61.53 H new ATOM 0 HD1 PHE A 52 4.240 -3.831 -5.653 1.00 65.52 H new ATOM 0 HD2 PHE A 52 3.872 -0.849 -8.672 1.00 53.21 H new ATOM 0 HE1 PHE A 52 6.063 -2.556 -4.612 1.00 45.33 H new ATOM 0 HE2 PHE A 52 5.694 0.429 -7.634 1.00 4.00 H new ATOM 0 HZ PHE A 52 6.791 -0.419 -5.599 1.00 62.20 H new ATOM 797 N ASP A 53 1.560 -5.729 -7.039 1.00 3.35 N ATOM 798 CA ASP A 53 0.441 -6.632 -6.796 1.00 51.50 C ATOM 799 C ASP A 53 -0.610 -5.968 -5.912 1.00 62.22 C ATOM 800 O ASP A 53 -1.811 -6.104 -6.149 1.00 21.53 O ATOM 801 CB ASP A 53 0.934 -7.924 -6.143 1.00 53.20 C ATOM 802 CG ASP A 53 1.777 -8.763 -7.082 1.00 54.33 C ATOM 803 OD1 ASP A 53 2.819 -8.260 -7.552 1.00 62.33 O ATOM 804 OD2 ASP A 53 1.395 -9.922 -7.349 1.00 54.11 O ATOM 0 H ASP A 53 1.896 -5.242 -6.208 1.00 3.35 H new ATOM 0 HA ASP A 53 -0.017 -6.872 -7.756 1.00 51.50 H new ATOM 0 HB2 ASP A 53 1.518 -7.679 -5.256 1.00 53.20 H new ATOM 0 HB3 ASP A 53 0.077 -8.509 -5.809 1.00 53.20 H new ATOM 809 N VAL A 54 -0.151 -5.250 -4.892 1.00 2.22 N ATOM 810 CA VAL A 54 -1.052 -4.566 -3.973 1.00 3.43 C ATOM 811 C VAL A 54 -0.789 -3.063 -3.962 1.00 15.14 C ATOM 812 O VAL A 54 0.352 -2.621 -4.092 1.00 4.05 O ATOM 813 CB VAL A 54 -0.910 -5.110 -2.539 1.00 30.23 C ATOM 814 CG1 VAL A 54 -1.985 -4.524 -1.636 1.00 53.15 C ATOM 815 CG2 VAL A 54 -0.973 -6.630 -2.538 1.00 63.32 C ATOM 0 H VAL A 54 0.839 -5.127 -4.682 1.00 2.22 H new ATOM 0 HA VAL A 54 -2.066 -4.753 -4.326 1.00 3.43 H new ATOM 0 HB VAL A 54 0.062 -4.808 -2.149 1.00 30.23 H new ATOM 0 HG11 VAL A 54 -1.868 -4.920 -0.627 1.00 53.15 H new ATOM 0 HG12 VAL A 54 -1.889 -3.438 -1.613 1.00 53.15 H new ATOM 0 HG13 VAL A 54 -2.969 -4.793 -2.020 1.00 53.15 H new ATOM 0 HG21 VAL A 54 -0.871 -6.998 -1.517 1.00 63.32 H new ATOM 0 HG22 VAL A 54 -1.930 -6.955 -2.947 1.00 63.32 H new ATOM 0 HG23 VAL A 54 -0.163 -7.028 -3.150 1.00 63.32 H new ATOM 825 N VAL A 55 -1.854 -2.283 -3.806 1.00 43.12 N ATOM 826 CA VAL A 55 -1.740 -0.830 -3.778 1.00 5.12 C ATOM 827 C VAL A 55 -2.326 -0.258 -2.491 1.00 72.42 C ATOM 828 O VAL A 55 -3.247 -0.831 -1.907 1.00 63.41 O ATOM 829 CB VAL A 55 -2.449 -0.187 -4.983 1.00 54.33 C ATOM 830 CG1 VAL A 55 -2.138 1.301 -5.055 1.00 11.34 C ATOM 831 CG2 VAL A 55 -2.048 -0.886 -6.273 1.00 61.13 C ATOM 0 H VAL A 55 -2.806 -2.633 -3.697 1.00 43.12 H new ATOM 0 HA VAL A 55 -0.677 -0.595 -3.826 1.00 5.12 H new ATOM 0 HB VAL A 55 -3.525 -0.303 -4.853 1.00 54.33 H new ATOM 0 HG11 VAL A 55 -2.648 1.738 -5.913 1.00 11.34 H new ATOM 0 HG12 VAL A 55 -2.480 1.789 -4.142 1.00 11.34 H new ATOM 0 HG13 VAL A 55 -1.063 1.443 -5.161 1.00 11.34 H new ATOM 0 HG21 VAL A 55 -2.559 -0.418 -7.114 1.00 61.13 H new ATOM 0 HG22 VAL A 55 -0.970 -0.803 -6.412 1.00 61.13 H new ATOM 0 HG23 VAL A 55 -2.327 -1.938 -6.219 1.00 61.13 H new ATOM 841 N LEU A 56 -1.788 0.876 -2.056 1.00 31.02 N ATOM 842 CA LEU A 56 -2.259 1.527 -0.838 1.00 24.31 C ATOM 843 C LEU A 56 -2.336 3.039 -1.024 1.00 31.20 C ATOM 844 O LEU A 56 -1.508 3.633 -1.718 1.00 34.51 O ATOM 845 CB LEU A 56 -1.333 1.192 0.334 1.00 42.24 C ATOM 846 CG LEU A 56 -1.758 0.013 1.209 1.00 65.53 C ATOM 847 CD1 LEU A 56 -0.574 -0.902 1.483 1.00 51.35 C ATOM 848 CD2 LEU A 56 -2.366 0.508 2.513 1.00 44.13 C ATOM 0 H LEU A 56 -1.026 1.363 -2.528 1.00 31.02 H new ATOM 0 HA LEU A 56 -3.260 1.155 -0.620 1.00 24.31 H new ATOM 0 HB2 LEU A 56 -0.339 0.985 -0.062 1.00 42.24 H new ATOM 0 HB3 LEU A 56 -1.246 2.075 0.967 1.00 42.24 H new ATOM 0 HG LEU A 56 -2.516 -0.558 0.673 1.00 65.53 H new ATOM 0 HD11 LEU A 56 -0.895 -1.736 2.107 1.00 51.35 H new ATOM 0 HD12 LEU A 56 -0.184 -1.284 0.540 1.00 51.35 H new ATOM 0 HD13 LEU A 56 0.207 -0.342 1.998 1.00 51.35 H new ATOM 0 HD21 LEU A 56 -2.663 -0.345 3.123 1.00 44.13 H new ATOM 0 HD22 LEU A 56 -1.631 1.103 3.055 1.00 44.13 H new ATOM 0 HD23 LEU A 56 -3.241 1.121 2.297 1.00 44.13 H new ATOM 860 N LEU A 57 -3.332 3.657 -0.399 1.00 71.14 N ATOM 861 CA LEU A 57 -3.516 5.100 -0.493 1.00 41.34 C ATOM 862 C LEU A 57 -3.196 5.778 0.835 1.00 44.32 C ATOM 863 O LEU A 57 -3.339 5.179 1.900 1.00 73.44 O ATOM 864 CB LEU A 57 -4.951 5.425 -0.912 1.00 53.22 C ATOM 865 CG LEU A 57 -5.353 6.899 -0.843 1.00 0.42 C ATOM 866 CD1 LEU A 57 -4.547 7.720 -1.837 1.00 51.22 C ATOM 867 CD2 LEU A 57 -6.844 7.057 -1.103 1.00 13.30 C ATOM 0 H LEU A 57 -4.025 3.181 0.179 1.00 71.14 H new ATOM 0 HA LEU A 57 -2.828 5.480 -1.248 1.00 41.34 H new ATOM 0 HB2 LEU A 57 -5.097 5.077 -1.934 1.00 53.22 H new ATOM 0 HB3 LEU A 57 -5.631 4.854 -0.280 1.00 53.22 H new ATOM 0 HG LEU A 57 -5.138 7.268 0.160 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -4.847 8.766 -1.773 1.00 51.22 H new ATOM 0 HD12 LEU A 57 -3.486 7.632 -1.605 1.00 51.22 H new ATOM 0 HD13 LEU A 57 -4.730 7.351 -2.846 1.00 51.22 H new ATOM 0 HD21 LEU A 57 -7.113 8.112 -1.050 1.00 13.30 H new ATOM 0 HD22 LEU A 57 -7.084 6.671 -2.094 1.00 13.30 H new ATOM 0 HD23 LEU A 57 -7.405 6.502 -0.352 1.00 13.30 H new ATOM 879 N ALA A 58 -2.763 7.033 0.763 1.00 32.01 N ATOM 880 CA ALA A 58 -2.427 7.794 1.960 1.00 14.40 C ATOM 881 C ALA A 58 -3.564 8.733 2.351 1.00 33.44 C ATOM 882 O ALA A 58 -4.433 9.064 1.545 1.00 71.10 O ATOM 883 CB ALA A 58 -1.143 8.580 1.743 1.00 53.22 C ATOM 0 H ALA A 58 -2.637 7.543 -0.111 1.00 32.01 H new ATOM 0 HA ALA A 58 -2.275 7.089 2.777 1.00 14.40 H new ATOM 0 HB1 ALA A 58 -0.904 9.143 2.645 1.00 53.22 H new ATOM 0 HB2 ALA A 58 -0.328 7.891 1.519 1.00 53.22 H new ATOM 0 HB3 ALA A 58 -1.275 9.269 0.909 1.00 53.22 H new ATOM 889 N PRO A 59 -3.560 9.172 3.619 1.00 73.40 N ATOM 890 CA PRO A 59 -4.585 10.078 4.145 1.00 13.33 C ATOM 891 C PRO A 59 -4.477 11.481 3.556 1.00 23.43 C ATOM 892 O PRO A 59 -3.572 11.766 2.773 1.00 24.43 O ATOM 893 CB PRO A 59 -4.295 10.106 5.648 1.00 14.14 C ATOM 894 CG PRO A 59 -2.848 9.770 5.762 1.00 71.12 C ATOM 895 CD PRO A 59 -2.555 8.818 4.635 1.00 24.01 C ATOM 0 HA PRO A 59 -5.592 9.742 3.897 1.00 13.33 H new ATOM 0 HB2 PRO A 59 -4.508 11.086 6.074 1.00 14.14 H new ATOM 0 HB3 PRO A 59 -4.912 9.385 6.184 1.00 14.14 H new ATOM 0 HG2 PRO A 59 -2.232 10.666 5.686 1.00 71.12 H new ATOM 0 HG3 PRO A 59 -2.628 9.313 6.727 1.00 71.12 H new ATOM 0 HD2 PRO A 59 -1.540 8.943 4.257 1.00 24.01 H new ATOM 0 HD3 PRO A 59 -2.652 7.779 4.951 1.00 24.01 H new ATOM 903 N GLN A 60 -5.407 12.351 3.938 1.00 43.12 N ATOM 904 CA GLN A 60 -5.414 13.723 3.445 1.00 12.35 C ATOM 905 C GLN A 60 -5.535 13.756 1.925 1.00 22.42 C ATOM 906 O GLN A 60 -4.552 13.983 1.220 1.00 31.31 O ATOM 907 CB GLN A 60 -4.143 14.452 3.884 1.00 21.20 C ATOM 908 CG GLN A 60 -4.188 15.953 3.643 1.00 34.13 C ATOM 909 CD GLN A 60 -3.870 16.753 4.890 1.00 44.20 C ATOM 910 OE1 GLN A 60 -2.917 16.450 5.610 1.00 51.31 O ATOM 911 NE2 GLN A 60 -4.665 17.784 5.152 1.00 51.21 N ATOM 0 H GLN A 60 -6.163 12.131 4.586 1.00 43.12 H new ATOM 0 HA GLN A 60 -6.280 14.230 3.870 1.00 12.35 H new ATOM 0 HB2 GLN A 60 -3.977 14.268 4.945 1.00 21.20 H new ATOM 0 HB3 GLN A 60 -3.291 14.032 3.350 1.00 21.20 H new ATOM 0 HG2 GLN A 60 -3.478 16.213 2.858 1.00 34.13 H new ATOM 0 HG3 GLN A 60 -5.178 16.230 3.281 1.00 34.13 H new ATOM 0 HE21 GLN A 60 -5.443 17.999 4.529 1.00 51.21 H new ATOM 0 HE22 GLN A 60 -4.497 18.361 5.977 1.00 51.21 H new ATOM 920 N SER A 61 -6.745 13.527 1.428 1.00 54.33 N ATOM 921 CA SER A 61 -6.994 13.526 -0.009 1.00 70.32 C ATOM 922 C SER A 61 -8.449 13.870 -0.310 1.00 34.42 C ATOM 923 O SER A 61 -9.363 13.137 0.070 1.00 3.40 O ATOM 924 CB SER A 61 -6.646 12.161 -0.607 1.00 74.25 C ATOM 925 OG SER A 61 -6.642 11.154 0.390 1.00 43.04 O ATOM 0 H SER A 61 -7.569 13.340 1.999 1.00 54.33 H new ATOM 0 HA SER A 61 -6.359 14.287 -0.463 1.00 70.32 H new ATOM 0 HB2 SER A 61 -7.367 11.906 -1.383 1.00 74.25 H new ATOM 0 HB3 SER A 61 -5.667 12.208 -1.085 1.00 74.25 H new ATOM 0 HG SER A 61 -6.418 10.291 -0.017 1.00 43.04 H new ATOM 931 N ARG A 62 -8.657 14.991 -0.994 1.00 62.55 N ATOM 932 CA ARG A 62 -10.001 15.433 -1.345 1.00 42.43 C ATOM 933 C ARG A 62 -10.423 14.872 -2.700 1.00 45.23 C ATOM 934 O ARG A 62 -11.477 14.250 -2.825 1.00 40.54 O ATOM 935 CB ARG A 62 -10.067 16.962 -1.370 1.00 60.45 C ATOM 936 CG ARG A 62 -10.751 17.563 -0.154 1.00 65.01 C ATOM 937 CD ARG A 62 -12.226 17.823 -0.416 1.00 3.44 C ATOM 938 NE ARG A 62 -13.069 16.735 0.071 1.00 0.20 N ATOM 939 CZ ARG A 62 -14.392 16.813 0.158 1.00 32.11 C ATOM 940 NH1 ARG A 62 -15.019 17.922 -0.207 1.00 32.43 N ATOM 941 NH2 ARG A 62 -15.090 15.779 0.611 1.00 12.03 N ATOM 0 H ARG A 62 -7.912 15.609 -1.316 1.00 62.55 H new ATOM 0 HA ARG A 62 -10.689 15.058 -0.587 1.00 42.43 H new ATOM 0 HB2 ARG A 62 -9.055 17.360 -1.440 1.00 60.45 H new ATOM 0 HB3 ARG A 62 -10.597 17.279 -2.268 1.00 60.45 H new ATOM 0 HG2 ARG A 62 -10.645 16.888 0.695 1.00 65.01 H new ATOM 0 HG3 ARG A 62 -10.258 18.497 0.117 1.00 65.01 H new ATOM 0 HD2 ARG A 62 -12.521 18.754 0.067 1.00 3.44 H new ATOM 0 HD3 ARG A 62 -12.386 17.954 -1.486 1.00 3.44 H new ATOM 0 HE ARG A 62 -12.617 15.867 0.360 1.00 0.20 H new ATOM 0 HH11 ARG A 62 -14.485 18.718 -0.556 1.00 32.43 H new ATOM 0 HH12 ARG A 62 -16.035 17.979 -0.139 1.00 32.43 H new ATOM 0 HH21 ARG A 62 -14.610 14.924 0.893 1.00 12.03 H new ATOM 0 HH22 ARG A 62 -16.106 15.839 0.678 1.00 12.03 H new ATOM 955 N PHE A 63 -9.590 15.097 -3.712 1.00 33.25 N ATOM 956 CA PHE A 63 -9.877 14.615 -5.058 1.00 61.15 C ATOM 957 C PHE A 63 -9.157 13.297 -5.329 1.00 12.22 C ATOM 958 O PHE A 63 -9.701 12.402 -5.974 1.00 53.44 O ATOM 959 CB PHE A 63 -9.459 15.659 -6.096 1.00 23.20 C ATOM 960 CG PHE A 63 -10.564 16.604 -6.474 1.00 2.42 C ATOM 961 CD1 PHE A 63 -10.916 17.649 -5.636 1.00 4.43 C ATOM 962 CD2 PHE A 63 -11.251 16.446 -7.666 1.00 60.00 C ATOM 963 CE1 PHE A 63 -11.932 18.521 -5.981 1.00 10.24 C ATOM 964 CE2 PHE A 63 -12.267 17.315 -8.016 1.00 70.34 C ATOM 965 CZ PHE A 63 -12.609 18.353 -7.172 1.00 22.23 C ATOM 0 H PHE A 63 -8.712 15.609 -3.625 1.00 33.25 H new ATOM 0 HA PHE A 63 -10.951 14.445 -5.135 1.00 61.15 H new ATOM 0 HB2 PHE A 63 -8.619 16.233 -5.705 1.00 23.20 H new ATOM 0 HB3 PHE A 63 -9.106 15.148 -6.992 1.00 23.20 H new ATOM 0 HD1 PHE A 63 -10.391 17.784 -4.702 1.00 4.43 H new ATOM 0 HD2 PHE A 63 -10.990 15.635 -8.329 1.00 60.00 H new ATOM 0 HE1 PHE A 63 -12.196 19.333 -5.319 1.00 10.24 H new ATOM 0 HE2 PHE A 63 -12.793 17.182 -8.950 1.00 70.34 H new ATOM 0 HZ PHE A 63 -13.404 19.032 -7.443 1.00 22.23 H new ATOM 975 N ASN A 64 -7.931 13.186 -4.829 1.00 63.12 N ATOM 976 CA ASN A 64 -7.136 11.978 -5.018 1.00 22.32 C ATOM 977 C ASN A 64 -7.911 10.741 -4.571 1.00 3.41 C ATOM 978 O ASN A 64 -7.875 9.702 -5.229 1.00 31.31 O ATOM 979 CB ASN A 64 -5.823 12.079 -4.238 1.00 11.10 C ATOM 980 CG ASN A 64 -4.909 13.160 -4.784 1.00 64.45 C ATOM 981 OD1 ASN A 64 -5.362 14.103 -5.432 1.00 12.43 O ATOM 982 ND2 ASN A 64 -3.613 13.024 -4.526 1.00 0.31 N ATOM 0 H ASN A 64 -7.467 13.917 -4.290 1.00 63.12 H new ATOM 0 HA ASN A 64 -6.914 11.882 -6.081 1.00 22.32 H new ATOM 0 HB2 ASN A 64 -6.041 12.286 -3.190 1.00 11.10 H new ATOM 0 HB3 ASN A 64 -5.308 11.119 -4.273 1.00 11.10 H new ATOM 0 HD21 ASN A 64 -2.949 13.718 -4.869 1.00 0.31 H new ATOM 0 HD22 ASN A 64 -3.282 12.226 -3.984 1.00 0.31 H new ATOM 989 N LYS A 65 -8.610 10.862 -3.447 1.00 51.35 N ATOM 990 CA LYS A 65 -9.396 9.757 -2.913 1.00 20.40 C ATOM 991 C LYS A 65 -10.435 9.287 -3.926 1.00 30.43 C ATOM 992 O LYS A 65 -10.458 8.118 -4.312 1.00 22.11 O ATOM 993 CB LYS A 65 -10.087 10.177 -1.613 1.00 52.32 C ATOM 994 CG LYS A 65 -11.095 9.161 -1.105 1.00 51.33 C ATOM 995 CD LYS A 65 -11.321 9.300 0.392 1.00 45.35 C ATOM 996 CE LYS A 65 -12.372 10.354 0.701 1.00 53.21 C ATOM 997 NZ LYS A 65 -13.359 9.875 1.708 1.00 45.34 N ATOM 0 H LYS A 65 -8.648 11.715 -2.889 1.00 51.35 H new ATOM 0 HA LYS A 65 -8.718 8.929 -2.706 1.00 20.40 H new ATOM 0 HB2 LYS A 65 -9.330 10.341 -0.846 1.00 52.32 H new ATOM 0 HB3 LYS A 65 -10.592 11.130 -1.771 1.00 52.32 H new ATOM 0 HG2 LYS A 65 -12.041 9.292 -1.630 1.00 51.33 H new ATOM 0 HG3 LYS A 65 -10.743 8.154 -1.329 1.00 51.33 H new ATOM 0 HD2 LYS A 65 -11.634 8.341 0.804 1.00 45.35 H new ATOM 0 HD3 LYS A 65 -10.383 9.566 0.880 1.00 45.35 H new ATOM 0 HE2 LYS A 65 -11.884 11.256 1.071 1.00 53.21 H new ATOM 0 HE3 LYS A 65 -12.893 10.627 -0.217 1.00 53.21 H new ATOM 0 HZ1 LYS A 65 -14.059 10.622 1.891 1.00 45.34 H new ATOM 0 HZ2 LYS A 65 -13.843 9.029 1.345 1.00 45.34 H new ATOM 0 HZ3 LYS A 65 -12.866 9.638 2.592 1.00 45.34 H new ATOM 1011 N LYS A 66 -11.294 10.206 -4.354 1.00 21.33 N ATOM 1012 CA LYS A 66 -12.335 9.887 -5.324 1.00 50.12 C ATOM 1013 C LYS A 66 -11.732 9.295 -6.594 1.00 23.43 C ATOM 1014 O LYS A 66 -12.308 8.394 -7.204 1.00 32.33 O ATOM 1015 CB LYS A 66 -13.141 11.142 -5.667 1.00 74.32 C ATOM 1016 CG LYS A 66 -14.227 10.903 -6.702 1.00 35.14 C ATOM 1017 CD LYS A 66 -14.841 12.209 -7.180 1.00 24.33 C ATOM 1018 CE LYS A 66 -16.338 12.249 -6.918 1.00 53.24 C ATOM 1019 NZ LYS A 66 -16.913 13.594 -7.195 1.00 75.13 N ATOM 0 H LYS A 66 -11.290 11.178 -4.044 1.00 21.33 H new ATOM 0 HA LYS A 66 -12.998 9.146 -4.878 1.00 50.12 H new ATOM 0 HB2 LYS A 66 -13.597 11.531 -4.757 1.00 74.32 H new ATOM 0 HB3 LYS A 66 -12.462 11.910 -6.036 1.00 74.32 H new ATOM 0 HG2 LYS A 66 -13.808 10.364 -7.552 1.00 35.14 H new ATOM 0 HG3 LYS A 66 -15.004 10.269 -6.275 1.00 35.14 H new ATOM 0 HD2 LYS A 66 -14.359 13.046 -6.674 1.00 24.33 H new ATOM 0 HD3 LYS A 66 -14.654 12.331 -8.247 1.00 24.33 H new ATOM 0 HE2 LYS A 66 -16.836 11.506 -7.541 1.00 53.24 H new ATOM 0 HE3 LYS A 66 -16.533 11.977 -5.880 1.00 53.24 H new ATOM 0 HZ1 LYS A 66 -17.935 13.580 -7.004 1.00 75.13 H new ATOM 0 HZ2 LYS A 66 -16.456 14.300 -6.583 1.00 75.13 H new ATOM 0 HZ3 LYS A 66 -16.750 13.843 -8.192 1.00 75.13 H new ATOM 1033 N ARG A 67 -10.569 9.806 -6.986 1.00 35.23 N ATOM 1034 CA ARG A 67 -9.888 9.326 -8.182 1.00 13.50 C ATOM 1035 C ARG A 67 -9.415 7.888 -7.998 1.00 61.25 C ATOM 1036 O ARG A 67 -9.788 6.997 -8.764 1.00 31.32 O ATOM 1037 CB ARG A 67 -8.699 10.228 -8.514 1.00 43.42 C ATOM 1038 CG ARG A 67 -9.084 11.498 -9.255 1.00 62.41 C ATOM 1039 CD ARG A 67 -8.153 11.763 -10.428 1.00 22.32 C ATOM 1040 NE ARG A 67 -8.854 12.362 -11.559 1.00 73.33 N ATOM 1041 CZ ARG A 67 -9.218 13.639 -11.607 1.00 65.11 C ATOM 1042 NH1 ARG A 67 -8.947 14.447 -10.591 1.00 61.21 N ATOM 1043 NH2 ARG A 67 -9.853 14.110 -12.672 1.00 73.42 N ATOM 0 H ARG A 67 -10.079 10.552 -6.493 1.00 35.23 H new ATOM 0 HA ARG A 67 -10.597 9.353 -9.009 1.00 13.50 H new ATOM 0 HB2 ARG A 67 -8.190 10.498 -7.589 1.00 43.42 H new ATOM 0 HB3 ARG A 67 -7.986 9.667 -9.118 1.00 43.42 H new ATOM 0 HG2 ARG A 67 -10.109 11.414 -9.615 1.00 62.41 H new ATOM 0 HG3 ARG A 67 -9.056 12.344 -8.568 1.00 62.41 H new ATOM 0 HD2 ARG A 67 -7.348 12.425 -10.109 1.00 22.32 H new ATOM 0 HD3 ARG A 67 -7.691 10.827 -10.742 1.00 22.32 H new ATOM 0 HE ARG A 67 -9.077 11.767 -12.357 1.00 73.33 H new ATOM 0 HH11 ARG A 67 -8.458 14.089 -9.771 1.00 61.21 H new ATOM 0 HH12 ARG A 67 -9.227 15.427 -10.630 1.00 61.21 H new ATOM 0 HH21 ARG A 67 -10.063 13.492 -13.456 1.00 73.42 H new ATOM 0 HH22 ARG A 67 -10.132 15.091 -12.707 1.00 73.42 H new ATOM 1057 N LEU A 68 -8.590 7.667 -6.982 1.00 0.53 N ATOM 1058 CA LEU A 68 -8.063 6.337 -6.697 1.00 33.03 C ATOM 1059 C LEU A 68 -9.190 5.311 -6.615 1.00 13.31 C ATOM 1060 O LEU A 68 -9.059 4.191 -7.105 1.00 23.23 O ATOM 1061 CB LEU A 68 -7.273 6.348 -5.388 1.00 24.11 C ATOM 1062 CG LEU A 68 -5.758 6.516 -5.520 1.00 71.13 C ATOM 1063 CD1 LEU A 68 -5.167 5.390 -6.354 1.00 32.13 C ATOM 1064 CD2 LEU A 68 -5.423 7.868 -6.132 1.00 65.31 C ATOM 0 H LEU A 68 -8.271 8.393 -6.340 1.00 0.53 H new ATOM 0 HA LEU A 68 -7.397 6.055 -7.513 1.00 33.03 H new ATOM 0 HB2 LEU A 68 -7.655 7.155 -4.763 1.00 24.11 H new ATOM 0 HB3 LEU A 68 -7.470 5.415 -4.860 1.00 24.11 H new ATOM 0 HG LEU A 68 -5.318 6.472 -4.524 1.00 71.13 H new ATOM 0 HD11 LEU A 68 -4.089 5.526 -6.437 1.00 32.13 H new ATOM 0 HD12 LEU A 68 -5.376 4.434 -5.875 1.00 32.13 H new ATOM 0 HD13 LEU A 68 -5.612 5.402 -7.349 1.00 32.13 H new ATOM 0 HD21 LEU A 68 -4.341 7.970 -6.218 1.00 65.31 H new ATOM 0 HD22 LEU A 68 -5.875 7.942 -7.121 1.00 65.31 H new ATOM 0 HD23 LEU A 68 -5.813 8.662 -5.495 1.00 65.31 H new ATOM 1076 N GLU A 69 -10.297 5.706 -5.993 1.00 74.52 N ATOM 1077 CA GLU A 69 -11.448 4.821 -5.849 1.00 42.12 C ATOM 1078 C GLU A 69 -12.162 4.635 -7.184 1.00 41.23 C ATOM 1079 O GLU A 69 -12.549 3.523 -7.543 1.00 4.55 O ATOM 1080 CB GLU A 69 -12.422 5.380 -4.810 1.00 53.43 C ATOM 1081 CG GLU A 69 -11.783 5.649 -3.458 1.00 24.43 C ATOM 1082 CD GLU A 69 -12.402 4.825 -2.346 1.00 14.20 C ATOM 1083 OE1 GLU A 69 -12.838 3.687 -2.621 1.00 63.13 O ATOM 1084 OE2 GLU A 69 -12.452 5.319 -1.200 1.00 30.34 O ATOM 0 H GLU A 69 -10.421 6.631 -5.582 1.00 74.52 H new ATOM 0 HA GLU A 69 -11.087 3.849 -5.512 1.00 42.12 H new ATOM 0 HB2 GLU A 69 -12.852 6.307 -5.190 1.00 53.43 H new ATOM 0 HB3 GLU A 69 -13.244 4.676 -4.680 1.00 53.43 H new ATOM 0 HG2 GLU A 69 -10.716 5.432 -3.515 1.00 24.43 H new ATOM 0 HG3 GLU A 69 -11.881 6.708 -3.218 1.00 24.43 H new ATOM 1091 N GLU A 70 -12.335 5.733 -7.914 1.00 62.55 N ATOM 1092 CA GLU A 70 -13.004 5.690 -9.209 1.00 43.35 C ATOM 1093 C GLU A 70 -12.171 4.917 -10.228 1.00 30.11 C ATOM 1094 O GLU A 70 -12.685 4.464 -11.250 1.00 74.35 O ATOM 1095 CB GLU A 70 -13.265 7.108 -9.719 1.00 51.45 C ATOM 1096 CG GLU A 70 -14.466 7.777 -9.072 1.00 31.31 C ATOM 1097 CD GLU A 70 -15.779 7.363 -9.710 1.00 43.12 C ATOM 1098 OE1 GLU A 70 -16.116 7.912 -10.780 1.00 33.11 O ATOM 1099 OE2 GLU A 70 -16.467 6.492 -9.141 1.00 33.54 O ATOM 0 H GLU A 70 -12.022 6.662 -7.631 1.00 62.55 H new ATOM 0 HA GLU A 70 -13.956 5.176 -9.080 1.00 43.35 H new ATOM 0 HB2 GLU A 70 -12.380 7.718 -9.540 1.00 51.45 H new ATOM 0 HB3 GLU A 70 -13.416 7.075 -10.798 1.00 51.45 H new ATOM 0 HG2 GLU A 70 -14.488 7.528 -8.011 1.00 31.31 H new ATOM 0 HG3 GLU A 70 -14.357 8.859 -9.144 1.00 31.31 H new ATOM 1106 N ILE A 71 -10.882 4.772 -9.941 1.00 2.03 N ATOM 1107 CA ILE A 71 -9.977 4.053 -10.830 1.00 53.35 C ATOM 1108 C ILE A 71 -9.812 2.602 -10.392 1.00 14.13 C ATOM 1109 O ILE A 71 -9.785 1.691 -11.220 1.00 62.33 O ATOM 1110 CB ILE A 71 -8.591 4.722 -10.883 1.00 41.12 C ATOM 1111 CG1 ILE A 71 -8.715 6.164 -11.379 1.00 41.42 C ATOM 1112 CG2 ILE A 71 -7.653 3.927 -11.779 1.00 13.11 C ATOM 1113 CD1 ILE A 71 -7.591 7.063 -10.914 1.00 24.23 C ATOM 0 H ILE A 71 -10.440 5.143 -9.100 1.00 2.03 H new ATOM 0 HA ILE A 71 -10.424 4.081 -11.824 1.00 53.35 H new ATOM 0 HB ILE A 71 -8.173 4.739 -9.876 1.00 41.12 H new ATOM 0 HG12 ILE A 71 -8.742 6.164 -12.469 1.00 41.42 H new ATOM 0 HG13 ILE A 71 -9.664 6.577 -11.037 1.00 41.42 H new ATOM 0 HG21 ILE A 71 -6.677 4.412 -11.806 1.00 13.11 H new ATOM 0 HG22 ILE A 71 -7.544 2.916 -11.386 1.00 13.11 H new ATOM 0 HG23 ILE A 71 -8.064 3.882 -12.787 1.00 13.11 H new ATOM 0 HD11 ILE A 71 -7.745 8.069 -11.304 1.00 24.23 H new ATOM 0 HD12 ILE A 71 -7.577 7.094 -9.825 1.00 24.23 H new ATOM 0 HD13 ILE A 71 -6.640 6.675 -11.278 1.00 24.23 H new ATOM 1125 N THR A 72 -9.706 2.393 -9.083 1.00 42.13 N ATOM 1126 CA THR A 72 -9.545 1.053 -8.534 1.00 72.23 C ATOM 1127 C THR A 72 -10.807 0.221 -8.736 1.00 11.00 C ATOM 1128 O THR A 72 -10.736 -0.983 -8.981 1.00 50.12 O ATOM 1129 CB THR A 72 -9.209 1.098 -7.032 1.00 42.31 C ATOM 1130 OG1 THR A 72 -10.135 1.948 -6.347 1.00 52.44 O ATOM 1131 CG2 THR A 72 -7.791 1.603 -6.810 1.00 23.32 C ATOM 0 H THR A 72 -9.729 3.135 -8.384 1.00 42.13 H new ATOM 0 HA THR A 72 -8.717 0.589 -9.070 1.00 72.23 H new ATOM 0 HB THR A 72 -9.285 0.085 -6.636 1.00 42.31 H new ATOM 0 HG1 THR A 72 -9.746 2.842 -6.247 1.00 52.44 H new ATOM 0 HG21 THR A 72 -7.576 1.626 -5.742 1.00 23.32 H new ATOM 0 HG22 THR A 72 -7.086 0.937 -7.308 1.00 23.32 H new ATOM 0 HG23 THR A 72 -7.694 2.608 -7.222 1.00 23.32 H new ATOM 1139 N LYS A 73 -11.961 0.871 -8.631 1.00 33.14 N ATOM 1140 CA LYS A 73 -13.240 0.192 -8.804 1.00 34.25 C ATOM 1141 C LYS A 73 -13.266 -0.595 -10.110 1.00 55.14 C ATOM 1142 O LYS A 73 -13.416 -1.817 -10.124 1.00 52.41 O ATOM 1143 CB LYS A 73 -14.386 1.206 -8.784 1.00 13.15 C ATOM 1144 CG LYS A 73 -15.300 1.067 -7.578 1.00 64.43 C ATOM 1145 CD LYS A 73 -16.212 -0.142 -7.707 1.00 54.54 C ATOM 1146 CE LYS A 73 -17.497 0.208 -8.444 1.00 63.53 C ATOM 1147 NZ LYS A 73 -18.031 -0.955 -9.207 1.00 31.12 N ATOM 0 H LYS A 73 -12.037 1.867 -8.427 1.00 33.14 H new ATOM 0 HA LYS A 73 -13.367 -0.507 -7.977 1.00 34.25 H new ATOM 0 HB2 LYS A 73 -13.969 2.213 -8.799 1.00 13.15 H new ATOM 0 HB3 LYS A 73 -14.977 1.092 -9.693 1.00 13.15 H new ATOM 0 HG2 LYS A 73 -14.699 0.976 -6.673 1.00 64.43 H new ATOM 0 HG3 LYS A 73 -15.903 1.969 -7.471 1.00 64.43 H new ATOM 0 HD2 LYS A 73 -15.691 -0.938 -8.239 1.00 54.54 H new ATOM 0 HD3 LYS A 73 -16.452 -0.526 -6.716 1.00 54.54 H new ATOM 0 HE2 LYS A 73 -18.246 0.548 -7.728 1.00 63.53 H new ATOM 0 HE3 LYS A 73 -17.310 1.036 -9.127 1.00 63.53 H new ATOM 0 HZ1 LYS A 73 -18.906 -0.677 -9.695 1.00 31.12 H new ATOM 0 HZ2 LYS A 73 -17.327 -1.264 -9.907 1.00 31.12 H new ATOM 0 HZ3 LYS A 73 -18.233 -1.737 -8.552 1.00 31.12 H new ATOM 1161 N PRO A 74 -13.116 0.120 -11.235 1.00 62.55 N ATOM 1162 CA PRO A 74 -13.117 -0.491 -12.568 1.00 32.34 C ATOM 1163 C PRO A 74 -11.872 -1.334 -12.820 1.00 1.22 C ATOM 1164 O PRO A 74 -11.937 -2.381 -13.464 1.00 31.52 O ATOM 1165 CB PRO A 74 -13.148 0.714 -13.511 1.00 34.44 C ATOM 1166 CG PRO A 74 -12.544 1.825 -12.725 1.00 24.14 C ATOM 1167 CD PRO A 74 -12.933 1.580 -11.293 1.00 42.41 C ATOM 0 HA PRO A 74 -13.955 -1.175 -12.702 1.00 32.34 H new ATOM 0 HB2 PRO A 74 -12.581 0.519 -14.421 1.00 34.44 H new ATOM 0 HB3 PRO A 74 -14.167 0.953 -13.815 1.00 34.44 H new ATOM 0 HG2 PRO A 74 -11.460 1.838 -12.838 1.00 24.14 H new ATOM 0 HG3 PRO A 74 -12.912 2.791 -13.069 1.00 24.14 H new ATOM 0 HD2 PRO A 74 -12.159 1.916 -10.603 1.00 42.41 H new ATOM 0 HD3 PRO A 74 -13.848 2.111 -11.028 1.00 42.41 H new ATOM 1175 N LYS A 75 -10.736 -0.871 -12.308 1.00 34.13 N ATOM 1176 CA LYS A 75 -9.474 -1.582 -12.476 1.00 32.45 C ATOM 1177 C LYS A 75 -9.514 -2.934 -11.771 1.00 2.54 C ATOM 1178 O LYS A 75 -8.789 -3.858 -12.138 1.00 75.22 O ATOM 1179 CB LYS A 75 -8.317 -0.744 -11.930 1.00 44.10 C ATOM 1180 CG LYS A 75 -7.846 0.340 -12.886 1.00 73.23 C ATOM 1181 CD LYS A 75 -7.032 -0.242 -14.030 1.00 11.33 C ATOM 1182 CE LYS A 75 -6.880 0.756 -15.169 1.00 20.23 C ATOM 1183 NZ LYS A 75 -8.019 0.683 -16.124 1.00 75.35 N ATOM 0 H LYS A 75 -10.664 -0.006 -11.773 1.00 34.13 H new ATOM 0 HA LYS A 75 -9.320 -1.752 -13.542 1.00 32.45 H new ATOM 0 HB2 LYS A 75 -8.626 -0.281 -10.993 1.00 44.10 H new ATOM 0 HB3 LYS A 75 -7.480 -1.403 -11.700 1.00 44.10 H new ATOM 0 HG2 LYS A 75 -8.708 0.874 -13.286 1.00 73.23 H new ATOM 0 HG3 LYS A 75 -7.244 1.069 -12.343 1.00 73.23 H new ATOM 0 HD2 LYS A 75 -6.047 -0.533 -13.666 1.00 11.33 H new ATOM 0 HD3 LYS A 75 -7.516 -1.146 -14.399 1.00 11.33 H new ATOM 0 HE2 LYS A 75 -6.811 1.765 -14.762 1.00 20.23 H new ATOM 0 HE3 LYS A 75 -5.948 0.563 -15.700 1.00 20.23 H new ATOM 0 HZ1 LYS A 75 -7.879 1.378 -16.885 1.00 75.35 H new ATOM 0 HZ2 LYS A 75 -8.069 -0.272 -16.532 1.00 75.35 H new ATOM 0 HZ3 LYS A 75 -8.906 0.893 -15.623 1.00 75.35 H new ATOM 1197 N GLY A 76 -10.366 -3.042 -10.755 1.00 44.40 N ATOM 1198 CA GLY A 76 -10.485 -4.285 -10.015 1.00 65.34 C ATOM 1199 C GLY A 76 -9.161 -4.741 -9.432 1.00 73.34 C ATOM 1200 O GLY A 76 -8.687 -5.836 -9.735 1.00 21.32 O ATOM 0 H GLY A 76 -10.976 -2.291 -10.432 1.00 44.40 H new ATOM 0 HA2 GLY A 76 -11.208 -4.157 -9.210 1.00 65.34 H new ATOM 0 HA3 GLY A 76 -10.875 -5.061 -10.674 1.00 65.34 H new ATOM 1204 N ILE A 77 -8.565 -3.899 -8.595 1.00 32.40 N ATOM 1205 CA ILE A 77 -7.289 -4.222 -7.968 1.00 51.41 C ATOM 1206 C ILE A 77 -7.361 -4.051 -6.454 1.00 40.05 C ATOM 1207 O ILE A 77 -8.165 -3.281 -5.929 1.00 53.33 O ATOM 1208 CB ILE A 77 -6.153 -3.341 -8.520 1.00 65.00 C ATOM 1209 CG1 ILE A 77 -6.541 -1.863 -8.444 1.00 5.30 C ATOM 1210 CG2 ILE A 77 -5.824 -3.736 -9.953 1.00 13.23 C ATOM 1211 CD1 ILE A 77 -5.581 -1.028 -7.625 1.00 30.42 C ATOM 0 H ILE A 77 -8.945 -2.989 -8.335 1.00 32.40 H new ATOM 0 HA ILE A 77 -7.076 -5.265 -8.203 1.00 51.41 H new ATOM 0 HB ILE A 77 -5.264 -3.495 -7.909 1.00 65.00 H new ATOM 0 HG12 ILE A 77 -6.593 -1.457 -9.454 1.00 5.30 H new ATOM 0 HG13 ILE A 77 -7.540 -1.779 -8.015 1.00 5.30 H new ATOM 0 HG21 ILE A 77 -5.019 -3.104 -10.329 1.00 13.23 H new ATOM 0 HG22 ILE A 77 -5.509 -4.779 -9.980 1.00 13.23 H new ATOM 0 HG23 ILE A 77 -6.708 -3.608 -10.578 1.00 13.23 H new ATOM 0 HD11 ILE A 77 -5.918 0.009 -7.614 1.00 30.42 H new ATOM 0 HD12 ILE A 77 -5.547 -1.409 -6.604 1.00 30.42 H new ATOM 0 HD13 ILE A 77 -4.585 -1.081 -8.065 1.00 30.42 H new ATOM 1223 N PRO A 78 -6.499 -4.783 -5.735 1.00 65.34 N ATOM 1224 CA PRO A 78 -6.442 -4.728 -4.272 1.00 22.34 C ATOM 1225 C PRO A 78 -5.891 -3.401 -3.761 1.00 63.24 C ATOM 1226 O PRO A 78 -4.683 -3.165 -3.797 1.00 70.53 O ATOM 1227 CB PRO A 78 -5.494 -5.875 -3.910 1.00 15.45 C ATOM 1228 CG PRO A 78 -4.639 -6.055 -5.115 1.00 71.21 C ATOM 1229 CD PRO A 78 -5.511 -5.722 -6.295 1.00 73.20 C ATOM 0 HA PRO A 78 -7.431 -4.816 -3.823 1.00 22.34 H new ATOM 0 HB2 PRO A 78 -4.895 -5.631 -3.033 1.00 15.45 H new ATOM 0 HB3 PRO A 78 -6.046 -6.786 -3.677 1.00 15.45 H new ATOM 0 HG2 PRO A 78 -3.768 -5.401 -5.077 1.00 71.21 H new ATOM 0 HG3 PRO A 78 -4.267 -7.078 -5.181 1.00 71.21 H new ATOM 0 HD2 PRO A 78 -4.938 -5.267 -7.103 1.00 73.20 H new ATOM 0 HD3 PRO A 78 -5.989 -6.612 -6.705 1.00 73.20 H new ATOM 1237 N ILE A 79 -6.783 -2.538 -3.288 1.00 33.41 N ATOM 1238 CA ILE A 79 -6.386 -1.235 -2.770 1.00 5.23 C ATOM 1239 C ILE A 79 -6.769 -1.086 -1.302 1.00 14.00 C ATOM 1240 O ILE A 79 -7.895 -1.393 -0.911 1.00 52.32 O ATOM 1241 CB ILE A 79 -7.025 -0.089 -3.576 1.00 34.53 C ATOM 1242 CG1 ILE A 79 -6.474 1.260 -3.111 1.00 45.35 C ATOM 1243 CG2 ILE A 79 -8.540 -0.125 -3.436 1.00 31.04 C ATOM 1244 CD1 ILE A 79 -5.073 1.544 -3.607 1.00 41.32 C ATOM 0 H ILE A 79 -7.786 -2.718 -3.253 1.00 33.41 H new ATOM 0 HA ILE A 79 -5.302 -1.175 -2.867 1.00 5.23 H new ATOM 0 HB ILE A 79 -6.773 -0.220 -4.628 1.00 34.53 H new ATOM 0 HG12 ILE A 79 -7.139 2.053 -3.453 1.00 45.35 H new ATOM 0 HG13 ILE A 79 -6.478 1.289 -2.021 1.00 45.35 H new ATOM 0 HG21 ILE A 79 -8.978 0.691 -4.011 1.00 31.04 H new ATOM 0 HG22 ILE A 79 -8.917 -1.076 -3.811 1.00 31.04 H new ATOM 0 HG23 ILE A 79 -8.811 -0.015 -2.386 1.00 31.04 H new ATOM 0 HD11 ILE A 79 -4.747 2.517 -3.239 1.00 41.32 H new ATOM 0 HD12 ILE A 79 -4.395 0.772 -3.243 1.00 41.32 H new ATOM 0 HD13 ILE A 79 -5.067 1.548 -4.697 1.00 41.32 H new ATOM 1256 N GLU A 80 -5.827 -0.611 -0.494 1.00 75.12 N ATOM 1257 CA GLU A 80 -6.068 -0.421 0.931 1.00 13.53 C ATOM 1258 C GLU A 80 -5.794 1.023 1.341 1.00 11.14 C ATOM 1259 O GLU A 80 -4.704 1.548 1.111 1.00 21.14 O ATOM 1260 CB GLU A 80 -5.193 -1.371 1.751 1.00 21.50 C ATOM 1261 CG GLU A 80 -5.739 -2.786 1.829 1.00 20.52 C ATOM 1262 CD GLU A 80 -7.136 -2.842 2.418 1.00 24.21 C ATOM 1263 OE1 GLU A 80 -7.262 -2.754 3.657 1.00 1.45 O ATOM 1264 OE2 GLU A 80 -8.103 -2.972 1.638 1.00 25.22 O ATOM 0 H GLU A 80 -4.890 -0.351 -0.802 1.00 75.12 H new ATOM 0 HA GLU A 80 -7.116 -0.644 1.129 1.00 13.53 H new ATOM 0 HB2 GLU A 80 -4.194 -1.399 1.315 1.00 21.50 H new ATOM 0 HB3 GLU A 80 -5.089 -0.975 2.761 1.00 21.50 H new ATOM 0 HG2 GLU A 80 -5.752 -3.222 0.830 1.00 20.52 H new ATOM 0 HG3 GLU A 80 -5.069 -3.397 2.434 1.00 20.52 H new ATOM 1271 N ILE A 81 -6.789 1.659 1.950 1.00 52.44 N ATOM 1272 CA ILE A 81 -6.655 3.041 2.392 1.00 54.23 C ATOM 1273 C ILE A 81 -6.354 3.114 3.885 1.00 63.13 C ATOM 1274 O ILE A 81 -7.057 2.516 4.700 1.00 23.21 O ATOM 1275 CB ILE A 81 -7.930 3.853 2.097 1.00 34.02 C ATOM 1276 CG1 ILE A 81 -8.230 3.847 0.596 1.00 33.33 C ATOM 1277 CG2 ILE A 81 -7.780 5.279 2.606 1.00 5.24 C ATOM 1278 CD1 ILE A 81 -9.040 2.651 0.148 1.00 62.33 C ATOM 0 H ILE A 81 -7.697 1.239 2.149 1.00 52.44 H new ATOM 0 HA ILE A 81 -5.823 3.471 1.834 1.00 54.23 H new ATOM 0 HB ILE A 81 -8.767 3.388 2.618 1.00 34.02 H new ATOM 0 HG12 ILE A 81 -8.769 4.758 0.338 1.00 33.33 H new ATOM 0 HG13 ILE A 81 -7.289 3.866 0.045 1.00 33.33 H new ATOM 0 HG21 ILE A 81 -8.689 5.840 2.390 1.00 5.24 H new ATOM 0 HG22 ILE A 81 -7.609 5.265 3.682 1.00 5.24 H new ATOM 0 HG23 ILE A 81 -6.934 5.755 2.111 1.00 5.24 H new ATOM 0 HD11 ILE A 81 -9.215 2.712 -0.926 1.00 62.33 H new ATOM 0 HD12 ILE A 81 -8.493 1.736 0.375 1.00 62.33 H new ATOM 0 HD13 ILE A 81 -9.996 2.642 0.672 1.00 62.33 H new ATOM 1290 N ILE A 82 -5.306 3.851 4.236 1.00 51.54 N ATOM 1291 CA ILE A 82 -4.914 4.004 5.632 1.00 43.24 C ATOM 1292 C ILE A 82 -5.704 5.120 6.306 1.00 75.21 C ATOM 1293 O ILE A 82 -6.110 6.085 5.660 1.00 4.51 O ATOM 1294 CB ILE A 82 -3.409 4.305 5.763 1.00 12.12 C ATOM 1295 CG1 ILE A 82 -2.594 3.315 4.928 1.00 5.23 C ATOM 1296 CG2 ILE A 82 -2.984 4.251 7.223 1.00 14.40 C ATOM 1297 CD1 ILE A 82 -1.106 3.592 4.946 1.00 53.13 C ATOM 0 H ILE A 82 -4.713 4.351 3.574 1.00 51.54 H new ATOM 0 HA ILE A 82 -5.133 3.058 6.127 1.00 43.24 H new ATOM 0 HB ILE A 82 -3.220 5.310 5.386 1.00 12.12 H new ATOM 0 HG12 ILE A 82 -2.772 2.306 5.299 1.00 5.23 H new ATOM 0 HG13 ILE A 82 -2.948 3.343 3.898 1.00 5.23 H new ATOM 0 HG21 ILE A 82 -1.918 4.466 7.300 1.00 14.40 H new ATOM 0 HG22 ILE A 82 -3.545 4.991 7.793 1.00 14.40 H new ATOM 0 HG23 ILE A 82 -3.184 3.257 7.624 1.00 14.40 H new ATOM 0 HD11 ILE A 82 -0.591 2.852 4.334 1.00 53.13 H new ATOM 0 HD12 ILE A 82 -0.917 4.589 4.547 1.00 53.13 H new ATOM 0 HD13 ILE A 82 -0.738 3.535 5.970 1.00 53.13 H new ATOM 1309 N ASN A 83 -5.919 4.981 7.610 1.00 74.32 N ATOM 1310 CA ASN A 83 -6.662 5.978 8.373 1.00 1.05 C ATOM 1311 C ASN A 83 -5.741 7.100 8.842 1.00 63.11 C ATOM 1312 O ASN A 83 -4.517 6.968 8.812 1.00 63.34 O ATOM 1313 CB ASN A 83 -7.343 5.325 9.578 1.00 41.13 C ATOM 1314 CG ASN A 83 -8.743 5.861 9.810 1.00 5.24 C ATOM 1315 OD1 ASN A 83 -9.696 5.445 9.153 1.00 74.10 O ATOM 1316 ND2 ASN A 83 -8.871 6.791 10.751 1.00 62.45 N ATOM 0 H ASN A 83 -5.590 4.188 8.161 1.00 74.32 H new ATOM 0 HA ASN A 83 -7.424 6.405 7.721 1.00 1.05 H new ATOM 0 HB2 ASN A 83 -7.390 4.247 9.425 1.00 41.13 H new ATOM 0 HB3 ASN A 83 -6.739 5.495 10.470 1.00 41.13 H new ATOM 0 HD21 ASN A 83 -9.788 7.190 10.953 1.00 62.45 H new ATOM 0 HD22 ASN A 83 -8.052 7.106 11.271 1.00 62.45 H new ATOM 1323 N THR A 84 -6.337 8.205 9.277 1.00 15.35 N ATOM 1324 CA THR A 84 -5.572 9.351 9.752 1.00 70.40 C ATOM 1325 C THR A 84 -4.746 8.989 10.981 1.00 2.12 C ATOM 1326 O THR A 84 -3.582 9.376 11.094 1.00 64.52 O ATOM 1327 CB THR A 84 -6.492 10.537 10.098 1.00 42.43 C ATOM 1328 OG1 THR A 84 -7.707 10.449 9.346 1.00 11.01 O ATOM 1329 CG2 THR A 84 -5.802 11.861 9.802 1.00 21.30 C ATOM 0 H THR A 84 -7.349 8.331 9.310 1.00 15.35 H new ATOM 0 HA THR A 84 -4.905 9.643 8.941 1.00 70.40 H new ATOM 0 HB THR A 84 -6.720 10.494 11.163 1.00 42.43 H new ATOM 0 HG1 THR A 84 -8.287 11.205 9.573 1.00 11.01 H new ATOM 0 HG21 THR A 84 -6.471 12.684 10.054 1.00 21.30 H new ATOM 0 HG22 THR A 84 -4.892 11.938 10.397 1.00 21.30 H new ATOM 0 HG23 THR A 84 -5.549 11.911 8.743 1.00 21.30 H new ATOM 1337 N ILE A 85 -5.354 8.245 11.899 1.00 64.15 N ATOM 1338 CA ILE A 85 -4.672 7.829 13.118 1.00 30.43 C ATOM 1339 C ILE A 85 -3.601 6.785 12.821 1.00 3.15 C ATOM 1340 O ILE A 85 -2.440 6.948 13.198 1.00 34.50 O ATOM 1341 CB ILE A 85 -5.663 7.253 14.147 1.00 24.33 C ATOM 1342 CG1 ILE A 85 -6.733 8.290 14.493 1.00 72.35 C ATOM 1343 CG2 ILE A 85 -4.924 6.809 15.402 1.00 64.23 C ATOM 1344 CD1 ILE A 85 -8.137 7.726 14.508 1.00 0.55 C ATOM 0 H ILE A 85 -6.317 7.918 11.822 1.00 64.15 H new ATOM 0 HA ILE A 85 -4.201 8.719 13.536 1.00 30.43 H new ATOM 0 HB ILE A 85 -6.154 6.384 13.710 1.00 24.33 H new ATOM 0 HG12 ILE A 85 -6.511 8.717 15.471 1.00 72.35 H new ATOM 0 HG13 ILE A 85 -6.685 9.105 13.771 1.00 72.35 H new ATOM 0 HG21 ILE A 85 -5.637 6.404 16.120 1.00 64.23 H new ATOM 0 HG22 ILE A 85 -4.195 6.041 15.143 1.00 64.23 H new ATOM 0 HG23 ILE A 85 -4.410 7.663 15.843 1.00 64.23 H new ATOM 0 HD11 ILE A 85 -8.844 8.516 14.761 1.00 0.55 H new ATOM 0 HD12 ILE A 85 -8.378 7.324 13.524 1.00 0.55 H new ATOM 0 HD13 ILE A 85 -8.202 6.931 15.250 1.00 0.55 H new ATOM 1356 N ASP A 86 -3.998 5.715 12.142 1.00 62.41 N ATOM 1357 CA ASP A 86 -3.070 4.645 11.790 1.00 12.25 C ATOM 1358 C ASP A 86 -1.835 5.205 11.092 1.00 21.02 C ATOM 1359 O ASP A 86 -0.707 4.826 11.408 1.00 3.21 O ATOM 1360 CB ASP A 86 -3.760 3.619 10.890 1.00 52.53 C ATOM 1361 CG ASP A 86 -4.938 2.951 11.570 1.00 55.01 C ATOM 1362 OD1 ASP A 86 -4.709 2.129 12.484 1.00 41.43 O ATOM 1363 OD2 ASP A 86 -6.090 3.249 11.191 1.00 61.32 O ATOM 0 H ASP A 86 -4.955 5.565 11.824 1.00 62.41 H new ATOM 0 HA ASP A 86 -2.753 4.154 12.710 1.00 12.25 H new ATOM 0 HB2 ASP A 86 -4.101 4.111 9.979 1.00 52.53 H new ATOM 0 HB3 ASP A 86 -3.038 2.859 10.591 1.00 52.53 H new ATOM 1368 N TYR A 87 -2.056 6.106 10.142 1.00 3.42 N ATOM 1369 CA TYR A 87 -0.960 6.715 9.397 1.00 24.12 C ATOM 1370 C TYR A 87 -0.130 7.627 10.295 1.00 32.44 C ATOM 1371 O TYR A 87 1.086 7.477 10.398 1.00 71.25 O ATOM 1372 CB TYR A 87 -1.503 7.508 8.208 1.00 74.12 C ATOM 1373 CG TYR A 87 -0.424 8.117 7.341 1.00 31.02 C ATOM 1374 CD1 TYR A 87 0.298 7.337 6.447 1.00 63.11 C ATOM 1375 CD2 TYR A 87 -0.127 9.472 7.418 1.00 45.20 C ATOM 1376 CE1 TYR A 87 1.287 7.888 5.655 1.00 54.23 C ATOM 1377 CE2 TYR A 87 0.859 10.033 6.628 1.00 63.54 C ATOM 1378 CZ TYR A 87 1.562 9.237 5.748 1.00 61.41 C ATOM 1379 OH TYR A 87 2.546 9.791 4.960 1.00 73.20 O ATOM 0 H TYR A 87 -2.984 6.431 9.869 1.00 3.42 H new ATOM 0 HA TYR A 87 -0.317 5.916 9.029 1.00 24.12 H new ATOM 0 HB2 TYR A 87 -2.121 6.851 7.596 1.00 74.12 H new ATOM 0 HB3 TYR A 87 -2.151 8.302 8.578 1.00 74.12 H new ATOM 0 HD1 TYR A 87 0.083 6.282 6.370 1.00 63.11 H new ATOM 0 HD2 TYR A 87 -0.676 10.098 8.107 1.00 45.20 H new ATOM 0 HE1 TYR A 87 1.841 7.267 4.967 1.00 54.23 H new ATOM 0 HE2 TYR A 87 1.078 11.088 6.699 1.00 63.54 H new ATOM 0 HH TYR A 87 2.613 10.751 5.147 1.00 73.20 H new ATOM 1389 N GLY A 88 -0.800 8.574 10.945 1.00 21.32 N ATOM 1390 CA GLY A 88 -0.110 9.497 11.827 1.00 11.52 C ATOM 1391 C GLY A 88 0.732 8.786 12.867 1.00 64.32 C ATOM 1392 O GLY A 88 1.741 9.319 13.332 1.00 12.21 O ATOM 0 H GLY A 88 -1.807 8.718 10.877 1.00 21.32 H new ATOM 0 HA2 GLY A 88 0.528 10.153 11.234 1.00 11.52 H new ATOM 0 HA3 GLY A 88 -0.841 10.131 12.328 1.00 11.52 H new ATOM 1396 N THR A 89 0.320 7.577 13.236 1.00 71.23 N ATOM 1397 CA THR A 89 1.042 6.793 14.229 1.00 72.52 C ATOM 1398 C THR A 89 2.163 5.986 13.584 1.00 35.22 C ATOM 1399 O THR A 89 3.136 5.622 14.242 1.00 21.43 O ATOM 1400 CB THR A 89 0.100 5.831 14.979 1.00 1.21 C ATOM 1401 OG1 THR A 89 -0.578 4.983 14.047 1.00 61.23 O ATOM 1402 CG2 THR A 89 -0.919 6.606 15.801 1.00 33.54 C ATOM 0 H THR A 89 -0.511 7.120 12.861 1.00 71.23 H new ATOM 0 HA THR A 89 1.469 7.501 14.940 1.00 72.52 H new ATOM 0 HB THR A 89 0.701 5.221 15.653 1.00 1.21 H new ATOM 0 HG1 THR A 89 -0.269 4.060 14.160 1.00 61.23 H new ATOM 0 HG21 THR A 89 -1.574 5.907 16.322 1.00 33.54 H new ATOM 0 HG22 THR A 89 -0.400 7.229 16.529 1.00 33.54 H new ATOM 0 HG23 THR A 89 -1.514 7.238 15.141 1.00 33.54 H new ATOM 1410 N MET A 90 2.019 5.712 12.291 1.00 23.22 N ATOM 1411 CA MET A 90 3.023 4.949 11.557 1.00 14.20 C ATOM 1412 C MET A 90 3.144 3.534 12.111 1.00 30.24 C ATOM 1413 O MET A 90 4.200 3.138 12.602 1.00 0.43 O ATOM 1414 CB MET A 90 4.379 5.654 11.624 1.00 43.45 C ATOM 1415 CG MET A 90 4.310 7.138 11.301 1.00 10.03 C ATOM 1416 SD MET A 90 4.819 8.174 12.686 1.00 71.43 S ATOM 1417 CE MET A 90 6.504 7.615 12.926 1.00 33.22 C ATOM 0 H MET A 90 1.219 6.006 11.731 1.00 23.22 H new ATOM 0 HA MET A 90 2.706 4.885 10.516 1.00 14.20 H new ATOM 0 HB2 MET A 90 4.796 5.527 12.623 1.00 43.45 H new ATOM 0 HB3 MET A 90 5.065 5.171 10.928 1.00 43.45 H new ATOM 0 HG2 MET A 90 4.946 7.349 10.441 1.00 10.03 H new ATOM 0 HG3 MET A 90 3.291 7.397 11.014 1.00 10.03 H new ATOM 0 HE1 MET A 90 6.668 7.396 13.981 1.00 33.22 H new ATOM 0 HE2 MET A 90 6.676 6.714 12.337 1.00 33.22 H new ATOM 0 HE3 MET A 90 7.195 8.395 12.606 1.00 33.22 H new ATOM 1427 N ASN A 91 2.055 2.776 12.030 1.00 50.43 N ATOM 1428 CA ASN A 91 2.040 1.404 12.525 1.00 21.11 C ATOM 1429 C ASN A 91 2.447 0.426 11.428 1.00 72.22 C ATOM 1430 O ASN A 91 1.612 -0.032 10.647 1.00 13.45 O ATOM 1431 CB ASN A 91 0.649 1.046 13.053 1.00 2.53 C ATOM 1432 CG ASN A 91 0.456 1.461 14.499 1.00 34.31 C ATOM 1433 OD1 ASN A 91 0.698 2.612 14.864 1.00 72.41 O ATOM 1434 ND2 ASN A 91 0.017 0.522 15.330 1.00 54.51 N ATOM 0 H ASN A 91 1.172 3.088 11.626 1.00 50.43 H new ATOM 0 HA ASN A 91 2.761 1.329 13.339 1.00 21.11 H new ATOM 0 HB2 ASN A 91 -0.107 1.530 12.435 1.00 2.53 H new ATOM 0 HB3 ASN A 91 0.494 -0.029 12.962 1.00 2.53 H new ATOM 0 HD21 ASN A 91 -0.133 0.742 16.315 1.00 54.51 H new ATOM 0 HD22 ASN A 91 -0.170 -0.419 14.983 1.00 54.51 H new ATOM 1441 N GLY A 92 3.737 0.107 11.374 1.00 54.42 N ATOM 1442 CA GLY A 92 4.232 -0.816 10.370 1.00 4.32 C ATOM 1443 C GLY A 92 3.455 -2.116 10.344 1.00 32.52 C ATOM 1444 O GLY A 92 3.055 -2.586 9.280 1.00 52.14 O ATOM 0 H GLY A 92 4.448 0.472 12.008 1.00 54.42 H new ATOM 0 HA2 GLY A 92 4.177 -0.344 9.389 1.00 4.32 H new ATOM 0 HA3 GLY A 92 5.283 -1.029 10.563 1.00 4.32 H new ATOM 1448 N GLU A 93 3.242 -2.700 11.519 1.00 54.32 N ATOM 1449 CA GLU A 93 2.509 -3.956 11.625 1.00 23.12 C ATOM 1450 C GLU A 93 1.151 -3.855 10.935 1.00 4.21 C ATOM 1451 O GLU A 93 0.789 -4.708 10.124 1.00 43.31 O ATOM 1452 CB GLU A 93 2.319 -4.339 13.095 1.00 2.41 C ATOM 1453 CG GLU A 93 1.732 -5.726 13.292 1.00 70.21 C ATOM 1454 CD GLU A 93 1.112 -5.908 14.663 1.00 32.40 C ATOM 1455 OE1 GLU A 93 0.774 -4.889 15.301 1.00 53.31 O ATOM 1456 OE2 GLU A 93 0.965 -7.069 15.100 1.00 65.43 O ATOM 0 H GLU A 93 3.566 -2.324 12.410 1.00 54.32 H new ATOM 0 HA GLU A 93 3.093 -4.730 11.127 1.00 23.12 H new ATOM 0 HB2 GLU A 93 3.282 -4.286 13.603 1.00 2.41 H new ATOM 0 HB3 GLU A 93 1.667 -3.607 13.571 1.00 2.41 H new ATOM 0 HG2 GLU A 93 0.976 -5.908 12.528 1.00 70.21 H new ATOM 0 HG3 GLU A 93 2.515 -6.471 13.150 1.00 70.21 H new ATOM 1463 N LYS A 94 0.405 -2.806 11.264 1.00 72.43 N ATOM 1464 CA LYS A 94 -0.913 -2.591 10.676 1.00 5.53 C ATOM 1465 C LYS A 94 -0.811 -2.409 9.166 1.00 10.40 C ATOM 1466 O LYS A 94 -1.675 -2.864 8.416 1.00 25.21 O ATOM 1467 CB LYS A 94 -1.579 -1.365 11.305 1.00 21.42 C ATOM 1468 CG LYS A 94 -1.973 -1.565 12.759 1.00 72.50 C ATOM 1469 CD LYS A 94 -3.297 -2.300 12.881 1.00 52.40 C ATOM 1470 CE LYS A 94 -3.494 -2.866 14.279 1.00 1.12 C ATOM 1471 NZ LYS A 94 -2.906 -4.227 14.414 1.00 22.54 N ATOM 0 H LYS A 94 0.690 -2.092 11.934 1.00 72.43 H new ATOM 0 HA LYS A 94 -1.523 -3.472 10.877 1.00 5.53 H new ATOM 0 HB2 LYS A 94 -0.898 -0.516 11.235 1.00 21.42 H new ATOM 0 HB3 LYS A 94 -2.468 -1.109 10.728 1.00 21.42 H new ATOM 0 HG2 LYS A 94 -1.194 -2.128 13.274 1.00 72.50 H new ATOM 0 HG3 LYS A 94 -2.046 -0.597 13.254 1.00 72.50 H new ATOM 0 HD2 LYS A 94 -4.115 -1.620 12.644 1.00 52.40 H new ATOM 0 HD3 LYS A 94 -3.334 -3.109 12.151 1.00 52.40 H new ATOM 0 HE2 LYS A 94 -3.036 -2.198 15.009 1.00 1.12 H new ATOM 0 HE3 LYS A 94 -4.559 -2.906 14.508 1.00 1.12 H new ATOM 0 HZ1 LYS A 94 -3.061 -4.578 15.381 1.00 22.54 H new ATOM 0 HZ2 LYS A 94 -3.361 -4.870 13.735 1.00 22.54 H new ATOM 0 HZ3 LYS A 94 -1.885 -4.185 14.221 1.00 22.54 H new ATOM 1485 N VAL A 95 0.250 -1.739 8.724 1.00 73.41 N ATOM 1486 CA VAL A 95 0.465 -1.500 7.302 1.00 12.44 C ATOM 1487 C VAL A 95 0.651 -2.809 6.546 1.00 25.24 C ATOM 1488 O VAL A 95 -0.192 -3.199 5.737 1.00 5.43 O ATOM 1489 CB VAL A 95 1.693 -0.601 7.064 1.00 24.34 C ATOM 1490 CG1 VAL A 95 1.917 -0.386 5.576 1.00 72.11 C ATOM 1491 CG2 VAL A 95 1.528 0.729 7.785 1.00 31.42 C ATOM 0 H VAL A 95 0.973 -1.353 9.331 1.00 73.41 H new ATOM 0 HA VAL A 95 -0.425 -0.993 6.928 1.00 12.44 H new ATOM 0 HB VAL A 95 2.572 -1.101 7.470 1.00 24.34 H new ATOM 0 HG11 VAL A 95 2.789 0.251 5.428 1.00 72.11 H new ATOM 0 HG12 VAL A 95 2.084 -1.348 5.090 1.00 72.11 H new ATOM 0 HG13 VAL A 95 1.039 0.093 5.141 1.00 72.11 H new ATOM 0 HG21 VAL A 95 2.405 1.351 7.606 1.00 31.42 H new ATOM 0 HG22 VAL A 95 0.639 1.238 7.411 1.00 31.42 H new ATOM 0 HG23 VAL A 95 1.421 0.552 8.855 1.00 31.42 H new ATOM 1501 N LEU A 96 1.762 -3.487 6.815 1.00 41.35 N ATOM 1502 CA LEU A 96 2.062 -4.756 6.160 1.00 55.43 C ATOM 1503 C LEU A 96 0.888 -5.723 6.284 1.00 42.51 C ATOM 1504 O LEU A 96 0.541 -6.416 5.328 1.00 33.32 O ATOM 1505 CB LEU A 96 3.319 -5.381 6.766 1.00 2.14 C ATOM 1506 CG LEU A 96 3.369 -5.443 8.293 1.00 0.05 C ATOM 1507 CD1 LEU A 96 3.126 -6.863 8.778 1.00 61.40 C ATOM 1508 CD2 LEU A 96 4.705 -4.923 8.804 1.00 33.45 C ATOM 0 H LEU A 96 2.470 -3.179 7.482 1.00 41.35 H new ATOM 0 HA LEU A 96 2.236 -4.559 5.102 1.00 55.43 H new ATOM 0 HB2 LEU A 96 3.420 -6.395 6.378 1.00 2.14 H new ATOM 0 HB3 LEU A 96 4.185 -4.818 6.417 1.00 2.14 H new ATOM 0 HG LEU A 96 2.578 -4.806 8.690 1.00 0.05 H new ATOM 0 HD11 LEU A 96 3.165 -6.887 9.867 1.00 61.40 H new ATOM 0 HD12 LEU A 96 2.145 -7.199 8.443 1.00 61.40 H new ATOM 0 HD13 LEU A 96 3.893 -7.522 8.372 1.00 61.40 H new ATOM 0 HD21 LEU A 96 4.723 -4.974 9.893 1.00 33.45 H new ATOM 0 HD22 LEU A 96 5.512 -5.533 8.398 1.00 33.45 H new ATOM 0 HD23 LEU A 96 4.838 -3.889 8.487 1.00 33.45 H new ATOM 1520 N GLN A 97 0.283 -5.761 7.466 1.00 14.20 N ATOM 1521 CA GLN A 97 -0.853 -6.642 7.713 1.00 52.02 C ATOM 1522 C GLN A 97 -2.016 -6.304 6.786 1.00 15.03 C ATOM 1523 O GLN A 97 -2.666 -7.196 6.237 1.00 5.45 O ATOM 1524 CB GLN A 97 -1.300 -6.534 9.172 1.00 1.32 C ATOM 1525 CG GLN A 97 -0.436 -7.334 10.134 1.00 71.04 C ATOM 1526 CD GLN A 97 -0.789 -8.808 10.145 1.00 25.54 C ATOM 1527 OE1 GLN A 97 -1.611 -9.256 10.946 1.00 62.23 O ATOM 1528 NE2 GLN A 97 -0.166 -9.573 9.256 1.00 73.50 N ATOM 0 H GLN A 97 0.559 -5.193 8.267 1.00 14.20 H new ATOM 0 HA GLN A 97 -0.538 -7.666 7.511 1.00 52.02 H new ATOM 0 HB2 GLN A 97 -1.287 -5.486 9.471 1.00 1.32 H new ATOM 0 HB3 GLN A 97 -2.332 -6.876 9.253 1.00 1.32 H new ATOM 0 HG2 GLN A 97 0.612 -7.217 9.859 1.00 71.04 H new ATOM 0 HG3 GLN A 97 -0.548 -6.930 11.140 1.00 71.04 H new ATOM 0 HE21 GLN A 97 0.508 -9.160 8.611 1.00 73.50 H new ATOM 0 HE22 GLN A 97 -0.361 -10.573 9.218 1.00 73.50 H new ATOM 1537 N LEU A 98 -2.275 -5.012 6.616 1.00 42.00 N ATOM 1538 CA LEU A 98 -3.361 -4.556 5.755 1.00 65.51 C ATOM 1539 C LEU A 98 -3.111 -4.958 4.304 1.00 32.33 C ATOM 1540 O LEU A 98 -3.994 -5.502 3.641 1.00 41.34 O ATOM 1541 CB LEU A 98 -3.514 -3.038 5.855 1.00 2.01 C ATOM 1542 CG LEU A 98 -4.846 -2.464 5.370 1.00 64.14 C ATOM 1543 CD1 LEU A 98 -5.986 -2.940 6.256 1.00 55.11 C ATOM 1544 CD2 LEU A 98 -4.791 -0.944 5.337 1.00 11.51 C ATOM 0 H LEU A 98 -1.748 -4.262 7.063 1.00 42.00 H new ATOM 0 HA LEU A 98 -4.282 -5.031 6.092 1.00 65.51 H new ATOM 0 HB2 LEU A 98 -3.373 -2.747 6.896 1.00 2.01 H new ATOM 0 HB3 LEU A 98 -2.711 -2.574 5.282 1.00 2.01 H new ATOM 0 HG LEU A 98 -5.027 -2.822 4.357 1.00 64.14 H new ATOM 0 HD11 LEU A 98 -6.926 -2.522 5.896 1.00 55.11 H new ATOM 0 HD12 LEU A 98 -6.039 -4.028 6.228 1.00 55.11 H new ATOM 0 HD13 LEU A 98 -5.812 -2.612 7.281 1.00 55.11 H new ATOM 0 HD21 LEU A 98 -5.747 -0.553 4.990 1.00 11.51 H new ATOM 0 HD22 LEU A 98 -4.586 -0.565 6.338 1.00 11.51 H new ATOM 0 HD23 LEU A 98 -4.000 -0.623 4.659 1.00 11.51 H new ATOM 1556 N ALA A 99 -1.903 -4.691 3.821 1.00 62.12 N ATOM 1557 CA ALA A 99 -1.536 -5.030 2.451 1.00 12.32 C ATOM 1558 C ALA A 99 -1.712 -6.521 2.188 1.00 61.03 C ATOM 1559 O ALA A 99 -2.440 -6.918 1.277 1.00 21.20 O ATOM 1560 CB ALA A 99 -0.101 -4.607 2.170 1.00 73.13 C ATOM 0 H ALA A 99 -1.161 -4.241 4.357 1.00 62.12 H new ATOM 0 HA ALA A 99 -2.201 -4.489 1.778 1.00 12.32 H new ATOM 0 HB1 ALA A 99 0.160 -4.866 1.144 1.00 73.13 H new ATOM 0 HB2 ALA A 99 -0.005 -3.530 2.308 1.00 73.13 H new ATOM 0 HB3 ALA A 99 0.571 -5.122 2.856 1.00 73.13 H new ATOM 1566 N ILE A 100 -1.042 -7.341 2.990 1.00 62.21 N ATOM 1567 CA ILE A 100 -1.126 -8.790 2.843 1.00 44.34 C ATOM 1568 C ILE A 100 -2.572 -9.267 2.912 1.00 12.30 C ATOM 1569 O ILE A 100 -3.029 -10.023 2.056 1.00 53.34 O ATOM 1570 CB ILE A 100 -0.306 -9.514 3.927 1.00 15.02 C ATOM 1571 CG1 ILE A 100 1.160 -9.081 3.863 1.00 42.31 C ATOM 1572 CG2 ILE A 100 -0.426 -11.021 3.763 1.00 32.40 C ATOM 1573 CD1 ILE A 100 1.936 -9.386 5.125 1.00 23.43 C ATOM 0 H ILE A 100 -0.435 -7.028 3.748 1.00 62.21 H new ATOM 0 HA ILE A 100 -0.713 -9.032 1.864 1.00 44.34 H new ATOM 0 HB ILE A 100 -0.703 -9.242 4.905 1.00 15.02 H new ATOM 0 HG12 ILE A 100 1.641 -9.579 3.021 1.00 42.31 H new ATOM 0 HG13 ILE A 100 1.206 -8.010 3.668 1.00 42.31 H new ATOM 0 HG21 ILE A 100 0.159 -11.519 4.536 1.00 32.40 H new ATOM 0 HG22 ILE A 100 -1.472 -11.315 3.853 1.00 32.40 H new ATOM 0 HG23 ILE A 100 -0.051 -11.311 2.781 1.00 32.40 H new ATOM 0 HD11 ILE A 100 2.967 -9.052 5.008 1.00 23.43 H new ATOM 0 HD12 ILE A 100 1.480 -8.866 5.967 1.00 23.43 H new ATOM 0 HD13 ILE A 100 1.922 -10.460 5.310 1.00 23.43 H new ATOM 1585 N ASN A 101 -3.289 -8.817 3.937 1.00 52.31 N ATOM 1586 CA ASN A 101 -4.687 -9.196 4.118 1.00 64.34 C ATOM 1587 C ASN A 101 -5.498 -8.895 2.862 1.00 73.10 C ATOM 1588 O ASN A 101 -6.257 -9.738 2.384 1.00 60.22 O ATOM 1589 CB ASN A 101 -5.286 -8.459 5.316 1.00 61.32 C ATOM 1590 CG ASN A 101 -4.903 -9.096 6.638 1.00 45.42 C ATOM 1591 OD1 ASN A 101 -3.916 -9.828 6.724 1.00 13.34 O ATOM 1592 ND2 ASN A 101 -5.684 -8.820 7.676 1.00 41.45 N ATOM 0 H ASN A 101 -2.926 -8.190 4.655 1.00 52.31 H new ATOM 0 HA ASN A 101 -4.726 -10.269 4.305 1.00 64.34 H new ATOM 0 HB2 ASN A 101 -4.951 -7.422 5.305 1.00 61.32 H new ATOM 0 HB3 ASN A 101 -6.372 -8.444 5.224 1.00 61.32 H new ATOM 0 HD21 ASN A 101 -5.476 -9.220 8.591 1.00 41.45 H new ATOM 0 HD22 ASN A 101 -6.492 -8.208 7.558 1.00 41.45 H new ATOM 1599 N ALA A 102 -5.333 -7.687 2.333 1.00 71.33 N ATOM 1600 CA ALA A 102 -6.049 -7.275 1.132 1.00 61.22 C ATOM 1601 C ALA A 102 -5.718 -8.188 -0.044 1.00 71.14 C ATOM 1602 O ALA A 102 -6.606 -8.599 -0.793 1.00 30.22 O ATOM 1603 CB ALA A 102 -5.718 -5.830 0.790 1.00 52.12 C ATOM 0 H ALA A 102 -4.710 -6.977 2.717 1.00 71.33 H new ATOM 0 HA ALA A 102 -7.118 -7.354 1.331 1.00 61.22 H new ATOM 0 HB1 ALA A 102 -6.260 -5.536 -0.109 1.00 52.12 H new ATOM 0 HB2 ALA A 102 -6.011 -5.184 1.618 1.00 52.12 H new ATOM 0 HB3 ALA A 102 -4.646 -5.734 0.616 1.00 52.12 H new ATOM 1609 N PHE A 103 -4.436 -8.500 -0.204 1.00 31.25 N ATOM 1610 CA PHE A 103 -3.989 -9.363 -1.290 1.00 3.52 C ATOM 1611 C PHE A 103 -4.689 -10.717 -1.233 1.00 74.53 C ATOM 1612 O PHE A 103 -5.311 -11.147 -2.204 1.00 13.12 O ATOM 1613 CB PHE A 103 -2.472 -9.556 -1.224 1.00 21.31 C ATOM 1614 CG PHE A 103 -1.908 -10.282 -2.412 1.00 70.22 C ATOM 1615 CD1 PHE A 103 -1.925 -9.700 -3.668 1.00 44.44 C ATOM 1616 CD2 PHE A 103 -1.362 -11.548 -2.272 1.00 61.30 C ATOM 1617 CE1 PHE A 103 -1.406 -10.366 -4.763 1.00 15.43 C ATOM 1618 CE2 PHE A 103 -0.842 -12.219 -3.363 1.00 20.13 C ATOM 1619 CZ PHE A 103 -0.864 -11.626 -4.610 1.00 41.15 C ATOM 0 H PHE A 103 -3.689 -8.168 0.405 1.00 31.25 H new ATOM 0 HA PHE A 103 -4.247 -8.881 -2.233 1.00 3.52 H new ATOM 0 HB2 PHE A 103 -1.993 -8.580 -1.143 1.00 21.31 H new ATOM 0 HB3 PHE A 103 -2.223 -10.109 -0.318 1.00 21.31 H new ATOM 0 HD1 PHE A 103 -2.348 -8.715 -3.794 1.00 44.44 H new ATOM 0 HD2 PHE A 103 -1.343 -12.016 -1.299 1.00 61.30 H new ATOM 0 HE1 PHE A 103 -1.425 -9.901 -5.737 1.00 15.43 H new ATOM 0 HE2 PHE A 103 -0.419 -13.205 -3.240 1.00 20.13 H new ATOM 0 HZ PHE A 103 -0.458 -12.147 -5.464 1.00 41.15 H new ATOM 1629 N ASN A 104 -4.582 -11.385 -0.090 1.00 25.04 N ATOM 1630 CA ASN A 104 -5.203 -12.691 0.095 1.00 21.42 C ATOM 1631 C ASN A 104 -6.715 -12.605 -0.091 1.00 64.02 C ATOM 1632 O ASN A 104 -7.295 -13.346 -0.884 1.00 21.13 O ATOM 1633 CB ASN A 104 -4.880 -13.241 1.486 1.00 72.52 C ATOM 1634 CG ASN A 104 -3.542 -13.954 1.530 1.00 52.24 C ATOM 1635 OD1 ASN A 104 -3.394 -15.055 0.999 1.00 54.04 O ATOM 1636 ND2 ASN A 104 -2.558 -13.327 2.165 1.00 52.52 N ATOM 0 H ASN A 104 -4.070 -11.043 0.723 1.00 25.04 H new ATOM 0 HA ASN A 104 -4.799 -13.367 -0.658 1.00 21.42 H new ATOM 0 HB2 ASN A 104 -4.876 -12.422 2.205 1.00 72.52 H new ATOM 0 HB3 ASN A 104 -5.666 -13.931 1.792 1.00 72.52 H new ATOM 0 HD21 ASN A 104 -1.635 -13.757 2.227 1.00 52.52 H new ATOM 0 HD22 ASN A 104 -2.725 -12.415 2.591 1.00 52.52 H new ATOM 1643 N ASN A 105 -7.345 -11.696 0.643 1.00 12.35 N ATOM 1644 CA ASN A 105 -8.790 -11.512 0.559 1.00 63.30 C ATOM 1645 C ASN A 105 -9.226 -11.285 -0.885 1.00 11.44 C ATOM 1646 O ASN A 105 -10.308 -11.709 -1.293 1.00 1.05 O ATOM 1647 CB ASN A 105 -9.227 -10.331 1.428 1.00 3.41 C ATOM 1648 CG ASN A 105 -10.708 -10.367 1.751 1.00 43.12 C ATOM 1649 OD1 ASN A 105 -11.371 -11.388 1.564 1.00 42.50 O ATOM 1650 ND2 ASN A 105 -11.235 -9.249 2.237 1.00 23.23 N ATOM 0 H ASN A 105 -6.879 -11.074 1.303 1.00 12.35 H new ATOM 0 HA ASN A 105 -9.269 -12.420 0.926 1.00 63.30 H new ATOM 0 HB2 ASN A 105 -8.655 -10.335 2.356 1.00 3.41 H new ATOM 0 HB3 ASN A 105 -8.993 -9.399 0.914 1.00 3.41 H new ATOM 0 HD21 ASN A 105 -12.227 -9.213 2.472 1.00 23.23 H new ATOM 0 HD22 ASN A 105 -10.648 -8.427 2.376 1.00 23.23 H new ATOM 1657 N LYS A 106 -8.376 -10.614 -1.655 1.00 1.33 N ATOM 1658 CA LYS A 106 -8.671 -10.331 -3.054 1.00 41.42 C ATOM 1659 C LYS A 106 -7.436 -10.540 -3.924 1.00 23.24 C ATOM 1660 O LYS A 106 -6.598 -9.647 -4.053 1.00 22.10 O ATOM 1661 CB LYS A 106 -9.180 -8.895 -3.210 1.00 60.44 C ATOM 1662 CG LYS A 106 -10.628 -8.714 -2.788 1.00 1.03 C ATOM 1663 CD LYS A 106 -11.370 -7.781 -3.730 1.00 71.53 C ATOM 1664 CE LYS A 106 -12.876 -7.881 -3.539 1.00 43.42 C ATOM 1665 NZ LYS A 106 -13.613 -7.647 -4.812 1.00 42.32 N ATOM 0 H LYS A 106 -7.477 -10.256 -1.333 1.00 1.33 H new ATOM 0 HA LYS A 106 -9.447 -11.023 -3.382 1.00 41.42 H new ATOM 0 HB2 LYS A 106 -8.552 -8.229 -2.618 1.00 60.44 H new ATOM 0 HB3 LYS A 106 -9.073 -8.592 -4.251 1.00 60.44 H new ATOM 0 HG2 LYS A 106 -11.126 -9.683 -2.767 1.00 1.03 H new ATOM 0 HG3 LYS A 106 -10.666 -8.315 -1.774 1.00 1.03 H new ATOM 0 HD2 LYS A 106 -11.047 -6.754 -3.557 1.00 71.53 H new ATOM 0 HD3 LYS A 106 -11.116 -8.025 -4.761 1.00 71.53 H new ATOM 0 HE2 LYS A 106 -13.128 -8.867 -3.149 1.00 43.42 H new ATOM 0 HE3 LYS A 106 -13.197 -7.153 -2.794 1.00 43.42 H new ATOM 0 HZ1 LYS A 106 -14.636 -7.724 -4.640 1.00 42.32 H new ATOM 0 HZ2 LYS A 106 -13.393 -6.696 -5.171 1.00 42.32 H new ATOM 0 HZ3 LYS A 106 -13.326 -8.358 -5.515 1.00 42.32 H new ATOM 1679 N SER A 107 -7.329 -11.724 -4.519 1.00 15.44 N ATOM 1680 CA SER A 107 -6.195 -12.050 -5.374 1.00 62.44 C ATOM 1681 C SER A 107 -6.633 -12.182 -6.831 1.00 2.44 C ATOM 1682 O SER A 107 -6.092 -12.994 -7.581 1.00 53.54 O ATOM 1683 CB SER A 107 -5.536 -13.351 -4.910 1.00 31.13 C ATOM 1684 OG SER A 107 -6.509 -14.339 -4.614 1.00 53.41 O ATOM 0 H SER A 107 -8.015 -12.473 -4.424 1.00 15.44 H new ATOM 0 HA SER A 107 -5.472 -11.238 -5.301 1.00 62.44 H new ATOM 0 HB2 SER A 107 -4.864 -13.719 -5.686 1.00 31.13 H new ATOM 0 HB3 SER A 107 -4.928 -13.159 -4.026 1.00 31.13 H new ATOM 0 HG SER A 107 -6.062 -15.161 -4.322 1.00 53.41 H new ATOM 1690 N SER A 108 -7.615 -11.375 -7.221 1.00 42.15 N ATOM 1691 CA SER A 108 -8.128 -11.403 -8.586 1.00 11.54 C ATOM 1692 C SER A 108 -8.602 -12.804 -8.960 1.00 50.44 C ATOM 1693 O SER A 108 -8.316 -13.298 -10.050 1.00 22.04 O ATOM 1694 CB SER A 108 -7.051 -10.938 -9.568 1.00 11.20 C ATOM 1695 OG SER A 108 -7.575 -10.817 -10.879 1.00 72.01 O ATOM 0 H SER A 108 -8.070 -10.695 -6.612 1.00 42.15 H new ATOM 0 HA SER A 108 -8.978 -10.724 -8.642 1.00 11.54 H new ATOM 0 HB2 SER A 108 -6.649 -9.978 -9.244 1.00 11.20 H new ATOM 0 HB3 SER A 108 -6.223 -11.647 -9.568 1.00 11.20 H new ATOM 0 HG SER A 108 -8.047 -11.641 -11.120 1.00 72.01 H new ATOM 1701 N VAL A 109 -9.331 -13.438 -8.047 1.00 30.35 N ATOM 1702 CA VAL A 109 -9.848 -14.782 -8.280 1.00 44.51 C ATOM 1703 C VAL A 109 -10.918 -14.778 -9.366 1.00 23.24 C ATOM 1704 O VAL A 109 -11.135 -13.769 -10.034 1.00 3.12 O ATOM 1705 CB VAL A 109 -10.439 -15.386 -6.993 1.00 0.34 C ATOM 1706 CG1 VAL A 109 -11.617 -14.556 -6.506 1.00 2.32 C ATOM 1707 CG2 VAL A 109 -10.855 -16.831 -7.225 1.00 61.40 C ATOM 0 H VAL A 109 -9.577 -13.043 -7.139 1.00 30.35 H new ATOM 0 HA VAL A 109 -9.007 -15.394 -8.606 1.00 44.51 H new ATOM 0 HB VAL A 109 -9.671 -15.372 -6.220 1.00 0.34 H new ATOM 0 HG11 VAL A 109 -12.022 -14.998 -5.596 1.00 2.32 H new ATOM 0 HG12 VAL A 109 -11.284 -13.539 -6.299 1.00 2.32 H new ATOM 0 HG13 VAL A 109 -12.390 -14.536 -7.274 1.00 2.32 H new ATOM 0 HG21 VAL A 109 -11.271 -17.242 -6.305 1.00 61.40 H new ATOM 0 HG22 VAL A 109 -11.607 -16.871 -8.013 1.00 61.40 H new ATOM 0 HG23 VAL A 109 -9.985 -17.416 -7.524 1.00 61.40 H new TER 1717 VAL A 109