USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 811 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 Single : A 1 GLY N :NH3+ -100:sc= 0.0242 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.826 X(o=-0.83,f=-1.1!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0115 X(o=-0.011,f=-0.17) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 7 TYR OH : rot 80:sc= -1.67 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.1) USER MOD Single : A 17 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 24 GLN : amide:sc= -0.492 K(o=-0.49,f=-2.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 121:sc= 0.618 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.41 K(o=-1.4,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.36) USER MOD Single : A 61 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.37) USER MOD Single : A 62 SER OG : rot 129:sc= 1.08 USER MOD Single : A 73 SER OG : rot 180:sc= 0.117 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0.0541 X(o=0.054,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= 0.126 K(o=0.13,f=-2.1!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.788 3.658 -0.783 1.00 41.34 N ATOM 2 CA GLY A 1 2.938 2.358 -1.410 1.00 20.10 C ATOM 3 C GLY A 1 4.186 1.632 -0.948 1.00 43.43 C ATOM 4 O GLY A 1 5.201 2.259 -0.648 1.00 44.25 O ATOM 0 H1 GLY A 1 2.106 3.589 -0.001 1.00 41.34 H new ATOM 0 H2 GLY A 1 3.708 3.974 -0.414 1.00 41.34 H new ATOM 0 H3 GLY A 1 2.442 4.344 -1.484 1.00 41.34 H new ATOM 0 HA2 GLY A 1 2.063 1.748 -1.187 1.00 20.10 H new ATOM 0 HA3 GLY A 1 2.973 2.482 -2.492 1.00 20.10 H new ATOM 8 N ASN A 2 4.111 0.307 -0.889 1.00 74.33 N ATOM 9 CA ASN A 2 5.243 -0.505 -0.458 1.00 60.03 C ATOM 10 C ASN A 2 5.453 -1.689 -1.398 1.00 12.32 C ATOM 11 O ASN A 2 5.164 -2.832 -1.046 1.00 23.41 O ATOM 12 CB ASN A 2 5.023 -1.006 0.970 1.00 24.35 C ATOM 13 CG ASN A 2 6.327 -1.317 1.681 1.00 14.31 C ATOM 14 OD1 ASN A 2 6.820 -2.443 1.632 1.00 63.43 O ATOM 15 ND2 ASN A 2 6.890 -0.316 2.347 1.00 2.41 N ATOM 0 H ASN A 2 3.278 -0.228 -1.134 1.00 74.33 H new ATOM 0 HA ASN A 2 6.136 0.119 -0.484 1.00 60.03 H new ATOM 0 HB2 ASN A 2 4.474 -0.253 1.536 1.00 24.35 H new ATOM 0 HB3 ASN A 2 4.403 -1.902 0.946 1.00 24.35 H new ATOM 0 HD21 ASN A 2 7.767 -0.465 2.845 1.00 2.41 H new ATOM 0 HD22 ASN A 2 6.445 0.602 2.360 1.00 2.41 H new ATOM 22 N SER A 3 5.957 -1.405 -2.594 1.00 63.24 N ATOM 23 CA SER A 3 6.203 -2.445 -3.586 1.00 61.53 C ATOM 24 C SER A 3 7.692 -2.552 -3.904 1.00 75.30 C ATOM 25 O SER A 3 8.188 -3.625 -4.245 1.00 60.34 O ATOM 26 CB SER A 3 5.416 -2.156 -4.866 1.00 4.30 C ATOM 27 OG SER A 3 4.111 -2.702 -4.797 1.00 14.35 O ATOM 0 H SER A 3 6.203 -0.464 -2.900 1.00 63.24 H new ATOM 0 HA SER A 3 5.869 -3.395 -3.170 1.00 61.53 H new ATOM 0 HB2 SER A 3 5.355 -1.079 -5.024 1.00 4.30 H new ATOM 0 HB3 SER A 3 5.944 -2.574 -5.723 1.00 4.30 H new ATOM 0 HG SER A 3 3.628 -2.502 -5.626 1.00 14.35 H new ATOM 33 N GLN A 4 8.397 -1.432 -3.789 1.00 14.41 N ATOM 34 CA GLN A 4 9.828 -1.399 -4.064 1.00 41.55 C ATOM 35 C GLN A 4 10.632 -1.688 -2.801 1.00 45.44 C ATOM 36 O GLN A 4 10.712 -0.852 -1.900 1.00 64.13 O ATOM 37 CB GLN A 4 10.227 -0.038 -4.637 1.00 43.53 C ATOM 38 CG GLN A 4 9.776 1.137 -3.785 1.00 3.43 C ATOM 39 CD GLN A 4 8.854 2.081 -4.532 1.00 31.53 C ATOM 40 OE1 GLN A 4 9.134 2.473 -5.665 1.00 33.02 O ATOM 41 NE2 GLN A 4 7.746 2.450 -3.900 1.00 21.25 N ATOM 0 H GLN A 4 8.001 -0.535 -3.507 1.00 14.41 H new ATOM 0 HA GLN A 4 10.049 -2.174 -4.798 1.00 41.55 H new ATOM 0 HB2 GLN A 4 11.311 -0.002 -4.745 1.00 43.53 H new ATOM 0 HB3 GLN A 4 9.803 0.065 -5.636 1.00 43.53 H new ATOM 0 HG2 GLN A 4 9.265 0.763 -2.898 1.00 3.43 H new ATOM 0 HG3 GLN A 4 10.651 1.688 -3.440 1.00 3.43 H new ATOM 0 HE21 GLN A 4 7.554 2.101 -2.961 1.00 21.25 H new ATOM 0 HE22 GLN A 4 7.087 3.083 -4.353 1.00 21.25 H new ATOM 50 N ILE A 5 11.226 -2.875 -2.743 1.00 10.13 N ATOM 51 CA ILE A 5 12.024 -3.273 -1.590 1.00 65.01 C ATOM 52 C ILE A 5 13.343 -3.903 -2.026 1.00 0.11 C ATOM 53 O ILE A 5 13.392 -4.656 -2.999 1.00 41.01 O ATOM 54 CB ILE A 5 11.264 -4.269 -0.695 1.00 73.22 C ATOM 55 CG1 ILE A 5 9.837 -3.776 -0.444 1.00 3.03 C ATOM 56 CG2 ILE A 5 12.001 -4.469 0.621 1.00 53.32 C ATOM 57 CD1 ILE A 5 9.775 -2.468 0.313 1.00 11.31 C ATOM 0 H ILE A 5 11.170 -3.577 -3.480 1.00 10.13 H new ATOM 0 HA ILE A 5 12.227 -2.367 -1.019 1.00 65.01 H new ATOM 0 HB ILE A 5 11.212 -5.229 -1.208 1.00 73.22 H new ATOM 0 HG12 ILE A 5 9.328 -3.657 -1.401 1.00 3.03 H new ATOM 0 HG13 ILE A 5 9.291 -4.536 0.115 1.00 3.03 H new ATOM 0 HG21 ILE A 5 11.451 -5.176 1.242 1.00 53.32 H new ATOM 0 HG22 ILE A 5 12.999 -4.860 0.423 1.00 53.32 H new ATOM 0 HG23 ILE A 5 12.082 -3.515 1.141 1.00 53.32 H new ATOM 0 HD11 ILE A 5 8.734 -2.179 0.455 1.00 11.31 H new ATOM 0 HD12 ILE A 5 10.255 -2.587 1.285 1.00 11.31 H new ATOM 0 HD13 ILE A 5 10.292 -1.694 -0.255 1.00 11.31 H new ATOM 69 N HIS A 6 14.411 -3.591 -1.298 1.00 73.10 N ATOM 70 CA HIS A 6 15.731 -4.129 -1.608 1.00 12.31 C ATOM 71 C HIS A 6 16.474 -4.514 -0.332 1.00 73.02 C ATOM 72 O HIS A 6 16.237 -3.943 0.732 1.00 11.34 O ATOM 73 CB HIS A 6 16.548 -3.107 -2.399 1.00 10.21 C ATOM 74 CG HIS A 6 16.625 -1.763 -1.741 1.00 61.34 C ATOM 75 ND1 HIS A 6 15.683 -0.775 -1.935 1.00 72.43 N ATOM 76 CD2 HIS A 6 17.539 -1.247 -0.887 1.00 0.01 C ATOM 77 CE1 HIS A 6 16.015 0.291 -1.230 1.00 13.12 C ATOM 78 NE2 HIS A 6 17.137 0.031 -0.584 1.00 61.31 N ATOM 0 H HIS A 6 14.388 -2.969 -0.490 1.00 73.10 H new ATOM 0 HA HIS A 6 15.598 -5.025 -2.214 1.00 12.31 H new ATOM 0 HB2 HIS A 6 17.558 -3.492 -2.540 1.00 10.21 H new ATOM 0 HB3 HIS A 6 16.110 -2.992 -3.390 1.00 10.21 H new ATOM 0 HD2 HIS A 6 18.420 -1.747 -0.513 1.00 0.01 H new ATOM 0 HE1 HIS A 6 15.463 1.218 -1.189 1.00 13.12 H new ATOM 0 HE2 HIS A 6 17.626 0.674 0.039 1.00 61.31 H new ATOM 86 N TYR A 7 17.372 -5.486 -0.447 1.00 74.11 N ATOM 87 CA TYR A 7 18.147 -5.950 0.698 1.00 54.05 C ATOM 88 C TYR A 7 19.643 -5.849 0.419 1.00 2.33 C ATOM 89 O TYR A 7 20.060 -5.602 -0.712 1.00 64.13 O ATOM 90 CB TYR A 7 17.777 -7.394 1.039 1.00 74.31 C ATOM 91 CG TYR A 7 16.289 -7.661 1.010 1.00 34.24 C ATOM 92 CD1 TYR A 7 15.388 -6.739 1.530 1.00 73.51 C ATOM 93 CD2 TYR A 7 15.783 -8.835 0.465 1.00 4.11 C ATOM 94 CE1 TYR A 7 14.027 -6.979 1.507 1.00 64.13 C ATOM 95 CE2 TYR A 7 14.425 -9.082 0.436 1.00 33.23 C ATOM 96 CZ TYR A 7 13.551 -8.152 0.958 1.00 12.45 C ATOM 97 OH TYR A 7 12.197 -8.395 0.933 1.00 54.10 O ATOM 0 H TYR A 7 17.581 -5.968 -1.321 1.00 74.11 H new ATOM 0 HA TYR A 7 17.910 -5.311 1.549 1.00 54.05 H new ATOM 0 HB2 TYR A 7 18.271 -8.063 0.335 1.00 74.31 H new ATOM 0 HB3 TYR A 7 18.161 -7.634 2.030 1.00 74.31 H new ATOM 0 HD1 TYR A 7 15.758 -5.820 1.959 1.00 73.51 H new ATOM 0 HD2 TYR A 7 16.464 -9.567 0.057 1.00 4.11 H new ATOM 0 HE1 TYR A 7 13.340 -6.253 1.916 1.00 64.13 H new ATOM 0 HE2 TYR A 7 14.049 -9.999 0.007 1.00 33.23 H new ATOM 0 HH TYR A 7 11.791 -7.907 0.186 1.00 54.10 H new ATOM 107 N SER A 8 20.446 -6.042 1.461 1.00 44.44 N ATOM 108 CA SER A 8 21.897 -5.969 1.331 1.00 60.21 C ATOM 109 C SER A 8 22.554 -7.238 1.865 1.00 62.44 C ATOM 110 O SER A 8 22.299 -7.654 2.995 1.00 2.13 O ATOM 111 CB SER A 8 22.437 -4.749 2.079 1.00 52.53 C ATOM 112 OG SER A 8 21.721 -3.577 1.727 1.00 61.23 O ATOM 0 H SER A 8 20.117 -6.250 2.404 1.00 44.44 H new ATOM 0 HA SER A 8 22.138 -5.873 0.272 1.00 60.21 H new ATOM 0 HB2 SER A 8 22.363 -4.915 3.154 1.00 52.53 H new ATOM 0 HB3 SER A 8 23.494 -4.616 1.849 1.00 52.53 H new ATOM 0 HG SER A 8 22.084 -2.812 2.220 1.00 61.23 H new ATOM 118 N ILE A 9 23.401 -7.849 1.043 1.00 70.13 N ATOM 119 CA ILE A 9 24.096 -9.070 1.432 1.00 51.14 C ATOM 120 C ILE A 9 25.485 -9.135 0.806 1.00 50.13 C ATOM 121 O ILE A 9 25.646 -9.087 -0.414 1.00 23.21 O ATOM 122 CB ILE A 9 23.302 -10.324 1.023 1.00 73.43 C ATOM 123 CG1 ILE A 9 24.150 -11.581 1.229 1.00 35.34 C ATOM 124 CG2 ILE A 9 22.850 -10.216 -0.426 1.00 35.22 C ATOM 125 CD1 ILE A 9 23.389 -12.868 0.998 1.00 72.10 C ATOM 0 H ILE A 9 23.622 -7.518 0.104 1.00 70.13 H new ATOM 0 HA ILE A 9 24.190 -9.047 2.518 1.00 51.14 H new ATOM 0 HB ILE A 9 22.417 -10.397 1.655 1.00 73.43 H new ATOM 0 HG12 ILE A 9 25.005 -11.548 0.553 1.00 35.34 H new ATOM 0 HG13 ILE A 9 24.546 -11.580 2.244 1.00 35.34 H new ATOM 0 HG21 ILE A 9 22.290 -11.110 -0.700 1.00 35.22 H new ATOM 0 HG22 ILE A 9 22.214 -9.339 -0.544 1.00 35.22 H new ATOM 0 HG23 ILE A 9 23.722 -10.122 -1.073 1.00 35.22 H new ATOM 0 HD11 ILE A 9 24.052 -13.717 1.162 1.00 72.10 H new ATOM 0 HD12 ILE A 9 22.550 -12.924 1.691 1.00 72.10 H new ATOM 0 HD13 ILE A 9 23.016 -12.891 -0.026 1.00 72.10 H new ATOM 137 N PRO A 10 26.514 -9.248 1.659 1.00 73.31 N ATOM 138 CA PRO A 10 27.908 -9.325 1.212 1.00 32.03 C ATOM 139 C PRO A 10 28.219 -10.641 0.508 1.00 24.33 C ATOM 140 O PRO A 10 27.786 -11.707 0.945 1.00 14.44 O ATOM 141 CB PRO A 10 28.704 -9.214 2.515 1.00 41.32 C ATOM 142 CG PRO A 10 27.776 -9.708 3.570 1.00 54.41 C ATOM 143 CD PRO A 10 26.395 -9.311 3.125 1.00 0.14 C ATOM 0 HA PRO A 10 28.146 -8.550 0.483 1.00 32.03 H new ATOM 0 HB2 PRO A 10 29.613 -9.814 2.475 1.00 41.32 H new ATOM 0 HB3 PRO A 10 29.009 -8.185 2.706 1.00 41.32 H new ATOM 0 HG2 PRO A 10 27.854 -10.789 3.683 1.00 54.41 H new ATOM 0 HG3 PRO A 10 28.016 -9.268 4.538 1.00 54.41 H new ATOM 0 HD2 PRO A 10 25.647 -10.040 3.436 1.00 0.14 H new ATOM 0 HD3 PRO A 10 26.098 -8.350 3.546 1.00 0.14 H new ATOM 151 N GLU A 11 28.974 -10.559 -0.583 1.00 71.31 N ATOM 152 CA GLU A 11 29.343 -11.745 -1.347 1.00 34.51 C ATOM 153 C GLU A 11 29.865 -12.845 -0.426 1.00 44.44 C ATOM 154 O GLU A 11 30.215 -12.589 0.725 1.00 10.13 O ATOM 155 CB GLU A 11 30.402 -11.396 -2.395 1.00 14.14 C ATOM 156 CG GLU A 11 29.840 -10.684 -3.614 1.00 10.55 C ATOM 157 CD GLU A 11 30.711 -10.855 -4.843 1.00 24.15 C ATOM 158 OE1 GLU A 11 31.886 -10.433 -4.802 1.00 13.34 O ATOM 159 OE2 GLU A 11 30.218 -11.413 -5.845 1.00 43.45 O ATOM 0 H GLU A 11 29.342 -9.684 -0.957 1.00 71.31 H new ATOM 0 HA GLU A 11 28.450 -12.112 -1.853 1.00 34.51 H new ATOM 0 HB2 GLU A 11 31.163 -10.765 -1.935 1.00 14.14 H new ATOM 0 HB3 GLU A 11 30.899 -12.311 -2.716 1.00 14.14 H new ATOM 0 HG2 GLU A 11 28.841 -11.066 -3.825 1.00 10.55 H new ATOM 0 HG3 GLU A 11 29.734 -9.622 -3.393 1.00 10.55 H new ATOM 166 N GLU A 12 29.915 -14.068 -0.944 1.00 33.11 N ATOM 167 CA GLU A 12 30.393 -15.206 -0.168 1.00 63.21 C ATOM 168 C GLU A 12 29.466 -15.490 1.010 1.00 2.35 C ATOM 169 O GLU A 12 29.904 -15.965 2.058 1.00 71.24 O ATOM 170 CB GLU A 12 31.814 -14.946 0.337 1.00 32.14 C ATOM 171 CG GLU A 12 32.771 -16.098 0.083 1.00 60.32 C ATOM 172 CD GLU A 12 34.181 -15.800 0.553 1.00 4.10 C ATOM 173 OE1 GLU A 12 34.348 -15.429 1.734 1.00 52.35 O ATOM 174 OE2 GLU A 12 35.119 -15.938 -0.260 1.00 60.24 O ATOM 0 H GLU A 12 29.631 -14.296 -1.897 1.00 33.11 H new ATOM 0 HA GLU A 12 30.401 -16.080 -0.820 1.00 63.21 H new ATOM 0 HB2 GLU A 12 32.203 -14.049 -0.144 1.00 32.14 H new ATOM 0 HB3 GLU A 12 31.779 -14.744 1.407 1.00 32.14 H new ATOM 0 HG2 GLU A 12 32.403 -16.989 0.591 1.00 60.32 H new ATOM 0 HG3 GLU A 12 32.788 -16.323 -0.983 1.00 60.32 H new ATOM 181 N ALA A 13 28.183 -15.193 0.831 1.00 22.30 N ATOM 182 CA ALA A 13 27.194 -15.417 1.878 1.00 72.22 C ATOM 183 C ALA A 13 26.687 -16.855 1.856 1.00 24.41 C ATOM 184 O ALA A 13 25.738 -17.180 1.142 1.00 2.13 O ATOM 185 CB ALA A 13 26.034 -14.445 1.724 1.00 12.32 C ATOM 0 H ALA A 13 27.804 -14.797 -0.029 1.00 22.30 H new ATOM 0 HA ALA A 13 27.675 -15.243 2.841 1.00 72.22 H new ATOM 0 HB1 ALA A 13 25.303 -14.623 2.512 1.00 12.32 H new ATOM 0 HB2 ALA A 13 26.404 -13.422 1.797 1.00 12.32 H new ATOM 0 HB3 ALA A 13 25.563 -14.592 0.752 1.00 12.32 H new ATOM 191 N LYS A 14 27.327 -17.715 2.642 1.00 41.20 N ATOM 192 CA LYS A 14 26.942 -19.119 2.714 1.00 32.21 C ATOM 193 C LYS A 14 25.447 -19.260 2.984 1.00 22.21 C ATOM 194 O LYS A 14 24.821 -18.362 3.548 1.00 75.42 O ATOM 195 CB LYS A 14 27.738 -19.832 3.809 1.00 21.23 C ATOM 196 CG LYS A 14 28.905 -20.648 3.280 1.00 51.11 C ATOM 197 CD LYS A 14 30.138 -20.489 4.153 1.00 2.02 C ATOM 198 CE LYS A 14 31.405 -20.871 3.403 1.00 21.03 C ATOM 199 NZ LYS A 14 32.137 -21.978 4.079 1.00 72.44 N ATOM 0 H LYS A 14 28.115 -17.463 3.238 1.00 41.20 H new ATOM 0 HA LYS A 14 27.165 -19.581 1.752 1.00 32.21 H new ATOM 0 HB2 LYS A 14 28.114 -19.091 4.514 1.00 21.23 H new ATOM 0 HB3 LYS A 14 27.068 -20.489 4.364 1.00 21.23 H new ATOM 0 HG2 LYS A 14 28.623 -21.700 3.235 1.00 51.11 H new ATOM 0 HG3 LYS A 14 29.136 -20.336 2.262 1.00 51.11 H new ATOM 0 HD2 LYS A 14 30.213 -19.456 4.494 1.00 2.02 H new ATOM 0 HD3 LYS A 14 30.038 -21.112 5.042 1.00 2.02 H new ATOM 0 HE2 LYS A 14 31.149 -21.172 2.387 1.00 21.03 H new ATOM 0 HE3 LYS A 14 32.056 -20.001 3.323 1.00 21.03 H new ATOM 0 HZ1 LYS A 14 32.994 -22.209 3.537 1.00 72.44 H new ATOM 0 HZ2 LYS A 14 32.404 -21.682 5.040 1.00 72.44 H new ATOM 0 HZ3 LYS A 14 31.525 -22.817 4.133 1.00 72.44 H new ATOM 213 N HIS A 15 24.882 -20.393 2.579 1.00 35.15 N ATOM 214 CA HIS A 15 23.460 -20.652 2.780 1.00 22.10 C ATOM 215 C HIS A 15 23.067 -20.428 4.237 1.00 25.22 C ATOM 216 O HIS A 15 23.623 -21.049 5.143 1.00 74.24 O ATOM 217 CB HIS A 15 23.117 -22.082 2.361 1.00 13.11 C ATOM 218 CG HIS A 15 23.276 -22.330 0.893 1.00 73.33 C ATOM 219 ND1 HIS A 15 22.640 -23.359 0.230 1.00 13.02 N ATOM 220 CD2 HIS A 15 24.003 -21.675 -0.042 1.00 74.25 C ATOM 221 CE1 HIS A 15 22.970 -23.327 -1.048 1.00 50.15 C ATOM 222 NE2 HIS A 15 23.796 -22.314 -1.240 1.00 73.13 N ATOM 0 H HIS A 15 25.386 -21.146 2.110 1.00 35.15 H new ATOM 0 HA HIS A 15 22.898 -19.954 2.160 1.00 22.10 H new ATOM 0 HB2 HIS A 15 23.755 -22.775 2.909 1.00 13.11 H new ATOM 0 HB3 HIS A 15 22.088 -22.299 2.649 1.00 13.11 H new ATOM 0 HD1 HIS A 15 22.013 -24.039 0.660 1.00 13.02 H new ATOM 0 HD2 HIS A 15 24.629 -20.811 0.123 1.00 74.25 H new ATOM 0 HE1 HIS A 15 22.624 -24.012 -1.807 1.00 50.15 H new ATOM 230 N GLY A 16 22.107 -19.535 4.456 1.00 75.51 N ATOM 231 CA GLY A 16 21.657 -19.245 5.805 1.00 51.13 C ATOM 232 C GLY A 16 22.157 -17.905 6.306 1.00 15.43 C ATOM 233 O GLY A 16 21.991 -17.571 7.480 1.00 12.31 O ATOM 0 H GLY A 16 21.633 -19.007 3.723 1.00 75.51 H new ATOM 0 HA2 GLY A 16 20.567 -19.256 5.832 1.00 51.13 H new ATOM 0 HA3 GLY A 16 22.000 -20.032 6.477 1.00 51.13 H new ATOM 237 N THR A 17 22.772 -17.133 5.416 1.00 63.23 N ATOM 238 CA THR A 17 23.300 -15.823 5.775 1.00 65.13 C ATOM 239 C THR A 17 22.218 -14.753 5.693 1.00 1.23 C ATOM 240 O THR A 17 21.355 -14.794 4.817 1.00 73.24 O ATOM 241 CB THR A 17 24.474 -15.421 4.861 1.00 11.04 C ATOM 242 OG1 THR A 17 25.551 -16.353 5.009 1.00 41.22 O ATOM 243 CG2 THR A 17 24.961 -14.018 5.192 1.00 21.44 C ATOM 0 H THR A 17 22.917 -17.393 4.440 1.00 63.23 H new ATOM 0 HA THR A 17 23.657 -15.897 6.802 1.00 65.13 H new ATOM 0 HB THR A 17 24.123 -15.433 3.829 1.00 11.04 H new ATOM 0 HG1 THR A 17 25.513 -17.014 4.287 1.00 41.22 H new ATOM 0 HG21 THR A 17 25.790 -13.756 4.534 1.00 21.44 H new ATOM 0 HG22 THR A 17 24.147 -13.307 5.050 1.00 21.44 H new ATOM 0 HG23 THR A 17 25.296 -13.984 6.229 1.00 21.44 H new ATOM 251 N PHE A 18 22.270 -13.794 6.612 1.00 22.11 N ATOM 252 CA PHE A 18 21.293 -12.712 6.644 1.00 3.01 C ATOM 253 C PHE A 18 21.351 -11.889 5.360 1.00 30.04 C ATOM 254 O PHE A 18 22.422 -11.680 4.791 1.00 63.20 O ATOM 255 CB PHE A 18 21.541 -11.809 7.854 1.00 52.41 C ATOM 256 CG PHE A 18 20.830 -10.488 7.772 1.00 73.24 C ATOM 257 CD1 PHE A 18 19.448 -10.435 7.680 1.00 1.03 C ATOM 258 CD2 PHE A 18 21.543 -9.300 7.786 1.00 34.21 C ATOM 259 CE1 PHE A 18 18.791 -9.221 7.604 1.00 64.34 C ATOM 260 CE2 PHE A 18 20.891 -8.083 7.710 1.00 23.41 C ATOM 261 CZ PHE A 18 19.514 -8.044 7.620 1.00 72.12 C ATOM 0 H PHE A 18 22.978 -13.744 7.344 1.00 22.11 H new ATOM 0 HA PHE A 18 20.300 -13.154 6.727 1.00 3.01 H new ATOM 0 HB2 PHE A 18 21.221 -12.329 8.757 1.00 52.41 H new ATOM 0 HB3 PHE A 18 22.612 -11.631 7.951 1.00 52.41 H new ATOM 0 HD1 PHE A 18 18.878 -11.352 7.668 1.00 1.03 H new ATOM 0 HD2 PHE A 18 22.620 -9.325 7.857 1.00 34.21 H new ATOM 0 HE1 PHE A 18 17.714 -9.193 7.532 1.00 64.34 H new ATOM 0 HE2 PHE A 18 21.458 -7.164 7.721 1.00 23.41 H new ATOM 0 HZ PHE A 18 19.003 -7.095 7.562 1.00 72.12 H new ATOM 271 N VAL A 19 20.190 -11.424 4.910 1.00 71.33 N ATOM 272 CA VAL A 19 20.107 -10.624 3.694 1.00 51.20 C ATOM 273 C VAL A 19 19.289 -9.358 3.924 1.00 33.21 C ATOM 274 O VAL A 19 19.708 -8.261 3.560 1.00 40.51 O ATOM 275 CB VAL A 19 19.480 -11.424 2.537 1.00 70.02 C ATOM 276 CG1 VAL A 19 19.530 -10.623 1.245 1.00 54.31 C ATOM 277 CG2 VAL A 19 20.185 -12.762 2.371 1.00 11.15 C ATOM 0 H VAL A 19 19.294 -11.588 5.369 1.00 71.33 H new ATOM 0 HA VAL A 19 21.127 -10.350 3.425 1.00 51.20 H new ATOM 0 HB VAL A 19 18.434 -11.617 2.777 1.00 70.02 H new ATOM 0 HG11 VAL A 19 19.083 -11.204 0.439 1.00 54.31 H new ATOM 0 HG12 VAL A 19 18.976 -9.693 1.372 1.00 54.31 H new ATOM 0 HG13 VAL A 19 20.567 -10.397 0.997 1.00 54.31 H new ATOM 0 HG21 VAL A 19 19.729 -13.314 1.549 1.00 11.15 H new ATOM 0 HG22 VAL A 19 21.240 -12.593 2.154 1.00 11.15 H new ATOM 0 HG23 VAL A 19 20.092 -13.339 3.291 1.00 11.15 H new ATOM 287 N GLY A 20 18.117 -9.520 4.532 1.00 3.43 N ATOM 288 CA GLY A 20 17.258 -8.381 4.801 1.00 22.44 C ATOM 289 C GLY A 20 15.836 -8.793 5.127 1.00 1.32 C ATOM 290 O GLY A 20 15.177 -9.458 4.328 1.00 32.34 O ATOM 0 H GLY A 20 17.748 -10.419 4.843 1.00 3.43 H new ATOM 0 HA2 GLY A 20 17.668 -7.809 5.634 1.00 22.44 H new ATOM 0 HA3 GLY A 20 17.252 -7.721 3.934 1.00 22.44 H new ATOM 294 N ARG A 21 15.362 -8.397 6.304 1.00 24.43 N ATOM 295 CA ARG A 21 14.010 -8.732 6.735 1.00 42.40 C ATOM 296 C ARG A 21 12.999 -8.435 5.631 1.00 22.32 C ATOM 297 O ARG A 21 12.596 -7.288 5.437 1.00 20.10 O ATOM 298 CB ARG A 21 13.646 -7.949 7.998 1.00 23.11 C ATOM 299 CG ARG A 21 14.657 -8.104 9.123 1.00 41.33 C ATOM 300 CD ARG A 21 15.177 -6.755 9.594 1.00 43.55 C ATOM 301 NE ARG A 21 16.585 -6.814 9.977 1.00 63.31 N ATOM 302 CZ ARG A 21 17.024 -7.430 11.069 1.00 0.43 C ATOM 303 NH1 ARG A 21 16.169 -8.035 11.882 1.00 51.02 N ATOM 304 NH2 ARG A 21 18.321 -7.441 11.350 1.00 13.35 N ATOM 0 H ARG A 21 15.894 -7.844 6.976 1.00 24.43 H new ATOM 0 HA ARG A 21 13.979 -9.799 6.956 1.00 42.40 H new ATOM 0 HB2 ARG A 21 13.554 -6.892 7.746 1.00 23.11 H new ATOM 0 HB3 ARG A 21 12.669 -8.279 8.351 1.00 23.11 H new ATOM 0 HG2 ARG A 21 14.195 -8.629 9.959 1.00 41.33 H new ATOM 0 HG3 ARG A 21 15.491 -8.718 8.782 1.00 41.33 H new ATOM 0 HD2 ARG A 21 15.048 -6.020 8.800 1.00 43.55 H new ATOM 0 HD3 ARG A 21 14.584 -6.415 10.443 1.00 43.55 H new ATOM 0 HE ARG A 21 17.269 -6.357 9.373 1.00 63.31 H new ATOM 0 HH11 ARG A 21 15.171 -8.028 11.670 1.00 51.02 H new ATOM 0 HH12 ARG A 21 16.509 -8.507 12.720 1.00 51.02 H new ATOM 0 HH21 ARG A 21 18.982 -6.976 10.727 1.00 13.35 H new ATOM 0 HH22 ARG A 21 18.657 -7.914 12.189 1.00 13.35 H new ATOM 318 N ILE A 22 12.595 -9.476 4.911 1.00 33.45 N ATOM 319 CA ILE A 22 11.631 -9.327 3.828 1.00 31.43 C ATOM 320 C ILE A 22 10.254 -8.950 4.365 1.00 23.42 C ATOM 321 O ILE A 22 9.579 -8.081 3.815 1.00 3.33 O ATOM 322 CB ILE A 22 11.510 -10.620 3.000 1.00 20.54 C ATOM 323 CG1 ILE A 22 10.398 -10.483 1.958 1.00 1.24 C ATOM 324 CG2 ILE A 22 11.245 -11.810 3.911 1.00 4.14 C ATOM 325 CD1 ILE A 22 10.636 -11.301 0.709 1.00 62.31 C ATOM 0 H ILE A 22 12.920 -10.432 5.058 1.00 33.45 H new ATOM 0 HA ILE A 22 11.999 -8.527 3.186 1.00 31.43 H new ATOM 0 HB ILE A 22 12.452 -10.789 2.478 1.00 20.54 H new ATOM 0 HG12 ILE A 22 9.452 -10.786 2.406 1.00 1.24 H new ATOM 0 HG13 ILE A 22 10.298 -9.433 1.681 1.00 1.24 H new ATOM 0 HG21 ILE A 22 11.162 -12.716 3.311 1.00 4.14 H new ATOM 0 HG22 ILE A 22 12.068 -11.917 4.618 1.00 4.14 H new ATOM 0 HG23 ILE A 22 10.315 -11.650 4.457 1.00 4.14 H new ATOM 0 HD11 ILE A 22 9.808 -11.155 0.015 1.00 62.31 H new ATOM 0 HD12 ILE A 22 11.565 -10.982 0.237 1.00 62.31 H new ATOM 0 HD13 ILE A 22 10.706 -12.356 0.973 1.00 62.31 H new ATOM 337 N ALA A 23 9.845 -9.610 5.444 1.00 1.31 N ATOM 338 CA ALA A 23 8.551 -9.341 6.058 1.00 32.13 C ATOM 339 C ALA A 23 8.539 -7.977 6.739 1.00 11.32 C ATOM 340 O ALA A 23 7.585 -7.212 6.598 1.00 1.24 O ATOM 341 CB ALA A 23 8.204 -10.435 7.058 1.00 53.24 C ATOM 0 H ALA A 23 10.391 -10.334 5.910 1.00 1.31 H new ATOM 0 HA ALA A 23 7.798 -9.331 5.270 1.00 32.13 H new ATOM 0 HB1 ALA A 23 7.235 -10.222 7.509 1.00 53.24 H new ATOM 0 HB2 ALA A 23 8.162 -11.396 6.546 1.00 53.24 H new ATOM 0 HB3 ALA A 23 8.966 -10.472 7.836 1.00 53.24 H new ATOM 347 N GLN A 24 9.603 -7.679 7.477 1.00 25.42 N ATOM 348 CA GLN A 24 9.713 -6.407 8.181 1.00 65.02 C ATOM 349 C GLN A 24 9.606 -5.237 7.209 1.00 13.50 C ATOM 350 O GLN A 24 8.957 -4.232 7.501 1.00 33.04 O ATOM 351 CB GLN A 24 11.039 -6.334 8.941 1.00 13.53 C ATOM 352 CG GLN A 24 11.033 -5.324 10.078 1.00 51.35 C ATOM 353 CD GLN A 24 11.280 -3.906 9.600 1.00 63.41 C ATOM 354 OE1 GLN A 24 11.840 -3.690 8.525 1.00 61.13 O ATOM 355 NE2 GLN A 24 10.863 -2.931 10.399 1.00 42.14 N ATOM 0 H GLN A 24 10.401 -8.301 7.603 1.00 25.42 H new ATOM 0 HA GLN A 24 8.890 -6.341 8.893 1.00 65.02 H new ATOM 0 HB2 GLN A 24 11.273 -7.320 9.343 1.00 13.53 H new ATOM 0 HB3 GLN A 24 11.835 -6.078 8.242 1.00 13.53 H new ATOM 0 HG2 GLN A 24 10.073 -5.368 10.593 1.00 51.35 H new ATOM 0 HG3 GLN A 24 11.798 -5.597 10.805 1.00 51.35 H new ATOM 0 HE21 GLN A 24 10.403 -3.156 11.281 1.00 42.14 H new ATOM 0 HE22 GLN A 24 11.002 -1.957 10.130 1.00 42.14 H new ATOM 364 N ASP A 25 10.246 -5.373 6.053 1.00 11.01 N ATOM 365 CA ASP A 25 10.221 -4.327 5.037 1.00 5.24 C ATOM 366 C ASP A 25 8.880 -4.305 4.312 1.00 71.34 C ATOM 367 O ASP A 25 8.471 -3.277 3.770 1.00 23.21 O ATOM 368 CB ASP A 25 11.356 -4.535 4.033 1.00 73.33 C ATOM 369 CG ASP A 25 12.026 -3.234 3.638 1.00 54.14 C ATOM 370 OD1 ASP A 25 11.316 -2.212 3.522 1.00 24.23 O ATOM 371 OD2 ASP A 25 13.259 -3.237 3.444 1.00 1.15 O ATOM 0 H ASP A 25 10.789 -6.197 5.796 1.00 11.01 H new ATOM 0 HA ASP A 25 10.359 -3.367 5.535 1.00 5.24 H new ATOM 0 HB2 ASP A 25 12.099 -5.207 4.463 1.00 73.33 H new ATOM 0 HB3 ASP A 25 10.963 -5.023 3.141 1.00 73.33 H new ATOM 376 N LEU A 26 8.199 -5.446 4.303 1.00 23.14 N ATOM 377 CA LEU A 26 6.903 -5.559 3.643 1.00 64.10 C ATOM 378 C LEU A 26 5.797 -4.970 4.511 1.00 15.33 C ATOM 379 O LEU A 26 4.887 -4.309 4.012 1.00 72.24 O ATOM 380 CB LEU A 26 6.595 -7.024 3.329 1.00 62.14 C ATOM 381 CG LEU A 26 6.810 -7.459 1.879 1.00 64.04 C ATOM 382 CD1 LEU A 26 8.225 -7.132 1.428 1.00 44.24 C ATOM 383 CD2 LEU A 26 6.529 -8.946 1.720 1.00 33.15 C ATOM 0 H LEU A 26 8.523 -6.306 4.745 1.00 23.14 H new ATOM 0 HA LEU A 26 6.947 -4.995 2.711 1.00 64.10 H new ATOM 0 HB2 LEU A 26 7.214 -7.650 3.971 1.00 62.14 H new ATOM 0 HB3 LEU A 26 5.557 -7.222 3.597 1.00 62.14 H new ATOM 0 HG LEU A 26 6.112 -6.908 1.248 1.00 64.04 H new ATOM 0 HD11 LEU A 26 8.360 -7.449 0.394 1.00 44.24 H new ATOM 0 HD12 LEU A 26 8.392 -6.057 1.503 1.00 44.24 H new ATOM 0 HD13 LEU A 26 8.939 -7.655 2.064 1.00 44.24 H new ATOM 0 HD21 LEU A 26 6.687 -9.237 0.682 1.00 33.15 H new ATOM 0 HD22 LEU A 26 7.201 -9.514 2.363 1.00 33.15 H new ATOM 0 HD23 LEU A 26 5.497 -9.153 2.002 1.00 33.15 H new ATOM 395 N GLY A 27 5.882 -5.212 5.816 1.00 42.11 N ATOM 396 CA GLY A 27 4.883 -4.696 6.733 1.00 20.24 C ATOM 397 C GLY A 27 3.758 -5.682 6.980 1.00 65.21 C ATOM 398 O GLY A 27 2.590 -5.299 7.047 1.00 52.31 O ATOM 0 H GLY A 27 6.625 -5.756 6.254 1.00 42.11 H new ATOM 0 HA2 GLY A 27 5.359 -4.447 7.682 1.00 20.24 H new ATOM 0 HA3 GLY A 27 4.469 -3.771 6.332 1.00 20.24 H new ATOM 402 N LEU A 28 4.110 -6.956 7.114 1.00 72.33 N ATOM 403 CA LEU A 28 3.121 -8.002 7.353 1.00 53.35 C ATOM 404 C LEU A 28 3.575 -8.936 8.470 1.00 52.05 C ATOM 405 O LEU A 28 4.759 -9.250 8.586 1.00 52.15 O ATOM 406 CB LEU A 28 2.875 -8.801 6.072 1.00 63.23 C ATOM 407 CG LEU A 28 3.886 -8.589 4.944 1.00 20.21 C ATOM 408 CD1 LEU A 28 5.245 -9.150 5.333 1.00 60.11 C ATOM 409 CD2 LEU A 28 3.391 -9.231 3.656 1.00 33.02 C ATOM 0 H LEU A 28 5.072 -7.290 7.061 1.00 72.33 H new ATOM 0 HA LEU A 28 2.190 -7.525 7.660 1.00 53.35 H new ATOM 0 HB2 LEU A 28 2.861 -9.861 6.326 1.00 63.23 H new ATOM 0 HB3 LEU A 28 1.883 -8.550 5.696 1.00 63.23 H new ATOM 0 HG LEU A 28 3.993 -7.518 4.775 1.00 20.21 H new ATOM 0 HD11 LEU A 28 5.951 -8.990 4.518 1.00 60.11 H new ATOM 0 HD12 LEU A 28 5.604 -8.644 6.229 1.00 60.11 H new ATOM 0 HD13 LEU A 28 5.155 -10.218 5.531 1.00 60.11 H new ATOM 0 HD21 LEU A 28 4.123 -9.070 2.865 1.00 33.02 H new ATOM 0 HD22 LEU A 28 3.254 -10.301 3.812 1.00 33.02 H new ATOM 0 HD23 LEU A 28 2.440 -8.782 3.368 1.00 33.02 H new ATOM 421 N GLU A 29 2.624 -9.378 9.287 1.00 4.14 N ATOM 422 CA GLU A 29 2.928 -10.278 10.394 1.00 13.41 C ATOM 423 C GLU A 29 3.314 -11.662 9.880 1.00 10.51 C ATOM 424 O GLU A 29 2.718 -12.172 8.930 1.00 25.24 O ATOM 425 CB GLU A 29 1.726 -10.388 11.335 1.00 71.03 C ATOM 426 CG GLU A 29 2.102 -10.371 12.807 1.00 54.31 C ATOM 427 CD GLU A 29 1.409 -9.260 13.573 1.00 71.32 C ATOM 428 OE1 GLU A 29 1.245 -8.160 13.005 1.00 21.24 O ATOM 429 OE2 GLU A 29 1.030 -9.492 14.740 1.00 24.41 O ATOM 0 H GLU A 29 1.639 -9.128 9.204 1.00 4.14 H new ATOM 0 HA GLU A 29 3.774 -9.865 10.943 1.00 13.41 H new ATOM 0 HB2 GLU A 29 1.041 -9.564 11.134 1.00 71.03 H new ATOM 0 HB3 GLU A 29 1.188 -11.310 11.117 1.00 71.03 H new ATOM 0 HG2 GLU A 29 1.845 -11.331 13.255 1.00 54.31 H new ATOM 0 HG3 GLU A 29 3.182 -10.254 12.901 1.00 54.31 H new ATOM 436 N LEU A 30 4.315 -12.263 10.513 1.00 31.14 N ATOM 437 CA LEU A 30 4.782 -13.588 10.121 1.00 63.10 C ATOM 438 C LEU A 30 3.656 -14.612 10.212 1.00 34.11 C ATOM 439 O LEU A 30 3.667 -15.628 9.516 1.00 31.22 O ATOM 440 CB LEU A 30 5.953 -14.020 11.006 1.00 34.41 C ATOM 441 CG LEU A 30 6.994 -12.944 11.315 1.00 61.32 C ATOM 442 CD1 LEU A 30 8.224 -13.562 11.962 1.00 40.31 C ATOM 443 CD2 LEU A 30 7.376 -12.193 10.048 1.00 42.12 C ATOM 0 H LEU A 30 4.819 -11.854 11.300 1.00 31.14 H new ATOM 0 HA LEU A 30 5.117 -13.536 9.085 1.00 63.10 H new ATOM 0 HB2 LEU A 30 5.552 -14.390 11.949 1.00 34.41 H new ATOM 0 HB3 LEU A 30 6.457 -14.857 10.523 1.00 34.41 H new ATOM 0 HG LEU A 30 6.558 -12.234 12.017 1.00 61.32 H new ATOM 0 HD11 LEU A 30 8.954 -12.781 12.175 1.00 40.31 H new ATOM 0 HD12 LEU A 30 7.938 -14.054 12.891 1.00 40.31 H new ATOM 0 HD13 LEU A 30 8.663 -14.294 11.284 1.00 40.31 H new ATOM 0 HD21 LEU A 30 8.118 -11.431 10.286 1.00 42.12 H new ATOM 0 HD22 LEU A 30 7.794 -12.892 9.323 1.00 42.12 H new ATOM 0 HD23 LEU A 30 6.491 -11.718 9.626 1.00 42.12 H new ATOM 455 N THR A 31 2.681 -14.337 11.074 1.00 61.33 N ATOM 456 CA THR A 31 1.546 -15.233 11.255 1.00 22.43 C ATOM 457 C THR A 31 0.468 -14.975 10.209 1.00 44.33 C ATOM 458 O THR A 31 -0.597 -15.590 10.237 1.00 64.32 O ATOM 459 CB THR A 31 0.930 -15.082 12.659 1.00 53.12 C ATOM 460 OG1 THR A 31 0.374 -13.771 12.811 1.00 5.11 O ATOM 461 CG2 THR A 31 1.974 -15.324 13.738 1.00 65.33 C ATOM 0 H THR A 31 2.655 -13.501 11.657 1.00 61.33 H new ATOM 0 HA THR A 31 1.924 -16.249 11.139 1.00 22.43 H new ATOM 0 HB THR A 31 0.141 -15.826 12.767 1.00 53.12 H new ATOM 0 HG1 THR A 31 -0.017 -13.683 13.705 1.00 5.11 H new ATOM 0 HG21 THR A 31 1.515 -15.212 14.720 1.00 65.33 H new ATOM 0 HG22 THR A 31 2.374 -16.333 13.638 1.00 65.33 H new ATOM 0 HG23 THR A 31 2.783 -14.601 13.631 1.00 65.33 H new ATOM 469 N GLU A 32 0.753 -14.061 9.286 1.00 11.32 N ATOM 470 CA GLU A 32 -0.194 -13.722 8.230 1.00 1.54 C ATOM 471 C GLU A 32 0.308 -14.206 6.873 1.00 2.41 C ATOM 472 O GLU A 32 -0.468 -14.357 5.929 1.00 53.10 O ATOM 473 CB GLU A 32 -0.427 -12.210 8.191 1.00 54.15 C ATOM 474 CG GLU A 32 -1.865 -11.824 7.887 1.00 53.10 C ATOM 475 CD GLU A 32 -2.795 -12.067 9.060 1.00 4.33 C ATOM 476 OE1 GLU A 32 -2.378 -11.810 10.209 1.00 23.54 O ATOM 477 OE2 GLU A 32 -3.938 -12.513 8.830 1.00 41.10 O ATOM 0 H GLU A 32 1.631 -13.543 9.248 1.00 11.32 H new ATOM 0 HA GLU A 32 -1.137 -14.223 8.448 1.00 1.54 H new ATOM 0 HB2 GLU A 32 -0.140 -11.782 9.151 1.00 54.15 H new ATOM 0 HB3 GLU A 32 0.226 -11.769 7.437 1.00 54.15 H new ATOM 0 HG2 GLU A 32 -1.904 -10.771 7.610 1.00 53.10 H new ATOM 0 HG3 GLU A 32 -2.216 -12.393 7.026 1.00 53.10 H new ATOM 484 N LEU A 33 1.611 -14.446 6.783 1.00 65.52 N ATOM 485 CA LEU A 33 2.219 -14.913 5.541 1.00 21.03 C ATOM 486 C LEU A 33 1.733 -16.316 5.191 1.00 44.21 C ATOM 487 O LEU A 33 1.424 -16.607 4.035 1.00 4.42 O ATOM 488 CB LEU A 33 3.744 -14.904 5.662 1.00 30.20 C ATOM 489 CG LEU A 33 4.432 -13.569 5.376 1.00 2.05 C ATOM 490 CD1 LEU A 33 3.968 -12.508 6.362 1.00 2.20 C ATOM 491 CD2 LEU A 33 5.945 -13.726 5.432 1.00 52.01 C ATOM 0 H LEU A 33 2.267 -14.325 7.554 1.00 65.52 H new ATOM 0 HA LEU A 33 1.920 -14.235 4.741 1.00 21.03 H new ATOM 0 HB2 LEU A 33 4.010 -15.218 6.671 1.00 30.20 H new ATOM 0 HB3 LEU A 33 4.147 -15.651 4.979 1.00 30.20 H new ATOM 0 HG LEU A 33 4.157 -13.248 4.371 1.00 2.05 H new ATOM 0 HD11 LEU A 33 4.468 -11.565 6.143 1.00 2.20 H new ATOM 0 HD12 LEU A 33 2.890 -12.376 6.274 1.00 2.20 H new ATOM 0 HD13 LEU A 33 4.213 -12.822 7.377 1.00 2.20 H new ATOM 0 HD21 LEU A 33 6.418 -12.766 5.226 1.00 52.01 H new ATOM 0 HD22 LEU A 33 6.239 -14.070 6.424 1.00 52.01 H new ATOM 0 HD23 LEU A 33 6.263 -14.455 4.686 1.00 52.01 H new ATOM 503 N VAL A 34 1.666 -17.182 6.197 1.00 5.11 N ATOM 504 CA VAL A 34 1.215 -18.554 5.996 1.00 11.43 C ATOM 505 C VAL A 34 -0.137 -18.590 5.292 1.00 1.33 C ATOM 506 O VAL A 34 -0.292 -19.178 4.222 1.00 42.53 O ATOM 507 CB VAL A 34 1.105 -19.310 7.334 1.00 42.14 C ATOM 508 CG1 VAL A 34 0.005 -20.358 7.266 1.00 60.01 C ATOM 509 CG2 VAL A 34 2.438 -19.947 7.696 1.00 43.03 C ATOM 0 H VAL A 34 1.918 -16.958 7.160 1.00 5.11 H new ATOM 0 HA VAL A 34 1.961 -19.044 5.370 1.00 11.43 H new ATOM 0 HB VAL A 34 0.845 -18.596 8.115 1.00 42.14 H new ATOM 0 HG11 VAL A 34 -0.058 -20.882 8.220 1.00 60.01 H new ATOM 0 HG12 VAL A 34 -0.948 -19.872 7.055 1.00 60.01 H new ATOM 0 HG13 VAL A 34 0.231 -21.072 6.474 1.00 60.01 H new ATOM 0 HG21 VAL A 34 2.343 -20.477 8.644 1.00 43.03 H new ATOM 0 HG22 VAL A 34 2.730 -20.649 6.915 1.00 43.03 H new ATOM 0 HG23 VAL A 34 3.198 -19.172 7.789 1.00 43.03 H new ATOM 519 N PRO A 35 -1.141 -17.946 5.906 1.00 41.20 N ATOM 520 CA PRO A 35 -2.498 -17.888 5.355 1.00 33.43 C ATOM 521 C PRO A 35 -2.579 -17.024 4.102 1.00 53.30 C ATOM 522 O PRO A 35 -3.554 -17.090 3.353 1.00 61.13 O ATOM 523 CB PRO A 35 -3.315 -17.264 6.489 1.00 30.24 C ATOM 524 CG PRO A 35 -2.328 -16.473 7.276 1.00 21.02 C ATOM 525 CD PRO A 35 -1.028 -17.224 7.184 1.00 12.33 C ATOM 0 HA PRO A 35 -2.854 -18.871 5.045 1.00 33.43 H new ATOM 0 HB2 PRO A 35 -4.111 -16.629 6.100 1.00 30.24 H new ATOM 0 HB3 PRO A 35 -3.789 -18.030 7.103 1.00 30.24 H new ATOM 0 HG2 PRO A 35 -2.226 -15.465 6.874 1.00 21.02 H new ATOM 0 HG3 PRO A 35 -2.647 -16.371 8.313 1.00 21.02 H new ATOM 0 HD2 PRO A 35 -0.172 -16.549 7.190 1.00 12.33 H new ATOM 0 HD3 PRO A 35 -0.899 -17.909 8.022 1.00 12.33 H new ATOM 533 N ARG A 36 -1.550 -16.213 3.880 1.00 24.41 N ATOM 534 CA ARG A 36 -1.505 -15.335 2.717 1.00 33.03 C ATOM 535 C ARG A 36 -0.853 -16.037 1.530 1.00 74.31 C ATOM 536 O ARG A 36 -0.530 -15.406 0.523 1.00 71.34 O ATOM 537 CB ARG A 36 -0.739 -14.053 3.049 1.00 71.11 C ATOM 538 CG ARG A 36 -1.600 -12.978 3.691 1.00 10.24 C ATOM 539 CD ARG A 36 -0.778 -11.754 4.063 1.00 43.35 C ATOM 540 NE ARG A 36 -1.530 -10.822 4.899 1.00 63.21 N ATOM 541 CZ ARG A 36 -1.216 -9.538 5.034 1.00 31.53 C ATOM 542 NH1 ARG A 36 -0.171 -9.037 4.391 1.00 1.44 N ATOM 543 NH2 ARG A 36 -1.949 -8.754 5.814 1.00 52.12 N ATOM 0 H ARG A 36 -0.736 -16.146 4.491 1.00 24.41 H new ATOM 0 HA ARG A 36 -2.529 -15.079 2.447 1.00 33.03 H new ATOM 0 HB2 ARG A 36 0.085 -14.296 3.720 1.00 71.11 H new ATOM 0 HB3 ARG A 36 -0.299 -13.656 2.134 1.00 71.11 H new ATOM 0 HG2 ARG A 36 -2.395 -12.689 3.004 1.00 10.24 H new ATOM 0 HG3 ARG A 36 -2.080 -13.380 4.583 1.00 10.24 H new ATOM 0 HD2 ARG A 36 0.122 -12.069 4.591 1.00 43.35 H new ATOM 0 HD3 ARG A 36 -0.454 -11.246 3.155 1.00 43.35 H new ATOM 0 HE ARG A 36 -2.341 -11.176 5.407 1.00 63.21 H new ATOM 0 HH11 ARG A 36 0.394 -9.637 3.791 1.00 1.44 H new ATOM 0 HH12 ARG A 36 0.068 -8.051 4.496 1.00 1.44 H new ATOM 0 HH21 ARG A 36 -2.754 -9.137 6.310 1.00 52.12 H new ATOM 0 HH22 ARG A 36 -1.708 -7.768 5.918 1.00 52.12 H new ATOM 557 N LEU A 37 -0.663 -17.346 1.655 1.00 4.02 N ATOM 558 CA LEU A 37 -0.049 -18.135 0.593 1.00 44.23 C ATOM 559 C LEU A 37 1.225 -17.466 0.085 1.00 71.54 C ATOM 560 O LEU A 37 1.363 -17.195 -1.108 1.00 55.13 O ATOM 561 CB LEU A 37 -1.034 -18.326 -0.562 1.00 44.40 C ATOM 562 CG LEU A 37 -2.016 -19.489 -0.421 1.00 11.20 C ATOM 563 CD1 LEU A 37 -1.274 -20.816 -0.418 1.00 34.50 C ATOM 564 CD2 LEU A 37 -2.845 -19.336 0.846 1.00 71.01 C ATOM 0 H LEU A 37 -0.925 -17.883 2.481 1.00 4.02 H new ATOM 0 HA LEU A 37 0.213 -19.110 1.003 1.00 44.23 H new ATOM 0 HB2 LEU A 37 -1.606 -17.406 -0.681 1.00 44.40 H new ATOM 0 HB3 LEU A 37 -0.464 -18.468 -1.480 1.00 44.40 H new ATOM 0 HG LEU A 37 -2.691 -19.476 -1.277 1.00 11.20 H new ATOM 0 HD11 LEU A 37 -1.989 -21.632 -0.317 1.00 34.50 H new ATOM 0 HD12 LEU A 37 -0.725 -20.928 -1.353 1.00 34.50 H new ATOM 0 HD13 LEU A 37 -0.575 -20.840 0.418 1.00 34.50 H new ATOM 0 HD21 LEU A 37 -3.539 -20.173 0.930 1.00 71.01 H new ATOM 0 HD22 LEU A 37 -2.185 -19.323 1.713 1.00 71.01 H new ATOM 0 HD23 LEU A 37 -3.406 -18.402 0.803 1.00 71.01 H new ATOM 576 N PHE A 38 2.155 -17.206 0.998 1.00 53.45 N ATOM 577 CA PHE A 38 3.418 -16.570 0.642 1.00 62.31 C ATOM 578 C PHE A 38 4.265 -17.493 -0.230 1.00 34.22 C ATOM 579 O PHE A 38 4.293 -18.706 -0.023 1.00 20.52 O ATOM 580 CB PHE A 38 4.194 -16.189 1.904 1.00 5.31 C ATOM 581 CG PHE A 38 4.924 -14.881 1.787 1.00 61.13 C ATOM 582 CD1 PHE A 38 4.232 -13.681 1.822 1.00 64.13 C ATOM 583 CD2 PHE A 38 6.302 -14.852 1.641 1.00 73.02 C ATOM 584 CE1 PHE A 38 4.901 -12.476 1.714 1.00 13.13 C ATOM 585 CE2 PHE A 38 6.975 -13.650 1.533 1.00 24.14 C ATOM 586 CZ PHE A 38 6.274 -12.461 1.569 1.00 40.31 C ATOM 0 H PHE A 38 2.058 -17.426 1.989 1.00 53.45 H new ATOM 0 HA PHE A 38 3.194 -15.667 0.074 1.00 62.31 H new ATOM 0 HB2 PHE A 38 3.502 -16.136 2.744 1.00 5.31 H new ATOM 0 HB3 PHE A 38 4.912 -16.977 2.132 1.00 5.31 H new ATOM 0 HD1 PHE A 38 3.158 -13.687 1.935 1.00 64.13 H new ATOM 0 HD2 PHE A 38 6.856 -15.779 1.611 1.00 73.02 H new ATOM 0 HE1 PHE A 38 4.350 -11.547 1.743 1.00 13.13 H new ATOM 0 HE2 PHE A 38 8.049 -13.641 1.420 1.00 24.14 H new ATOM 0 HZ PHE A 38 6.799 -11.521 1.484 1.00 40.31 H new ATOM 596 N ARG A 39 4.952 -16.909 -1.206 1.00 23.23 N ATOM 597 CA ARG A 39 5.798 -17.678 -2.110 1.00 61.35 C ATOM 598 C ARG A 39 6.908 -16.806 -2.690 1.00 23.42 C ATOM 599 O ARG A 39 6.753 -15.592 -2.823 1.00 23.42 O ATOM 600 CB ARG A 39 4.960 -18.275 -3.243 1.00 10.32 C ATOM 601 CG ARG A 39 4.933 -19.794 -3.245 1.00 61.43 C ATOM 602 CD ARG A 39 3.635 -20.328 -3.831 1.00 11.42 C ATOM 603 NE ARG A 39 3.833 -21.586 -4.544 1.00 74.44 N ATOM 604 CZ ARG A 39 3.930 -22.766 -3.941 1.00 11.30 C ATOM 605 NH1 ARG A 39 3.848 -22.847 -2.620 1.00 73.12 N ATOM 606 NH2 ARG A 39 4.109 -23.867 -4.659 1.00 63.01 N ATOM 0 H ARG A 39 4.939 -15.906 -1.391 1.00 23.23 H new ATOM 0 HA ARG A 39 6.255 -18.487 -1.540 1.00 61.35 H new ATOM 0 HB2 ARG A 39 3.939 -17.902 -3.164 1.00 10.32 H new ATOM 0 HB3 ARG A 39 5.354 -17.926 -4.198 1.00 10.32 H new ATOM 0 HG2 ARG A 39 5.777 -20.173 -3.822 1.00 61.43 H new ATOM 0 HG3 ARG A 39 5.052 -20.162 -2.226 1.00 61.43 H new ATOM 0 HD2 ARG A 39 2.910 -20.475 -3.031 1.00 11.42 H new ATOM 0 HD3 ARG A 39 3.213 -19.588 -4.511 1.00 11.42 H new ATOM 0 HE ARG A 39 3.901 -21.558 -5.561 1.00 74.44 H new ATOM 0 HH11 ARG A 39 3.710 -22.002 -2.065 1.00 73.12 H new ATOM 0 HH12 ARG A 39 3.923 -23.754 -2.159 1.00 73.12 H new ATOM 0 HH21 ARG A 39 4.172 -23.808 -5.675 1.00 63.01 H new ATOM 0 HH22 ARG A 39 4.183 -24.772 -4.195 1.00 63.01 H new ATOM 620 N VAL A 40 8.029 -17.434 -3.032 1.00 72.15 N ATOM 621 CA VAL A 40 9.165 -16.716 -3.598 1.00 30.32 C ATOM 622 C VAL A 40 9.643 -17.373 -4.888 1.00 21.01 C ATOM 623 O VAL A 40 9.742 -18.597 -4.974 1.00 2.42 O ATOM 624 CB VAL A 40 10.339 -16.650 -2.603 1.00 33.33 C ATOM 625 CG1 VAL A 40 11.473 -15.809 -3.169 1.00 74.30 C ATOM 626 CG2 VAL A 40 9.872 -16.098 -1.264 1.00 75.33 C ATOM 0 H VAL A 40 8.175 -18.438 -2.927 1.00 72.15 H new ATOM 0 HA VAL A 40 8.824 -15.704 -3.814 1.00 30.32 H new ATOM 0 HB VAL A 40 10.714 -17.661 -2.443 1.00 33.33 H new ATOM 0 HG11 VAL A 40 12.293 -15.774 -2.452 1.00 74.30 H new ATOM 0 HG12 VAL A 40 11.824 -16.252 -4.101 1.00 74.30 H new ATOM 0 HG13 VAL A 40 11.115 -14.797 -3.360 1.00 74.30 H new ATOM 0 HG21 VAL A 40 10.714 -16.058 -0.573 1.00 75.33 H new ATOM 0 HG22 VAL A 40 9.470 -15.095 -1.404 1.00 75.33 H new ATOM 0 HG23 VAL A 40 9.097 -16.745 -0.854 1.00 75.33 H new ATOM 636 N ALA A 41 9.939 -16.551 -5.889 1.00 70.15 N ATOM 637 CA ALA A 41 10.409 -17.052 -7.175 1.00 45.30 C ATOM 638 C ALA A 41 11.230 -15.996 -7.908 1.00 52.13 C ATOM 639 O ALA A 41 11.232 -14.825 -7.530 1.00 51.51 O ATOM 640 CB ALA A 41 9.233 -17.497 -8.031 1.00 12.13 C ATOM 0 H ALA A 41 9.862 -15.535 -5.834 1.00 70.15 H new ATOM 0 HA ALA A 41 11.053 -17.911 -6.989 1.00 45.30 H new ATOM 0 HB1 ALA A 41 9.600 -17.869 -8.988 1.00 12.13 H new ATOM 0 HB2 ALA A 41 8.689 -18.290 -7.518 1.00 12.13 H new ATOM 0 HB3 ALA A 41 8.566 -16.652 -8.201 1.00 12.13 H new ATOM 646 N SER A 42 11.926 -16.419 -8.959 1.00 2.53 N ATOM 647 CA SER A 42 12.755 -15.510 -9.742 1.00 54.34 C ATOM 648 C SER A 42 12.746 -15.902 -11.217 1.00 2.12 C ATOM 649 O SER A 42 12.463 -17.048 -11.565 1.00 61.42 O ATOM 650 CB SER A 42 14.189 -15.508 -9.212 1.00 5.33 C ATOM 651 OG SER A 42 15.073 -16.130 -10.128 1.00 60.50 O ATOM 0 H SER A 42 11.932 -17.385 -9.288 1.00 2.53 H new ATOM 0 HA SER A 42 12.340 -14.507 -9.647 1.00 54.34 H new ATOM 0 HB2 SER A 42 14.511 -14.483 -9.030 1.00 5.33 H new ATOM 0 HB3 SER A 42 14.227 -16.028 -8.255 1.00 5.33 H new ATOM 0 HG SER A 42 15.768 -15.493 -10.395 1.00 60.50 H new ATOM 657 N LYS A 43 13.059 -14.941 -12.080 1.00 33.22 N ATOM 658 CA LYS A 43 13.089 -15.183 -13.517 1.00 61.53 C ATOM 659 C LYS A 43 14.423 -15.793 -13.938 1.00 53.32 C ATOM 660 O LYS A 43 14.522 -16.427 -14.989 1.00 1.03 O ATOM 661 CB LYS A 43 12.849 -13.879 -14.280 1.00 51.14 C ATOM 662 CG LYS A 43 11.381 -13.511 -14.409 1.00 12.01 C ATOM 663 CD LYS A 43 11.193 -12.245 -15.229 1.00 32.35 C ATOM 664 CE LYS A 43 9.861 -11.577 -14.924 1.00 73.25 C ATOM 665 NZ LYS A 43 8.979 -11.527 -16.123 1.00 51.05 N ATOM 0 H LYS A 43 13.296 -13.987 -11.808 1.00 33.22 H new ATOM 0 HA LYS A 43 12.294 -15.889 -13.758 1.00 61.53 H new ATOM 0 HB2 LYS A 43 13.375 -13.070 -13.774 1.00 51.14 H new ATOM 0 HB3 LYS A 43 13.282 -13.966 -15.277 1.00 51.14 H new ATOM 0 HG2 LYS A 43 10.839 -14.333 -14.877 1.00 12.01 H new ATOM 0 HG3 LYS A 43 10.952 -13.370 -13.417 1.00 12.01 H new ATOM 0 HD2 LYS A 43 12.006 -11.550 -15.019 1.00 32.35 H new ATOM 0 HD3 LYS A 43 11.246 -12.486 -16.291 1.00 32.35 H new ATOM 0 HE2 LYS A 43 9.357 -12.120 -14.125 1.00 73.25 H new ATOM 0 HE3 LYS A 43 10.037 -10.565 -14.560 1.00 73.25 H new ATOM 0 HZ1 LYS A 43 8.081 -11.065 -15.874 1.00 51.05 H new ATOM 0 HZ2 LYS A 43 9.449 -10.987 -16.878 1.00 51.05 H new ATOM 0 HZ3 LYS A 43 8.790 -12.494 -16.455 1.00 51.05 H new ATOM 679 N ASP A 44 15.444 -15.597 -13.112 1.00 22.22 N ATOM 680 CA ASP A 44 16.771 -16.130 -13.397 1.00 44.13 C ATOM 681 C ASP A 44 16.803 -17.643 -13.203 1.00 50.33 C ATOM 682 O ASP A 44 16.746 -18.404 -14.170 1.00 2.45 O ATOM 683 CB ASP A 44 17.815 -15.466 -12.498 1.00 21.13 C ATOM 684 CG ASP A 44 18.277 -14.127 -13.038 1.00 2.02 C ATOM 685 OD1 ASP A 44 17.446 -13.198 -13.113 1.00 34.03 O ATOM 686 OD2 ASP A 44 19.471 -14.008 -13.385 1.00 13.43 O ATOM 0 H ASP A 44 15.379 -15.073 -12.239 1.00 22.22 H new ATOM 0 HA ASP A 44 17.007 -15.910 -14.438 1.00 44.13 H new ATOM 0 HB2 ASP A 44 17.396 -15.327 -11.501 1.00 21.13 H new ATOM 0 HB3 ASP A 44 18.674 -16.128 -12.394 1.00 21.13 H new ATOM 691 N ARG A 45 16.895 -18.072 -11.949 1.00 0.42 N ATOM 692 CA ARG A 45 16.937 -19.493 -11.628 1.00 73.35 C ATOM 693 C ARG A 45 15.793 -19.873 -10.692 1.00 61.45 C ATOM 694 O ARG A 45 15.444 -21.046 -10.567 1.00 21.43 O ATOM 695 CB ARG A 45 18.277 -19.854 -10.986 1.00 3.11 C ATOM 696 CG ARG A 45 18.904 -21.117 -11.553 1.00 44.11 C ATOM 697 CD ARG A 45 20.294 -21.354 -10.982 1.00 34.22 C ATOM 698 NE ARG A 45 21.263 -21.688 -12.022 1.00 4.44 N ATOM 699 CZ ARG A 45 22.578 -21.681 -11.830 1.00 11.21 C ATOM 700 NH1 ARG A 45 23.077 -21.360 -10.644 1.00 54.31 N ATOM 701 NH2 ARG A 45 23.396 -21.996 -12.826 1.00 24.14 N ATOM 0 H ARG A 45 16.942 -17.455 -11.138 1.00 0.42 H new ATOM 0 HA ARG A 45 16.825 -20.053 -12.557 1.00 73.35 H new ATOM 0 HB2 ARG A 45 18.970 -19.023 -11.120 1.00 3.11 H new ATOM 0 HB3 ARG A 45 18.134 -19.980 -9.913 1.00 3.11 H new ATOM 0 HG2 ARG A 45 18.267 -21.973 -11.329 1.00 44.11 H new ATOM 0 HG3 ARG A 45 18.964 -21.039 -12.639 1.00 44.11 H new ATOM 0 HD2 ARG A 45 20.625 -20.461 -10.451 1.00 34.22 H new ATOM 0 HD3 ARG A 45 20.253 -22.162 -10.252 1.00 34.22 H new ATOM 0 HE ARG A 45 20.912 -21.940 -12.946 1.00 4.44 H new ATOM 0 HH11 ARG A 45 22.451 -21.118 -9.876 1.00 54.31 H new ATOM 0 HH12 ARG A 45 24.087 -21.356 -10.500 1.00 54.31 H new ATOM 0 HH21 ARG A 45 23.016 -22.244 -13.739 1.00 24.14 H new ATOM 0 HH22 ARG A 45 24.405 -21.990 -12.678 1.00 24.14 H new ATOM 715 N GLY A 46 15.214 -18.872 -10.037 1.00 32.12 N ATOM 716 CA GLY A 46 14.117 -19.122 -9.120 1.00 53.13 C ATOM 717 C GLY A 46 14.581 -19.734 -7.814 1.00 33.42 C ATOM 718 O GLY A 46 13.766 -20.068 -6.953 1.00 3.43 O ATOM 0 H GLY A 46 15.485 -17.892 -10.125 1.00 32.12 H new ATOM 0 HA2 GLY A 46 13.599 -18.185 -8.915 1.00 53.13 H new ATOM 0 HA3 GLY A 46 13.396 -19.788 -9.594 1.00 53.13 H new ATOM 722 N ASP A 47 15.892 -19.885 -7.666 1.00 3.13 N ATOM 723 CA ASP A 47 16.464 -20.462 -6.455 1.00 33.53 C ATOM 724 C ASP A 47 17.677 -19.662 -5.991 1.00 14.22 C ATOM 725 O ASP A 47 18.808 -20.148 -6.032 1.00 35.14 O ATOM 726 CB ASP A 47 16.861 -21.919 -6.697 1.00 62.34 C ATOM 727 CG ASP A 47 15.660 -22.820 -6.908 1.00 51.21 C ATOM 728 OD1 ASP A 47 15.094 -22.804 -8.021 1.00 51.34 O ATOM 729 OD2 ASP A 47 15.286 -23.541 -5.960 1.00 63.30 O ATOM 0 H ASP A 47 16.579 -19.616 -8.370 1.00 3.13 H new ATOM 0 HA ASP A 47 15.706 -20.425 -5.672 1.00 33.53 H new ATOM 0 HB2 ASP A 47 17.511 -21.975 -7.570 1.00 62.34 H new ATOM 0 HB3 ASP A 47 17.438 -22.281 -5.846 1.00 62.34 H new ATOM 734 N LEU A 48 17.434 -18.432 -5.551 1.00 41.02 N ATOM 735 CA LEU A 48 18.507 -17.562 -5.080 1.00 74.42 C ATOM 736 C LEU A 48 18.464 -17.418 -3.562 1.00 72.14 C ATOM 737 O LEU A 48 19.494 -17.496 -2.891 1.00 73.32 O ATOM 738 CB LEU A 48 18.400 -16.186 -5.738 1.00 55.41 C ATOM 739 CG LEU A 48 18.379 -16.172 -7.267 1.00 12.00 C ATOM 740 CD1 LEU A 48 17.210 -15.344 -7.778 1.00 33.24 C ATOM 741 CD2 LEU A 48 19.694 -15.635 -7.813 1.00 73.24 C ATOM 0 H LEU A 48 16.504 -18.015 -5.510 1.00 41.02 H new ATOM 0 HA LEU A 48 19.458 -18.017 -5.356 1.00 74.42 H new ATOM 0 HB2 LEU A 48 17.492 -15.703 -5.378 1.00 55.41 H new ATOM 0 HB3 LEU A 48 19.239 -15.578 -5.401 1.00 55.41 H new ATOM 0 HG LEU A 48 18.253 -17.196 -7.619 1.00 12.00 H new ATOM 0 HD11 LEU A 48 17.212 -15.346 -8.868 1.00 33.24 H new ATOM 0 HD12 LEU A 48 16.275 -15.772 -7.416 1.00 33.24 H new ATOM 0 HD13 LEU A 48 17.304 -14.320 -7.417 1.00 33.24 H new ATOM 0 HD21 LEU A 48 19.661 -15.632 -8.903 1.00 73.24 H new ATOM 0 HD22 LEU A 48 19.850 -14.618 -7.452 1.00 73.24 H new ATOM 0 HD23 LEU A 48 20.514 -16.269 -7.476 1.00 73.24 H new ATOM 753 N LEU A 49 17.266 -17.209 -3.027 1.00 22.22 N ATOM 754 CA LEU A 49 17.088 -17.056 -1.587 1.00 21.40 C ATOM 755 C LEU A 49 15.702 -17.526 -1.157 1.00 11.31 C ATOM 756 O LEU A 49 14.870 -17.881 -1.991 1.00 44.15 O ATOM 757 CB LEU A 49 17.294 -15.596 -1.180 1.00 33.30 C ATOM 758 CG LEU A 49 18.698 -15.030 -1.396 1.00 73.55 C ATOM 759 CD1 LEU A 49 18.830 -14.451 -2.796 1.00 54.03 C ATOM 760 CD2 LEU A 49 19.015 -13.974 -0.348 1.00 34.21 C ATOM 0 H LEU A 49 16.404 -17.142 -3.568 1.00 22.22 H new ATOM 0 HA LEU A 49 17.833 -17.674 -1.086 1.00 21.40 H new ATOM 0 HB2 LEU A 49 16.587 -14.981 -1.737 1.00 33.30 H new ATOM 0 HB3 LEU A 49 17.042 -15.495 -0.124 1.00 33.30 H new ATOM 0 HG LEU A 49 19.417 -15.843 -1.292 1.00 73.55 H new ATOM 0 HD11 LEU A 49 19.836 -14.053 -2.932 1.00 54.03 H new ATOM 0 HD12 LEU A 49 18.647 -15.234 -3.532 1.00 54.03 H new ATOM 0 HD13 LEU A 49 18.102 -13.651 -2.929 1.00 54.03 H new ATOM 0 HD21 LEU A 49 20.018 -13.583 -0.518 1.00 34.21 H new ATOM 0 HD22 LEU A 49 18.292 -13.162 -0.420 1.00 34.21 H new ATOM 0 HD23 LEU A 49 18.963 -14.420 0.645 1.00 34.21 H new ATOM 772 N GLU A 50 15.461 -17.522 0.150 1.00 14.14 N ATOM 773 CA GLU A 50 14.174 -17.946 0.690 1.00 22.12 C ATOM 774 C GLU A 50 13.848 -17.191 1.975 1.00 12.14 C ATOM 775 O GLU A 50 14.744 -16.726 2.680 1.00 33.34 O ATOM 776 CB GLU A 50 14.180 -19.453 0.958 1.00 3.54 C ATOM 777 CG GLU A 50 13.296 -20.243 0.009 1.00 63.42 C ATOM 778 CD GLU A 50 13.217 -21.713 0.373 1.00 31.24 C ATOM 779 OE1 GLU A 50 13.867 -22.116 1.360 1.00 33.24 O ATOM 780 OE2 GLU A 50 12.504 -22.460 -0.329 1.00 70.31 O ATOM 0 H GLU A 50 16.139 -17.230 0.854 1.00 14.14 H new ATOM 0 HA GLU A 50 13.406 -17.719 -0.049 1.00 22.12 H new ATOM 0 HB2 GLU A 50 15.202 -19.823 0.882 1.00 3.54 H new ATOM 0 HB3 GLU A 50 13.852 -19.633 1.982 1.00 3.54 H new ATOM 0 HG2 GLU A 50 12.293 -19.817 0.013 1.00 63.42 H new ATOM 0 HG3 GLU A 50 13.680 -20.144 -1.006 1.00 63.42 H new ATOM 787 N VAL A 51 12.558 -17.072 2.274 1.00 52.14 N ATOM 788 CA VAL A 51 12.112 -16.374 3.473 1.00 13.05 C ATOM 789 C VAL A 51 11.636 -17.358 4.537 1.00 41.34 C ATOM 790 O VAL A 51 10.980 -18.352 4.228 1.00 42.41 O ATOM 791 CB VAL A 51 10.973 -15.386 3.158 1.00 70.24 C ATOM 792 CG1 VAL A 51 9.902 -16.058 2.312 1.00 61.30 C ATOM 793 CG2 VAL A 51 10.378 -14.831 4.443 1.00 43.42 C ATOM 0 H VAL A 51 11.803 -17.450 1.701 1.00 52.14 H new ATOM 0 HA VAL A 51 12.970 -15.819 3.852 1.00 13.05 H new ATOM 0 HB VAL A 51 11.385 -14.554 2.587 1.00 70.24 H new ATOM 0 HG11 VAL A 51 9.106 -15.345 2.099 1.00 61.30 H new ATOM 0 HG12 VAL A 51 10.341 -16.402 1.375 1.00 61.30 H new ATOM 0 HG13 VAL A 51 9.491 -16.910 2.854 1.00 61.30 H new ATOM 0 HG21 VAL A 51 9.575 -14.135 4.201 1.00 43.42 H new ATOM 0 HG22 VAL A 51 9.980 -15.649 5.043 1.00 43.42 H new ATOM 0 HG23 VAL A 51 11.152 -14.310 5.007 1.00 43.42 H new ATOM 803 N ASN A 52 11.971 -17.073 5.791 1.00 44.02 N ATOM 804 CA ASN A 52 11.578 -17.933 6.901 1.00 3.01 C ATOM 805 C ASN A 52 10.493 -17.270 7.745 1.00 64.53 C ATOM 806 O ASN A 52 10.722 -16.231 8.365 1.00 30.45 O ATOM 807 CB ASN A 52 12.791 -18.259 7.775 1.00 62.42 C ATOM 808 CG ASN A 52 12.440 -19.172 8.934 1.00 12.42 C ATOM 809 OD1 ASN A 52 11.313 -19.657 9.037 1.00 63.51 O ATOM 810 ND2 ASN A 52 13.406 -19.408 9.814 1.00 34.24 N ATOM 0 H ASN A 52 12.514 -16.253 6.064 1.00 44.02 H new ATOM 0 HA ASN A 52 11.177 -18.858 6.487 1.00 3.01 H new ATOM 0 HB2 ASN A 52 13.559 -18.732 7.163 1.00 62.42 H new ATOM 0 HB3 ASN A 52 13.216 -17.333 8.162 1.00 62.42 H new ATOM 0 HD21 ASN A 52 13.229 -20.013 10.616 1.00 34.24 H new ATOM 0 HD22 ASN A 52 14.325 -18.984 9.688 1.00 34.24 H new ATOM 817 N LEU A 53 9.312 -17.878 7.763 1.00 24.51 N ATOM 818 CA LEU A 53 8.191 -17.349 8.531 1.00 10.31 C ATOM 819 C LEU A 53 8.518 -17.316 10.021 1.00 43.34 C ATOM 820 O LEU A 53 7.844 -16.641 10.799 1.00 61.45 O ATOM 821 CB LEU A 53 6.939 -18.194 8.291 1.00 14.52 C ATOM 822 CG LEU A 53 6.674 -18.605 6.842 1.00 13.25 C ATOM 823 CD1 LEU A 53 6.920 -20.094 6.657 1.00 41.12 C ATOM 824 CD2 LEU A 53 5.252 -18.243 6.437 1.00 45.34 C ATOM 0 H LEU A 53 9.106 -18.738 7.254 1.00 24.51 H new ATOM 0 HA LEU A 53 8.003 -16.329 8.197 1.00 10.31 H new ATOM 0 HB2 LEU A 53 7.013 -19.098 8.896 1.00 14.52 H new ATOM 0 HB3 LEU A 53 6.075 -17.638 8.654 1.00 14.52 H new ATOM 0 HG LEU A 53 7.364 -18.061 6.197 1.00 13.25 H new ATOM 0 HD11 LEU A 53 6.727 -20.369 5.620 1.00 41.12 H new ATOM 0 HD12 LEU A 53 7.955 -20.325 6.907 1.00 41.12 H new ATOM 0 HD13 LEU A 53 6.255 -20.657 7.312 1.00 41.12 H new ATOM 0 HD21 LEU A 53 5.081 -18.543 5.403 1.00 45.34 H new ATOM 0 HD22 LEU A 53 4.546 -18.760 7.086 1.00 45.34 H new ATOM 0 HD23 LEU A 53 5.110 -17.166 6.531 1.00 45.34 H new ATOM 836 N GLN A 54 9.558 -18.046 10.409 1.00 63.51 N ATOM 837 CA GLN A 54 9.976 -18.099 11.805 1.00 34.01 C ATOM 838 C GLN A 54 10.152 -16.695 12.374 1.00 55.11 C ATOM 839 O GLN A 54 9.502 -16.325 13.351 1.00 53.34 O ATOM 840 CB GLN A 54 11.282 -18.884 11.940 1.00 54.02 C ATOM 841 CG GLN A 54 11.613 -19.273 13.371 1.00 34.35 C ATOM 842 CD GLN A 54 12.077 -20.711 13.493 1.00 74.42 C ATOM 843 OE1 GLN A 54 11.274 -21.643 13.423 1.00 1.33 O ATOM 844 NE2 GLN A 54 13.378 -20.900 13.675 1.00 22.42 N ATOM 0 H GLN A 54 10.127 -18.609 9.777 1.00 63.51 H new ATOM 0 HA GLN A 54 9.196 -18.606 12.372 1.00 34.01 H new ATOM 0 HB2 GLN A 54 11.218 -19.787 11.333 1.00 54.02 H new ATOM 0 HB3 GLN A 54 12.099 -18.286 11.537 1.00 54.02 H new ATOM 0 HG2 GLN A 54 12.390 -18.611 13.753 1.00 34.35 H new ATOM 0 HG3 GLN A 54 10.733 -19.125 13.996 1.00 34.35 H new ATOM 0 HE21 GLN A 54 14.007 -20.099 13.727 1.00 22.42 H new ATOM 0 HE22 GLN A 54 13.749 -21.846 13.763 1.00 22.42 H new ATOM 853 N ASN A 55 11.035 -15.918 11.756 1.00 40.22 N ATOM 854 CA ASN A 55 11.297 -14.554 12.202 1.00 61.15 C ATOM 855 C ASN A 55 11.178 -13.570 11.041 1.00 22.35 C ATOM 856 O ASN A 55 11.645 -12.435 11.126 1.00 20.30 O ATOM 857 CB ASN A 55 12.691 -14.458 12.825 1.00 31.33 C ATOM 858 CG ASN A 55 12.899 -13.159 13.579 1.00 32.14 C ATOM 859 OD1 ASN A 55 13.721 -12.329 13.193 1.00 43.33 O ATOM 860 ND2 ASN A 55 12.152 -12.978 14.662 1.00 11.24 N ATOM 0 H ASN A 55 11.581 -16.209 10.945 1.00 40.22 H new ATOM 0 HA ASN A 55 10.552 -14.294 12.954 1.00 61.15 H new ATOM 0 HB2 ASN A 55 12.841 -15.297 13.504 1.00 31.33 H new ATOM 0 HB3 ASN A 55 13.443 -14.544 12.041 1.00 31.33 H new ATOM 0 HD21 ASN A 55 12.248 -12.123 15.211 1.00 11.24 H new ATOM 0 HD22 ASN A 55 11.483 -13.694 14.945 1.00 11.24 H new ATOM 867 N GLY A 56 10.549 -14.015 9.958 1.00 52.33 N ATOM 868 CA GLY A 56 10.379 -13.161 8.796 1.00 22.42 C ATOM 869 C GLY A 56 11.700 -12.656 8.251 1.00 51.35 C ATOM 870 O GLY A 56 11.746 -11.629 7.572 1.00 23.12 O ATOM 0 H GLY A 56 10.154 -14.951 9.864 1.00 52.33 H new ATOM 0 HA2 GLY A 56 9.855 -13.714 8.016 1.00 22.42 H new ATOM 0 HA3 GLY A 56 9.750 -12.311 9.062 1.00 22.42 H new ATOM 874 N ILE A 57 12.776 -13.376 8.548 1.00 71.31 N ATOM 875 CA ILE A 57 14.103 -12.994 8.083 1.00 43.23 C ATOM 876 C ILE A 57 14.441 -13.677 6.762 1.00 53.23 C ATOM 877 O ILE A 57 13.969 -14.780 6.482 1.00 51.31 O ATOM 878 CB ILE A 57 15.186 -13.344 9.120 1.00 21.53 C ATOM 879 CG1 ILE A 57 16.523 -12.713 8.727 1.00 24.41 C ATOM 880 CG2 ILE A 57 15.325 -14.854 9.252 1.00 52.23 C ATOM 881 CD1 ILE A 57 16.454 -11.213 8.545 1.00 35.44 C ATOM 0 H ILE A 57 12.755 -14.228 9.109 1.00 71.31 H new ATOM 0 HA ILE A 57 14.087 -11.914 7.937 1.00 43.23 H new ATOM 0 HB ILE A 57 14.886 -12.940 10.087 1.00 21.53 H new ATOM 0 HG12 ILE A 57 17.263 -12.944 9.493 1.00 24.41 H new ATOM 0 HG13 ILE A 57 16.871 -13.168 7.800 1.00 24.41 H new ATOM 0 HG21 ILE A 57 16.094 -15.086 9.989 1.00 52.23 H new ATOM 0 HG22 ILE A 57 14.375 -15.280 9.574 1.00 52.23 H new ATOM 0 HG23 ILE A 57 15.606 -15.279 8.288 1.00 52.23 H new ATOM 0 HD11 ILE A 57 17.438 -10.835 8.267 1.00 35.44 H new ATOM 0 HD12 ILE A 57 15.738 -10.974 7.758 1.00 35.44 H new ATOM 0 HD13 ILE A 57 16.136 -10.748 9.478 1.00 35.44 H new ATOM 893 N LEU A 58 15.261 -13.016 5.953 1.00 5.51 N ATOM 894 CA LEU A 58 15.665 -13.559 4.661 1.00 72.31 C ATOM 895 C LEU A 58 17.056 -14.179 4.741 1.00 4.22 C ATOM 896 O LEU A 58 18.030 -13.504 5.077 1.00 54.41 O ATOM 897 CB LEU A 58 15.643 -12.463 3.595 1.00 41.43 C ATOM 898 CG LEU A 58 15.084 -12.865 2.229 1.00 5.14 C ATOM 899 CD1 LEU A 58 15.906 -13.995 1.629 1.00 75.34 C ATOM 900 CD2 LEU A 58 13.623 -13.271 2.350 1.00 53.43 C ATOM 0 H LEU A 58 15.660 -12.102 6.169 1.00 5.51 H new ATOM 0 HA LEU A 58 14.955 -14.339 4.385 1.00 72.31 H new ATOM 0 HB2 LEU A 58 15.055 -11.627 3.974 1.00 41.43 H new ATOM 0 HB3 LEU A 58 16.661 -12.099 3.456 1.00 41.43 H new ATOM 0 HG LEU A 58 15.147 -12.004 1.563 1.00 5.14 H new ATOM 0 HD11 LEU A 58 15.494 -14.268 0.657 1.00 75.34 H new ATOM 0 HD12 LEU A 58 16.939 -13.668 1.507 1.00 75.34 H new ATOM 0 HD13 LEU A 58 15.875 -14.859 2.292 1.00 75.34 H new ATOM 0 HD21 LEU A 58 13.242 -13.554 1.369 1.00 53.43 H new ATOM 0 HD22 LEU A 58 13.536 -14.118 3.031 1.00 53.43 H new ATOM 0 HD23 LEU A 58 13.043 -12.433 2.737 1.00 53.43 H new ATOM 912 N PHE A 59 17.144 -15.468 4.429 1.00 54.41 N ATOM 913 CA PHE A 59 18.416 -16.178 4.464 1.00 24.44 C ATOM 914 C PHE A 59 18.814 -16.651 3.069 1.00 23.32 C ATOM 915 O PHE A 59 17.964 -16.836 2.198 1.00 3.10 O ATOM 916 CB PHE A 59 18.331 -17.374 5.415 1.00 33.03 C ATOM 917 CG PHE A 59 17.534 -18.522 4.865 1.00 52.03 C ATOM 918 CD1 PHE A 59 16.149 -18.471 4.836 1.00 25.13 C ATOM 919 CD2 PHE A 59 18.169 -19.652 4.376 1.00 61.21 C ATOM 920 CE1 PHE A 59 15.413 -19.526 4.330 1.00 41.41 C ATOM 921 CE2 PHE A 59 17.438 -20.709 3.868 1.00 61.40 C ATOM 922 CZ PHE A 59 16.058 -20.647 3.846 1.00 5.31 C ATOM 0 H PHE A 59 16.349 -16.042 4.149 1.00 54.41 H new ATOM 0 HA PHE A 59 19.178 -15.488 4.826 1.00 24.44 H new ATOM 0 HB2 PHE A 59 19.340 -17.719 5.643 1.00 33.03 H new ATOM 0 HB3 PHE A 59 17.885 -17.050 6.355 1.00 33.03 H new ATOM 0 HD1 PHE A 59 15.639 -17.597 5.213 1.00 25.13 H new ATOM 0 HD2 PHE A 59 19.247 -19.707 4.392 1.00 61.21 H new ATOM 0 HE1 PHE A 59 14.334 -19.474 4.313 1.00 41.41 H new ATOM 0 HE2 PHE A 59 17.945 -21.583 3.488 1.00 61.40 H new ATOM 0 HZ PHE A 59 15.485 -21.473 3.451 1.00 5.31 H new ATOM 932 N VAL A 60 20.113 -16.845 2.865 1.00 44.13 N ATOM 933 CA VAL A 60 20.625 -17.297 1.576 1.00 5.35 C ATOM 934 C VAL A 60 20.129 -18.700 1.249 1.00 33.43 C ATOM 935 O VAL A 60 20.003 -19.547 2.133 1.00 1.10 O ATOM 936 CB VAL A 60 22.165 -17.290 1.551 1.00 25.11 C ATOM 937 CG1 VAL A 60 22.680 -17.858 0.237 1.00 25.34 C ATOM 938 CG2 VAL A 60 22.696 -15.882 1.777 1.00 74.22 C ATOM 0 H VAL A 60 20.830 -16.696 3.575 1.00 44.13 H new ATOM 0 HA VAL A 60 20.253 -16.600 0.825 1.00 5.35 H new ATOM 0 HB VAL A 60 22.527 -17.924 2.361 1.00 25.11 H new ATOM 0 HG11 VAL A 60 23.770 -17.845 0.237 1.00 25.34 H new ATOM 0 HG12 VAL A 60 22.329 -18.884 0.122 1.00 25.34 H new ATOM 0 HG13 VAL A 60 22.310 -17.253 -0.591 1.00 25.34 H new ATOM 0 HG21 VAL A 60 23.786 -15.896 1.756 1.00 74.22 H new ATOM 0 HG22 VAL A 60 22.327 -15.223 0.991 1.00 74.22 H new ATOM 0 HG23 VAL A 60 22.357 -15.516 2.746 1.00 74.22 H new ATOM 948 N ASN A 61 19.848 -18.940 -0.027 1.00 72.25 N ATOM 949 CA ASN A 61 19.364 -20.242 -0.472 1.00 65.32 C ATOM 950 C ASN A 61 20.017 -20.643 -1.792 1.00 53.10 C ATOM 951 O ASN A 61 19.478 -21.459 -2.540 1.00 23.23 O ATOM 952 CB ASN A 61 17.843 -20.218 -0.629 1.00 73.21 C ATOM 953 CG ASN A 61 17.249 -21.610 -0.726 1.00 64.52 C ATOM 954 OD1 ASN A 61 16.768 -22.020 -1.783 1.00 15.44 O ATOM 955 ND2 ASN A 61 17.282 -22.346 0.379 1.00 12.32 N ATOM 0 H ASN A 61 19.947 -18.250 -0.772 1.00 72.25 H new ATOM 0 HA ASN A 61 19.632 -20.979 0.285 1.00 65.32 H new ATOM 0 HB2 ASN A 61 17.401 -19.696 0.220 1.00 73.21 H new ATOM 0 HB3 ASN A 61 17.582 -19.652 -1.523 1.00 73.21 H new ATOM 0 HD21 ASN A 61 16.899 -23.291 0.374 1.00 12.32 H new ATOM 0 HD22 ASN A 61 17.690 -21.966 1.233 1.00 12.32 H new ATOM 962 N SER A 62 21.180 -20.063 -2.071 1.00 53.11 N ATOM 963 CA SER A 62 21.904 -20.357 -3.302 1.00 4.31 C ATOM 964 C SER A 62 23.371 -19.956 -3.177 1.00 63.33 C ATOM 965 O SER A 62 23.849 -19.637 -2.088 1.00 54.13 O ATOM 966 CB SER A 62 21.263 -19.626 -4.483 1.00 41.21 C ATOM 967 OG SER A 62 21.475 -20.330 -5.694 1.00 45.25 O ATOM 0 H SER A 62 21.641 -19.387 -1.462 1.00 53.11 H new ATOM 0 HA SER A 62 21.852 -21.431 -3.478 1.00 4.31 H new ATOM 0 HB2 SER A 62 20.193 -19.512 -4.307 1.00 41.21 H new ATOM 0 HB3 SER A 62 21.681 -18.623 -4.564 1.00 41.21 H new ATOM 0 HG SER A 62 20.619 -20.452 -6.156 1.00 45.25 H new ATOM 973 N ARG A 63 24.081 -19.976 -4.301 1.00 21.33 N ATOM 974 CA ARG A 63 25.494 -19.617 -4.318 1.00 51.14 C ATOM 975 C ARG A 63 25.669 -18.102 -4.372 1.00 31.03 C ATOM 976 O ARG A 63 25.217 -17.448 -5.312 1.00 65.03 O ATOM 977 CB ARG A 63 26.192 -20.264 -5.516 1.00 73.10 C ATOM 978 CG ARG A 63 25.815 -21.721 -5.726 1.00 74.42 C ATOM 979 CD ARG A 63 24.905 -21.893 -6.933 1.00 22.12 C ATOM 980 NE ARG A 63 25.046 -23.213 -7.541 1.00 20.41 N ATOM 981 CZ ARG A 63 24.592 -24.331 -6.985 1.00 0.03 C ATOM 982 NH1 ARG A 63 23.971 -24.288 -5.814 1.00 50.11 N ATOM 983 NH2 ARG A 63 24.758 -25.495 -7.600 1.00 4.21 N ATOM 0 H ARG A 63 23.701 -20.237 -5.211 1.00 21.33 H new ATOM 0 HA ARG A 63 25.948 -19.986 -3.398 1.00 51.14 H new ATOM 0 HB2 ARG A 63 25.947 -19.701 -6.416 1.00 73.10 H new ATOM 0 HB3 ARG A 63 27.271 -20.193 -5.379 1.00 73.10 H new ATOM 0 HG2 ARG A 63 26.718 -22.316 -5.862 1.00 74.42 H new ATOM 0 HG3 ARG A 63 25.315 -22.101 -4.835 1.00 74.42 H new ATOM 0 HD2 ARG A 63 23.869 -21.742 -6.630 1.00 22.12 H new ATOM 0 HD3 ARG A 63 25.136 -21.127 -7.673 1.00 22.12 H new ATOM 0 HE ARG A 63 25.519 -23.281 -8.442 1.00 20.41 H new ATOM 0 HH11 ARG A 63 23.841 -23.395 -5.338 1.00 50.11 H new ATOM 0 HH12 ARG A 63 23.623 -25.148 -5.389 1.00 50.11 H new ATOM 0 HH21 ARG A 63 25.235 -25.532 -8.501 1.00 4.21 H new ATOM 0 HH22 ARG A 63 24.409 -26.352 -7.172 1.00 4.21 H new ATOM 997 N ILE A 64 26.326 -17.551 -3.357 1.00 20.55 N ATOM 998 CA ILE A 64 26.561 -16.115 -3.289 1.00 12.54 C ATOM 999 C ILE A 64 28.029 -15.785 -3.534 1.00 25.35 C ATOM 1000 O ILE A 64 28.378 -14.644 -3.837 1.00 62.32 O ATOM 1001 CB ILE A 64 26.138 -15.539 -1.924 1.00 50.11 C ATOM 1002 CG1 ILE A 64 24.691 -15.923 -1.610 1.00 74.33 C ATOM 1003 CG2 ILE A 64 26.304 -14.027 -1.913 1.00 5.33 C ATOM 1004 CD1 ILE A 64 23.697 -15.423 -2.635 1.00 72.53 C ATOM 0 H ILE A 64 26.705 -18.078 -2.570 1.00 20.55 H new ATOM 0 HA ILE A 64 25.954 -15.659 -4.071 1.00 12.54 H new ATOM 0 HB ILE A 64 26.782 -15.962 -1.153 1.00 50.11 H new ATOM 0 HG12 ILE A 64 24.618 -17.009 -1.544 1.00 74.33 H new ATOM 0 HG13 ILE A 64 24.422 -15.526 -0.631 1.00 74.33 H new ATOM 0 HG21 ILE A 64 26.001 -13.635 -0.942 1.00 5.33 H new ATOM 0 HG22 ILE A 64 27.348 -13.774 -2.097 1.00 5.33 H new ATOM 0 HG23 ILE A 64 25.682 -13.587 -2.692 1.00 5.33 H new ATOM 0 HD11 ILE A 64 22.692 -15.732 -2.348 1.00 72.53 H new ATOM 0 HD12 ILE A 64 23.742 -14.335 -2.685 1.00 72.53 H new ATOM 0 HD13 ILE A 64 23.940 -15.841 -3.612 1.00 72.53 H new ATOM 1016 N ASP A 65 28.886 -16.792 -3.401 1.00 73.31 N ATOM 1017 CA ASP A 65 30.317 -16.611 -3.611 1.00 64.20 C ATOM 1018 C ASP A 65 30.586 -15.871 -4.918 1.00 33.03 C ATOM 1019 O ASP A 65 29.936 -16.126 -5.932 1.00 22.51 O ATOM 1020 CB ASP A 65 31.028 -17.965 -3.622 1.00 62.43 C ATOM 1021 CG ASP A 65 30.708 -18.798 -2.396 1.00 53.34 C ATOM 1022 OD1 ASP A 65 31.308 -18.541 -1.331 1.00 73.53 O ATOM 1023 OD2 ASP A 65 29.856 -19.705 -2.502 1.00 2.22 O ATOM 0 H ASP A 65 28.614 -17.742 -3.149 1.00 73.31 H new ATOM 0 HA ASP A 65 30.706 -16.011 -2.788 1.00 64.20 H new ATOM 0 HB2 ASP A 65 30.740 -18.516 -4.517 1.00 62.43 H new ATOM 0 HB3 ASP A 65 32.105 -17.806 -3.679 1.00 62.43 H new ATOM 1028 N ARG A 66 31.546 -14.953 -4.885 1.00 53.52 N ATOM 1029 CA ARG A 66 31.898 -14.174 -6.066 1.00 41.42 C ATOM 1030 C ARG A 66 32.132 -15.084 -7.268 1.00 63.20 C ATOM 1031 O ARG A 66 31.868 -14.703 -8.408 1.00 5.12 O ATOM 1032 CB ARG A 66 33.149 -13.336 -5.796 1.00 42.21 C ATOM 1033 CG ARG A 66 34.249 -14.098 -5.075 1.00 32.30 C ATOM 1034 CD ARG A 66 35.598 -13.900 -5.748 1.00 72.13 C ATOM 1035 NE ARG A 66 36.676 -14.562 -5.019 1.00 1.12 N ATOM 1036 CZ ARG A 66 37.961 -14.431 -5.329 1.00 22.52 C ATOM 1037 NH1 ARG A 66 38.326 -13.667 -6.349 1.00 22.40 N ATOM 1038 NH2 ARG A 66 38.884 -15.066 -4.617 1.00 42.22 N ATOM 0 H ARG A 66 32.094 -14.730 -4.054 1.00 53.52 H new ATOM 0 HA ARG A 66 31.065 -13.509 -6.293 1.00 41.42 H new ATOM 0 HB2 ARG A 66 33.538 -12.964 -6.744 1.00 42.21 H new ATOM 0 HB3 ARG A 66 32.872 -12.466 -5.201 1.00 42.21 H new ATOM 0 HG2 ARG A 66 34.306 -13.764 -4.039 1.00 32.30 H new ATOM 0 HG3 ARG A 66 34.004 -15.160 -5.054 1.00 32.30 H new ATOM 0 HD2 ARG A 66 35.556 -14.289 -6.765 1.00 72.13 H new ATOM 0 HD3 ARG A 66 35.813 -12.834 -5.823 1.00 72.13 H new ATOM 0 HE ARG A 66 36.429 -15.158 -4.229 1.00 1.12 H new ATOM 0 HH11 ARG A 66 37.619 -13.178 -6.898 1.00 22.40 H new ATOM 0 HH12 ARG A 66 39.314 -13.568 -6.585 1.00 22.40 H new ATOM 0 HH21 ARG A 66 38.607 -15.655 -3.832 1.00 42.22 H new ATOM 0 HH22 ARG A 66 39.871 -14.965 -4.855 1.00 42.22 H new ATOM 1052 N GLU A 67 32.630 -16.288 -7.004 1.00 33.43 N ATOM 1053 CA GLU A 67 32.901 -17.252 -8.064 1.00 54.12 C ATOM 1054 C GLU A 67 31.606 -17.696 -8.739 1.00 61.12 C ATOM 1055 O GLU A 67 31.541 -17.812 -9.962 1.00 54.45 O ATOM 1056 CB GLU A 67 33.639 -18.468 -7.502 1.00 21.40 C ATOM 1057 CG GLU A 67 34.785 -18.944 -8.380 1.00 33.05 C ATOM 1058 CD GLU A 67 36.013 -18.062 -8.264 1.00 70.40 C ATOM 1059 OE1 GLU A 67 36.226 -17.482 -7.179 1.00 22.44 O ATOM 1060 OE2 GLU A 67 36.760 -17.952 -9.258 1.00 64.01 O ATOM 0 H GLU A 67 32.854 -16.619 -6.066 1.00 33.43 H new ATOM 0 HA GLU A 67 33.531 -16.767 -8.809 1.00 54.12 H new ATOM 0 HB2 GLU A 67 34.028 -18.222 -6.514 1.00 21.40 H new ATOM 0 HB3 GLU A 67 32.929 -19.285 -7.371 1.00 21.40 H new ATOM 0 HG2 GLU A 67 35.048 -19.965 -8.105 1.00 33.05 H new ATOM 0 HG3 GLU A 67 34.456 -18.968 -9.419 1.00 33.05 H new ATOM 1067 N GLU A 68 30.579 -17.944 -7.932 1.00 25.21 N ATOM 1068 CA GLU A 68 29.288 -18.377 -8.451 1.00 74.32 C ATOM 1069 C GLU A 68 28.462 -17.183 -8.921 1.00 70.02 C ATOM 1070 O GLU A 68 28.039 -17.122 -10.076 1.00 70.24 O ATOM 1071 CB GLU A 68 28.517 -19.154 -7.381 1.00 64.34 C ATOM 1072 CG GLU A 68 28.676 -20.661 -7.491 1.00 63.42 C ATOM 1073 CD GLU A 68 29.525 -21.241 -6.376 1.00 71.33 C ATOM 1074 OE1 GLU A 68 30.744 -20.972 -6.356 1.00 50.33 O ATOM 1075 OE2 GLU A 68 28.969 -21.965 -5.523 1.00 40.15 O ATOM 0 H GLU A 68 30.617 -17.852 -6.917 1.00 25.21 H new ATOM 0 HA GLU A 68 29.470 -19.030 -9.304 1.00 74.32 H new ATOM 0 HB2 GLU A 68 28.855 -18.832 -6.396 1.00 64.34 H new ATOM 0 HB3 GLU A 68 27.459 -18.902 -7.453 1.00 64.34 H new ATOM 0 HG2 GLU A 68 27.692 -21.129 -7.474 1.00 63.42 H new ATOM 0 HG3 GLU A 68 29.128 -20.906 -8.452 1.00 63.42 H new ATOM 1082 N LEU A 69 28.236 -16.236 -8.018 1.00 10.41 N ATOM 1083 CA LEU A 69 27.461 -15.042 -8.338 1.00 75.24 C ATOM 1084 C LEU A 69 27.948 -14.409 -9.637 1.00 42.53 C ATOM 1085 O LEU A 69 27.280 -14.487 -10.668 1.00 75.03 O ATOM 1086 CB LEU A 69 27.553 -14.028 -7.197 1.00 32.22 C ATOM 1087 CG LEU A 69 26.228 -13.435 -6.717 1.00 35.41 C ATOM 1088 CD1 LEU A 69 25.604 -12.572 -7.803 1.00 64.41 C ATOM 1089 CD2 LEU A 69 25.270 -14.541 -6.296 1.00 51.25 C ATOM 0 H LEU A 69 28.578 -16.271 -7.058 1.00 10.41 H new ATOM 0 HA LEU A 69 26.420 -15.339 -8.468 1.00 75.24 H new ATOM 0 HB2 LEU A 69 28.041 -14.509 -6.349 1.00 32.22 H new ATOM 0 HB3 LEU A 69 28.200 -13.210 -7.516 1.00 32.22 H new ATOM 0 HG LEU A 69 26.427 -12.804 -5.851 1.00 35.41 H new ATOM 0 HD11 LEU A 69 24.662 -12.159 -7.443 1.00 64.41 H new ATOM 0 HD12 LEU A 69 26.284 -11.758 -8.057 1.00 64.41 H new ATOM 0 HD13 LEU A 69 25.419 -13.179 -8.689 1.00 64.41 H new ATOM 0 HD21 LEU A 69 24.332 -14.101 -5.957 1.00 51.25 H new ATOM 0 HD22 LEU A 69 25.077 -15.198 -7.144 1.00 51.25 H new ATOM 0 HD23 LEU A 69 25.714 -15.118 -5.485 1.00 51.25 H new ATOM 1101 N CYS A 70 29.119 -13.782 -9.581 1.00 32.21 N ATOM 1102 CA CYS A 70 29.698 -13.136 -10.752 1.00 61.14 C ATOM 1103 C CYS A 70 31.190 -12.884 -10.553 1.00 12.15 C ATOM 1104 O CYS A 70 32.013 -13.283 -11.375 1.00 24.24 O ATOM 1105 CB CYS A 70 28.981 -11.816 -11.040 1.00 15.11 C ATOM 1106 SG CYS A 70 28.418 -10.935 -9.548 1.00 20.12 S ATOM 0 H CYS A 70 29.685 -13.708 -8.736 1.00 32.21 H new ATOM 0 HA CYS A 70 29.571 -13.804 -11.604 1.00 61.14 H new ATOM 0 HB2 CYS A 70 29.652 -11.166 -11.602 1.00 15.11 H new ATOM 0 HB3 CYS A 70 28.120 -12.014 -11.679 1.00 15.11 H new ATOM 1111 N GLY A 71 31.530 -12.218 -9.453 1.00 12.00 N ATOM 1112 CA GLY A 71 32.921 -11.924 -9.164 1.00 43.13 C ATOM 1113 C GLY A 71 33.460 -10.785 -10.007 1.00 62.22 C ATOM 1114 O GLY A 71 33.858 -9.747 -9.479 1.00 0.04 O ATOM 0 H GLY A 71 30.867 -11.877 -8.757 1.00 12.00 H new ATOM 0 HA2 GLY A 71 33.024 -11.671 -8.109 1.00 43.13 H new ATOM 0 HA3 GLY A 71 33.522 -12.817 -9.338 1.00 43.13 H new ATOM 1118 N ARG A 72 33.475 -10.980 -11.322 1.00 0.22 N ATOM 1119 CA ARG A 72 33.972 -9.962 -12.239 1.00 41.33 C ATOM 1120 C ARG A 72 33.324 -8.610 -11.955 1.00 35.11 C ATOM 1121 O ARG A 72 33.950 -7.717 -11.384 1.00 63.35 O ATOM 1122 CB ARG A 72 33.702 -10.374 -13.687 1.00 62.25 C ATOM 1123 CG ARG A 72 34.890 -11.040 -14.363 1.00 30.45 C ATOM 1124 CD ARG A 72 34.871 -10.820 -15.867 1.00 64.10 C ATOM 1125 NE ARG A 72 34.954 -12.077 -16.605 1.00 65.44 N ATOM 1126 CZ ARG A 72 35.235 -12.151 -17.902 1.00 30.23 C ATOM 1127 NH1 ARG A 72 35.459 -11.046 -18.599 1.00 14.00 N ATOM 1128 NH2 ARG A 72 35.293 -13.333 -18.503 1.00 12.30 N ATOM 0 H ARG A 72 33.149 -11.833 -11.776 1.00 0.22 H new ATOM 0 HA ARG A 72 35.048 -9.869 -12.089 1.00 41.33 H new ATOM 0 HB2 ARG A 72 32.853 -11.057 -13.709 1.00 62.25 H new ATOM 0 HB3 ARG A 72 33.417 -9.492 -14.260 1.00 62.25 H new ATOM 0 HG2 ARG A 72 35.816 -10.642 -13.948 1.00 30.45 H new ATOM 0 HG3 ARG A 72 34.879 -12.109 -14.150 1.00 30.45 H new ATOM 0 HD2 ARG A 72 33.957 -10.296 -16.145 1.00 64.10 H new ATOM 0 HD3 ARG A 72 35.705 -10.178 -16.150 1.00 64.10 H new ATOM 0 HE ARG A 72 34.787 -12.946 -16.098 1.00 65.44 H new ATOM 0 HH11 ARG A 72 35.416 -10.136 -18.140 1.00 14.00 H new ATOM 0 HH12 ARG A 72 35.674 -11.106 -19.594 1.00 14.00 H new ATOM 0 HH21 ARG A 72 35.122 -14.185 -17.969 1.00 12.30 H new ATOM 0 HH22 ARG A 72 35.509 -13.389 -19.498 1.00 12.30 H new ATOM 1142 N SER A 73 32.065 -8.467 -12.357 1.00 33.31 N ATOM 1143 CA SER A 73 31.332 -7.224 -12.149 1.00 44.53 C ATOM 1144 C SER A 73 31.360 -6.816 -10.679 1.00 53.13 C ATOM 1145 O SER A 73 30.763 -7.476 -9.830 1.00 20.44 O ATOM 1146 CB SER A 73 29.885 -7.374 -12.622 1.00 20.23 C ATOM 1147 OG SER A 73 29.754 -8.458 -13.525 1.00 34.33 O ATOM 0 H SER A 73 31.531 -9.197 -12.829 1.00 33.31 H new ATOM 0 HA SER A 73 31.818 -6.443 -12.734 1.00 44.53 H new ATOM 0 HB2 SER A 73 29.233 -7.531 -11.763 1.00 20.23 H new ATOM 0 HB3 SER A 73 29.560 -6.453 -13.105 1.00 20.23 H new ATOM 0 HG SER A 73 28.820 -8.534 -13.811 1.00 34.33 H new ATOM 1153 N ALA A 74 32.057 -5.723 -10.388 1.00 0.32 N ATOM 1154 CA ALA A 74 32.161 -5.225 -9.022 1.00 2.31 C ATOM 1155 C ALA A 74 30.785 -5.093 -8.379 1.00 53.11 C ATOM 1156 O ALA A 74 30.563 -5.565 -7.265 1.00 11.13 O ATOM 1157 CB ALA A 74 32.886 -3.887 -9.002 1.00 13.13 C ATOM 0 H ALA A 74 32.558 -5.165 -11.080 1.00 0.32 H new ATOM 0 HA ALA A 74 32.736 -5.946 -8.441 1.00 2.31 H new ATOM 0 HB1 ALA A 74 32.957 -3.527 -7.976 1.00 13.13 H new ATOM 0 HB2 ALA A 74 33.888 -4.010 -9.413 1.00 13.13 H new ATOM 0 HB3 ALA A 74 32.333 -3.165 -9.603 1.00 13.13 H new ATOM 1163 N GLU A 75 29.864 -4.448 -9.089 1.00 44.31 N ATOM 1164 CA GLU A 75 28.510 -4.253 -8.585 1.00 71.05 C ATOM 1165 C GLU A 75 27.531 -5.198 -9.276 1.00 64.44 C ATOM 1166 O GLU A 75 27.246 -5.054 -10.465 1.00 74.14 O ATOM 1167 CB GLU A 75 28.068 -2.803 -8.793 1.00 41.15 C ATOM 1168 CG GLU A 75 28.803 -1.810 -7.909 1.00 1.11 C ATOM 1169 CD GLU A 75 27.865 -1.009 -7.027 1.00 42.41 C ATOM 1170 OE1 GLU A 75 26.921 -0.396 -7.569 1.00 4.42 O ATOM 1171 OE2 GLU A 75 28.075 -0.994 -5.796 1.00 73.12 O ATOM 0 H GLU A 75 30.031 -4.052 -10.014 1.00 44.31 H new ATOM 0 HA GLU A 75 28.512 -4.475 -7.518 1.00 71.05 H new ATOM 0 HB2 GLU A 75 28.223 -2.531 -9.837 1.00 41.15 H new ATOM 0 HB3 GLU A 75 26.998 -2.727 -8.599 1.00 41.15 H new ATOM 0 HG2 GLU A 75 29.516 -2.346 -7.282 1.00 1.11 H new ATOM 0 HG3 GLU A 75 29.378 -1.128 -8.535 1.00 1.11 H new ATOM 1178 N CYS A 76 27.021 -6.167 -8.523 1.00 3.33 N ATOM 1179 CA CYS A 76 26.076 -7.137 -9.061 1.00 32.34 C ATOM 1180 C CYS A 76 24.690 -6.942 -8.452 1.00 23.24 C ATOM 1181 O CYS A 76 24.532 -6.943 -7.231 1.00 34.31 O ATOM 1182 CB CYS A 76 26.567 -8.561 -8.792 1.00 72.45 C ATOM 1183 SG CYS A 76 27.100 -9.458 -10.286 1.00 41.51 S ATOM 0 H CYS A 76 27.247 -6.301 -7.537 1.00 3.33 H new ATOM 0 HA CYS A 76 26.006 -6.981 -10.137 1.00 32.34 H new ATOM 0 HB2 CYS A 76 27.399 -8.520 -8.089 1.00 72.45 H new ATOM 0 HB3 CYS A 76 25.769 -9.124 -8.308 1.00 72.45 H new ATOM 1188 N SER A 77 23.690 -6.775 -9.311 1.00 63.13 N ATOM 1189 CA SER A 77 22.319 -6.575 -8.859 1.00 34.22 C ATOM 1190 C SER A 77 21.468 -7.810 -9.141 1.00 41.11 C ATOM 1191 O SER A 77 21.596 -8.438 -10.193 1.00 11.43 O ATOM 1192 CB SER A 77 21.706 -5.352 -9.544 1.00 61.34 C ATOM 1193 OG SER A 77 22.081 -5.292 -10.910 1.00 32.13 O ATOM 0 H SER A 77 23.804 -6.774 -10.325 1.00 63.13 H new ATOM 0 HA SER A 77 22.339 -6.407 -7.782 1.00 34.22 H new ATOM 0 HB2 SER A 77 20.620 -5.392 -9.463 1.00 61.34 H new ATOM 0 HB3 SER A 77 22.030 -4.445 -9.034 1.00 61.34 H new ATOM 0 HG SER A 77 21.675 -4.503 -11.326 1.00 32.13 H new ATOM 1199 N ILE A 78 20.600 -8.152 -8.195 1.00 4.23 N ATOM 1200 CA ILE A 78 19.728 -9.310 -8.341 1.00 71.23 C ATOM 1201 C ILE A 78 18.262 -8.915 -8.201 1.00 73.25 C ATOM 1202 O ILE A 78 17.906 -8.099 -7.350 1.00 73.55 O ATOM 1203 CB ILE A 78 20.056 -10.398 -7.301 1.00 44.43 C ATOM 1204 CG1 ILE A 78 21.511 -10.850 -7.446 1.00 51.21 C ATOM 1205 CG2 ILE A 78 19.111 -11.580 -7.454 1.00 52.41 C ATOM 1206 CD1 ILE A 78 22.422 -10.310 -6.366 1.00 41.53 C ATOM 0 H ILE A 78 20.482 -7.643 -7.319 1.00 4.23 H new ATOM 0 HA ILE A 78 19.901 -9.710 -9.340 1.00 71.23 H new ATOM 0 HB ILE A 78 19.923 -9.979 -6.304 1.00 44.43 H new ATOM 0 HG12 ILE A 78 21.548 -11.939 -7.430 1.00 51.21 H new ATOM 0 HG13 ILE A 78 21.886 -10.533 -8.419 1.00 51.21 H new ATOM 0 HG21 ILE A 78 19.356 -12.340 -6.712 1.00 52.41 H new ATOM 0 HG22 ILE A 78 18.084 -11.246 -7.306 1.00 52.41 H new ATOM 0 HG23 ILE A 78 19.215 -12.002 -8.454 1.00 52.41 H new ATOM 0 HD11 ILE A 78 23.437 -10.671 -6.532 1.00 41.53 H new ATOM 0 HD12 ILE A 78 22.415 -9.220 -6.395 1.00 41.53 H new ATOM 0 HD13 ILE A 78 22.071 -10.649 -5.391 1.00 41.53 H new ATOM 1218 N HIS A 79 17.414 -9.501 -9.042 1.00 1.34 N ATOM 1219 CA HIS A 79 15.985 -9.212 -9.011 1.00 13.35 C ATOM 1220 C HIS A 79 15.190 -10.447 -8.599 1.00 34.03 C ATOM 1221 O HIS A 79 15.518 -11.568 -8.990 1.00 34.25 O ATOM 1222 CB HIS A 79 15.512 -8.720 -10.379 1.00 5.20 C ATOM 1223 CG HIS A 79 16.413 -7.690 -10.989 1.00 22.22 C ATOM 1224 ND1 HIS A 79 16.944 -7.810 -12.256 1.00 24.54 N ATOM 1225 CD2 HIS A 79 16.874 -6.516 -10.499 1.00 4.30 C ATOM 1226 CE1 HIS A 79 17.695 -6.755 -12.518 1.00 31.41 C ATOM 1227 NE2 HIS A 79 17.669 -5.954 -11.468 1.00 72.12 N ATOM 0 H HIS A 79 17.692 -10.178 -9.752 1.00 1.34 H new ATOM 0 HA HIS A 79 15.814 -8.428 -8.273 1.00 13.35 H new ATOM 0 HB2 HIS A 79 15.436 -9.571 -11.056 1.00 5.20 H new ATOM 0 HB3 HIS A 79 14.510 -8.302 -10.279 1.00 5.20 H new ATOM 0 HD2 HIS A 79 16.657 -6.098 -9.527 1.00 4.30 H new ATOM 0 HE1 HIS A 79 18.238 -6.578 -13.435 1.00 31.41 H new ATOM 0 HE2 HIS A 79 18.159 -5.063 -11.390 1.00 72.12 H new ATOM 1235 N LEU A 80 14.144 -10.235 -7.807 1.00 40.33 N ATOM 1236 CA LEU A 80 13.302 -11.331 -7.342 1.00 31.15 C ATOM 1237 C LEU A 80 11.843 -10.896 -7.250 1.00 72.11 C ATOM 1238 O LEU A 80 11.547 -9.711 -7.100 1.00 23.10 O ATOM 1239 CB LEU A 80 13.785 -11.827 -5.977 1.00 75.13 C ATOM 1240 CG LEU A 80 12.958 -12.944 -5.338 1.00 44.14 C ATOM 1241 CD1 LEU A 80 13.845 -13.849 -4.497 1.00 73.22 C ATOM 1242 CD2 LEU A 80 11.835 -12.360 -4.494 1.00 21.00 C ATOM 0 H LEU A 80 13.859 -9.314 -7.474 1.00 40.33 H new ATOM 0 HA LEU A 80 13.375 -12.144 -8.064 1.00 31.15 H new ATOM 0 HB2 LEU A 80 14.812 -12.177 -6.082 1.00 75.13 H new ATOM 0 HB3 LEU A 80 13.806 -10.980 -5.291 1.00 75.13 H new ATOM 0 HG LEU A 80 12.513 -13.542 -6.133 1.00 44.14 H new ATOM 0 HD11 LEU A 80 13.240 -14.638 -4.050 1.00 73.22 H new ATOM 0 HD12 LEU A 80 14.613 -14.295 -5.129 1.00 73.22 H new ATOM 0 HD13 LEU A 80 14.318 -13.264 -3.709 1.00 73.22 H new ATOM 0 HD21 LEU A 80 11.257 -13.169 -4.047 1.00 21.00 H new ATOM 0 HD22 LEU A 80 12.258 -11.738 -3.705 1.00 21.00 H new ATOM 0 HD23 LEU A 80 11.184 -11.754 -5.124 1.00 21.00 H new ATOM 1254 N GLU A 81 10.935 -11.863 -7.340 1.00 23.54 N ATOM 1255 CA GLU A 81 9.507 -11.579 -7.265 1.00 60.42 C ATOM 1256 C GLU A 81 8.821 -12.499 -6.259 1.00 1.22 C ATOM 1257 O GLU A 81 8.823 -13.720 -6.415 1.00 4.05 O ATOM 1258 CB GLU A 81 8.860 -11.740 -8.643 1.00 2.14 C ATOM 1259 CG GLU A 81 8.725 -10.434 -9.407 1.00 51.14 C ATOM 1260 CD GLU A 81 9.821 -10.245 -10.438 1.00 74.45 C ATOM 1261 OE1 GLU A 81 10.078 -11.192 -11.212 1.00 15.52 O ATOM 1262 OE2 GLU A 81 10.421 -9.151 -10.472 1.00 1.22 O ATOM 0 H GLU A 81 11.163 -12.849 -7.465 1.00 23.54 H new ATOM 0 HA GLU A 81 9.384 -10.549 -6.931 1.00 60.42 H new ATOM 0 HB2 GLU A 81 9.453 -12.438 -9.234 1.00 2.14 H new ATOM 0 HB3 GLU A 81 7.872 -12.184 -8.522 1.00 2.14 H new ATOM 0 HG2 GLU A 81 7.755 -10.407 -9.904 1.00 51.14 H new ATOM 0 HG3 GLU A 81 8.746 -9.602 -8.703 1.00 51.14 H new ATOM 1269 N VAL A 82 8.235 -11.903 -5.225 1.00 53.35 N ATOM 1270 CA VAL A 82 7.544 -12.667 -4.193 1.00 42.52 C ATOM 1271 C VAL A 82 6.066 -12.831 -4.528 1.00 11.25 C ATOM 1272 O VAL A 82 5.293 -11.875 -4.454 1.00 34.44 O ATOM 1273 CB VAL A 82 7.676 -11.993 -2.814 1.00 73.12 C ATOM 1274 CG1 VAL A 82 7.282 -12.960 -1.708 1.00 13.10 C ATOM 1275 CG2 VAL A 82 9.092 -11.480 -2.605 1.00 43.34 C ATOM 0 H VAL A 82 8.225 -10.893 -5.080 1.00 53.35 H new ATOM 0 HA VAL A 82 8.016 -13.649 -4.156 1.00 42.52 H new ATOM 0 HB VAL A 82 6.997 -11.141 -2.779 1.00 73.12 H new ATOM 0 HG11 VAL A 82 7.381 -12.467 -0.741 1.00 13.10 H new ATOM 0 HG12 VAL A 82 6.248 -13.274 -1.851 1.00 13.10 H new ATOM 0 HG13 VAL A 82 7.934 -13.833 -1.739 1.00 13.10 H new ATOM 0 HG21 VAL A 82 9.167 -11.007 -1.626 1.00 43.34 H new ATOM 0 HG22 VAL A 82 9.793 -12.313 -2.660 1.00 43.34 H new ATOM 0 HG23 VAL A 82 9.333 -10.752 -3.379 1.00 43.34 H new ATOM 1285 N ILE A 83 5.680 -14.048 -4.895 1.00 12.02 N ATOM 1286 CA ILE A 83 4.293 -14.338 -5.239 1.00 4.31 C ATOM 1287 C ILE A 83 3.449 -14.549 -3.987 1.00 11.01 C ATOM 1288 O ILE A 83 3.671 -15.491 -3.227 1.00 21.54 O ATOM 1289 CB ILE A 83 4.185 -15.586 -6.134 1.00 54.04 C ATOM 1290 CG1 ILE A 83 5.164 -15.487 -7.306 1.00 12.11 C ATOM 1291 CG2 ILE A 83 2.760 -15.752 -6.641 1.00 34.13 C ATOM 1292 CD1 ILE A 83 6.482 -16.184 -7.052 1.00 60.13 C ATOM 0 H ILE A 83 6.308 -14.849 -4.962 1.00 12.02 H new ATOM 0 HA ILE A 83 3.916 -13.474 -5.787 1.00 4.31 H new ATOM 0 HB ILE A 83 4.444 -16.463 -5.541 1.00 54.04 H new ATOM 0 HG12 ILE A 83 4.700 -15.917 -8.194 1.00 12.11 H new ATOM 0 HG13 ILE A 83 5.354 -14.436 -7.523 1.00 12.11 H new ATOM 0 HG21 ILE A 83 2.699 -16.638 -7.272 1.00 34.13 H new ATOM 0 HG22 ILE A 83 2.083 -15.863 -5.794 1.00 34.13 H new ATOM 0 HG23 ILE A 83 2.475 -14.874 -7.220 1.00 34.13 H new ATOM 0 HD11 ILE A 83 7.126 -16.073 -7.924 1.00 60.13 H new ATOM 0 HD12 ILE A 83 6.967 -15.739 -6.183 1.00 60.13 H new ATOM 0 HD13 ILE A 83 6.304 -17.243 -6.865 1.00 60.13 H new ATOM 1304 N VAL A 84 2.477 -13.666 -3.779 1.00 42.11 N ATOM 1305 CA VAL A 84 1.596 -13.757 -2.621 1.00 4.12 C ATOM 1306 C VAL A 84 0.138 -13.879 -3.048 1.00 11.43 C ATOM 1307 O VAL A 84 -0.343 -13.106 -3.877 1.00 35.03 O ATOM 1308 CB VAL A 84 1.750 -12.531 -1.701 1.00 41.12 C ATOM 1309 CG1 VAL A 84 3.071 -12.589 -0.950 1.00 5.10 C ATOM 1310 CG2 VAL A 84 1.641 -11.245 -2.506 1.00 40.41 C ATOM 0 H VAL A 84 2.280 -12.879 -4.398 1.00 42.11 H new ATOM 0 HA VAL A 84 1.886 -14.653 -2.072 1.00 4.12 H new ATOM 0 HB VAL A 84 0.943 -12.544 -0.969 1.00 41.12 H new ATOM 0 HG11 VAL A 84 3.162 -11.715 -0.305 1.00 5.10 H new ATOM 0 HG12 VAL A 84 3.105 -13.493 -0.342 1.00 5.10 H new ATOM 0 HG13 VAL A 84 3.895 -12.601 -1.663 1.00 5.10 H new ATOM 0 HG21 VAL A 84 1.752 -10.389 -1.841 1.00 40.41 H new ATOM 0 HG22 VAL A 84 2.426 -11.221 -3.262 1.00 40.41 H new ATOM 0 HG23 VAL A 84 0.667 -11.202 -2.993 1.00 40.41 H new ATOM 1320 N ASP A 85 -0.561 -14.853 -2.476 1.00 23.02 N ATOM 1321 CA ASP A 85 -1.966 -15.076 -2.796 1.00 0.54 C ATOM 1322 C ASP A 85 -2.867 -14.524 -1.695 1.00 75.14 C ATOM 1323 O ASP A 85 -2.804 -14.966 -0.548 1.00 13.20 O ATOM 1324 CB ASP A 85 -2.236 -16.568 -2.993 1.00 50.01 C ATOM 1325 CG ASP A 85 -2.987 -16.855 -4.278 1.00 74.22 C ATOM 1326 OD1 ASP A 85 -2.532 -16.397 -5.347 1.00 24.15 O ATOM 1327 OD2 ASP A 85 -4.032 -17.537 -4.215 1.00 61.44 O ATOM 0 H ASP A 85 -0.177 -15.501 -1.788 1.00 23.02 H new ATOM 0 HA ASP A 85 -2.190 -14.549 -3.724 1.00 0.54 H new ATOM 0 HB2 ASP A 85 -1.289 -17.108 -3.001 1.00 50.01 H new ATOM 0 HB3 ASP A 85 -2.811 -16.945 -2.147 1.00 50.01 H new ATOM 1332 N ARG A 86 -3.705 -13.556 -2.053 1.00 61.13 N ATOM 1333 CA ARG A 86 -4.617 -12.943 -1.096 1.00 54.30 C ATOM 1334 C ARG A 86 -3.851 -12.117 -0.066 1.00 71.44 C ATOM 1335 O ARG A 86 -3.516 -12.591 1.020 1.00 45.35 O ATOM 1336 CB ARG A 86 -5.447 -14.017 -0.390 1.00 1.55 C ATOM 1337 CG ARG A 86 -6.869 -13.580 -0.076 1.00 44.21 C ATOM 1338 CD ARG A 86 -7.876 -14.657 -0.446 1.00 15.13 C ATOM 1339 NE ARG A 86 -8.352 -14.514 -1.819 1.00 41.41 N ATOM 1340 CZ ARG A 86 -9.187 -15.367 -2.400 1.00 72.25 C ATOM 1341 NH1 ARG A 86 -9.637 -16.419 -1.731 1.00 34.40 N ATOM 1342 NH2 ARG A 86 -9.574 -15.169 -3.654 1.00 54.11 N ATOM 0 H ARG A 86 -3.771 -13.180 -2.999 1.00 61.13 H new ATOM 0 HA ARG A 86 -5.285 -12.279 -1.644 1.00 54.30 H new ATOM 0 HB2 ARG A 86 -5.480 -14.909 -1.016 1.00 1.55 H new ATOM 0 HB3 ARG A 86 -4.949 -14.297 0.538 1.00 1.55 H new ATOM 0 HG2 ARG A 86 -6.954 -13.350 0.986 1.00 44.21 H new ATOM 0 HG3 ARG A 86 -7.098 -12.664 -0.620 1.00 44.21 H new ATOM 0 HD2 ARG A 86 -7.419 -15.639 -0.321 1.00 15.13 H new ATOM 0 HD3 ARG A 86 -8.723 -14.611 0.238 1.00 15.13 H new ATOM 0 HE ARG A 86 -8.025 -13.715 -2.362 1.00 41.41 H new ATOM 0 HH11 ARG A 86 -9.342 -16.575 -0.767 1.00 34.40 H new ATOM 0 HH12 ARG A 86 -10.278 -17.073 -2.180 1.00 34.40 H new ATOM 0 HH21 ARG A 86 -9.230 -14.361 -4.172 1.00 54.11 H new ATOM 0 HH22 ARG A 86 -10.216 -15.825 -4.099 1.00 54.11 H new ATOM 1356 N PRO A 87 -3.567 -10.854 -0.414 1.00 4.51 N ATOM 1357 CA PRO A 87 -3.960 -10.279 -1.704 1.00 34.41 C ATOM 1358 C PRO A 87 -3.179 -10.879 -2.868 1.00 50.00 C ATOM 1359 O PRO A 87 -2.099 -11.440 -2.680 1.00 63.34 O ATOM 1360 CB PRO A 87 -3.629 -8.793 -1.547 1.00 33.24 C ATOM 1361 CG PRO A 87 -2.553 -8.752 -0.517 1.00 51.24 C ATOM 1362 CD PRO A 87 -2.838 -9.888 0.426 1.00 41.23 C ATOM 0 HA PRO A 87 -5.007 -10.474 -1.934 1.00 34.41 H new ATOM 0 HB2 PRO A 87 -3.292 -8.361 -2.489 1.00 33.24 H new ATOM 0 HB3 PRO A 87 -4.503 -8.224 -1.230 1.00 33.24 H new ATOM 0 HG2 PRO A 87 -1.570 -8.862 -0.975 1.00 51.24 H new ATOM 0 HG3 PRO A 87 -2.554 -7.798 0.010 1.00 51.24 H new ATOM 0 HD2 PRO A 87 -1.920 -10.317 0.827 1.00 41.23 H new ATOM 0 HD3 PRO A 87 -3.437 -9.563 1.277 1.00 41.23 H new ATOM 1370 N LEU A 88 -3.731 -10.756 -4.070 1.00 63.52 N ATOM 1371 CA LEU A 88 -3.085 -11.286 -5.266 1.00 64.21 C ATOM 1372 C LEU A 88 -2.166 -10.244 -5.896 1.00 1.04 C ATOM 1373 O LEU A 88 -2.628 -9.312 -6.553 1.00 33.01 O ATOM 1374 CB LEU A 88 -4.137 -11.735 -6.282 1.00 23.13 C ATOM 1375 CG LEU A 88 -4.009 -13.172 -6.790 1.00 10.41 C ATOM 1376 CD1 LEU A 88 -5.382 -13.764 -7.066 1.00 31.32 C ATOM 1377 CD2 LEU A 88 -3.144 -13.220 -8.041 1.00 51.31 C ATOM 0 H LEU A 88 -4.624 -10.294 -4.242 1.00 63.52 H new ATOM 0 HA LEU A 88 -2.482 -12.145 -4.972 1.00 64.21 H new ATOM 0 HB2 LEU A 88 -5.122 -11.617 -5.831 1.00 23.13 H new ATOM 0 HB3 LEU A 88 -4.096 -11.063 -7.139 1.00 23.13 H new ATOM 0 HG LEU A 88 -3.527 -13.770 -6.016 1.00 10.41 H new ATOM 0 HD11 LEU A 88 -5.271 -14.787 -7.427 1.00 31.32 H new ATOM 0 HD12 LEU A 88 -5.969 -13.765 -6.148 1.00 31.32 H new ATOM 0 HD13 LEU A 88 -5.891 -13.166 -7.822 1.00 31.32 H new ATOM 0 HD21 LEU A 88 -3.064 -14.250 -8.389 1.00 51.31 H new ATOM 0 HD22 LEU A 88 -3.598 -12.608 -8.821 1.00 51.31 H new ATOM 0 HD23 LEU A 88 -2.150 -12.836 -7.811 1.00 51.31 H new ATOM 1389 N GLN A 89 -0.863 -10.410 -5.691 1.00 72.31 N ATOM 1390 CA GLN A 89 0.120 -9.484 -6.240 1.00 62.33 C ATOM 1391 C GLN A 89 1.539 -9.986 -5.992 1.00 33.21 C ATOM 1392 O GLN A 89 1.738 -11.082 -5.467 1.00 13.11 O ATOM 1393 CB GLN A 89 -0.057 -8.095 -5.625 1.00 70.02 C ATOM 1394 CG GLN A 89 -0.068 -8.100 -4.105 1.00 51.30 C ATOM 1395 CD GLN A 89 -0.257 -6.715 -3.519 1.00 3.54 C ATOM 1396 OE1 GLN A 89 -1.379 -6.220 -3.414 1.00 14.40 O ATOM 1397 NE2 GLN A 89 0.844 -6.080 -3.132 1.00 31.22 N ATOM 0 H GLN A 89 -0.464 -11.177 -5.149 1.00 72.31 H new ATOM 0 HA GLN A 89 -0.040 -9.420 -7.316 1.00 62.33 H new ATOM 0 HB2 GLN A 89 0.748 -7.448 -5.972 1.00 70.02 H new ATOM 0 HB3 GLN A 89 -0.991 -7.663 -5.985 1.00 70.02 H new ATOM 0 HG2 GLN A 89 -0.868 -8.752 -3.753 1.00 51.30 H new ATOM 0 HG3 GLN A 89 0.869 -8.520 -3.740 1.00 51.30 H new ATOM 0 HE21 GLN A 89 1.755 -6.528 -3.237 1.00 31.22 H new ATOM 0 HE22 GLN A 89 0.779 -5.145 -2.730 1.00 31.22 H new ATOM 1406 N VAL A 90 2.523 -9.178 -6.373 1.00 14.41 N ATOM 1407 CA VAL A 90 3.923 -9.539 -6.191 1.00 23.13 C ATOM 1408 C VAL A 90 4.694 -8.421 -5.498 1.00 12.01 C ATOM 1409 O VAL A 90 4.303 -7.255 -5.556 1.00 2.22 O ATOM 1410 CB VAL A 90 4.601 -9.857 -7.537 1.00 54.31 C ATOM 1411 CG1 VAL A 90 5.952 -10.518 -7.312 1.00 40.34 C ATOM 1412 CG2 VAL A 90 3.702 -10.739 -8.390 1.00 53.23 C ATOM 0 H VAL A 90 2.376 -8.268 -6.810 1.00 14.41 H new ATOM 0 HA VAL A 90 3.940 -10.431 -5.564 1.00 23.13 H new ATOM 0 HB VAL A 90 4.766 -8.921 -8.071 1.00 54.31 H new ATOM 0 HG11 VAL A 90 6.416 -10.735 -8.274 1.00 40.34 H new ATOM 0 HG12 VAL A 90 6.595 -9.847 -6.743 1.00 40.34 H new ATOM 0 HG13 VAL A 90 5.815 -11.446 -6.758 1.00 40.34 H new ATOM 0 HG21 VAL A 90 4.196 -10.954 -9.337 1.00 53.23 H new ATOM 0 HG22 VAL A 90 3.504 -11.673 -7.864 1.00 53.23 H new ATOM 0 HG23 VAL A 90 2.761 -10.223 -8.581 1.00 53.23 H new ATOM 1422 N PHE A 91 5.791 -8.784 -4.843 1.00 24.24 N ATOM 1423 CA PHE A 91 6.618 -7.811 -4.137 1.00 71.54 C ATOM 1424 C PHE A 91 7.988 -7.683 -4.796 1.00 43.11 C ATOM 1425 O PHE A 91 8.721 -8.664 -4.927 1.00 40.14 O ATOM 1426 CB PHE A 91 6.780 -8.217 -2.671 1.00 4.51 C ATOM 1427 CG PHE A 91 5.480 -8.301 -1.925 1.00 13.45 C ATOM 1428 CD1 PHE A 91 4.549 -7.277 -2.010 1.00 64.31 C ATOM 1429 CD2 PHE A 91 5.187 -9.403 -1.138 1.00 1.12 C ATOM 1430 CE1 PHE A 91 3.352 -7.352 -1.324 1.00 2.14 C ATOM 1431 CE2 PHE A 91 3.991 -9.483 -0.449 1.00 62.34 C ATOM 1432 CZ PHE A 91 3.072 -8.457 -0.543 1.00 42.33 C ATOM 0 H PHE A 91 6.129 -9.745 -4.786 1.00 24.24 H new ATOM 0 HA PHE A 91 6.119 -6.843 -4.186 1.00 71.54 H new ATOM 0 HB2 PHE A 91 7.280 -9.184 -2.623 1.00 4.51 H new ATOM 0 HB3 PHE A 91 7.430 -7.497 -2.173 1.00 4.51 H new ATOM 0 HD1 PHE A 91 4.762 -6.411 -2.619 1.00 64.31 H new ATOM 0 HD2 PHE A 91 5.902 -10.209 -1.062 1.00 1.12 H new ATOM 0 HE1 PHE A 91 2.635 -6.547 -1.398 1.00 2.14 H new ATOM 0 HE2 PHE A 91 3.776 -10.347 0.162 1.00 62.34 H new ATOM 0 HZ PHE A 91 2.136 -8.518 -0.007 1.00 42.33 H new ATOM 1442 N HIS A 92 8.328 -6.466 -5.209 1.00 52.04 N ATOM 1443 CA HIS A 92 9.610 -6.208 -5.855 1.00 1.11 C ATOM 1444 C HIS A 92 10.758 -6.349 -4.859 1.00 74.24 C ATOM 1445 O HIS A 92 10.857 -5.587 -3.898 1.00 53.41 O ATOM 1446 CB HIS A 92 9.623 -4.808 -6.470 1.00 73.21 C ATOM 1447 CG HIS A 92 10.099 -4.782 -7.890 1.00 32.31 C ATOM 1448 ND1 HIS A 92 11.413 -4.551 -8.239 1.00 33.41 N ATOM 1449 CD2 HIS A 92 9.428 -4.962 -9.052 1.00 4.31 C ATOM 1450 CE1 HIS A 92 11.530 -4.588 -9.554 1.00 75.23 C ATOM 1451 NE2 HIS A 92 10.340 -4.836 -10.071 1.00 53.05 N ATOM 0 H HIS A 92 7.734 -5.643 -5.108 1.00 52.04 H new ATOM 0 HA HIS A 92 9.745 -6.946 -6.646 1.00 1.11 H new ATOM 0 HB2 HIS A 92 8.617 -4.391 -6.425 1.00 73.21 H new ATOM 0 HB3 HIS A 92 10.263 -4.162 -5.869 1.00 73.21 H new ATOM 0 HD2 HIS A 92 8.373 -5.166 -9.158 1.00 4.31 H new ATOM 0 HE1 HIS A 92 12.443 -4.441 -10.112 1.00 75.23 H new ATOM 0 HE2 HIS A 92 10.132 -4.920 -11.066 1.00 53.05 H new ATOM 1459 N VAL A 93 11.623 -7.331 -5.096 1.00 54.51 N ATOM 1460 CA VAL A 93 12.763 -7.572 -4.221 1.00 4.32 C ATOM 1461 C VAL A 93 14.076 -7.484 -4.992 1.00 33.52 C ATOM 1462 O VAL A 93 14.270 -8.183 -5.986 1.00 21.33 O ATOM 1463 CB VAL A 93 12.669 -8.952 -3.544 1.00 3.14 C ATOM 1464 CG1 VAL A 93 13.908 -9.220 -2.703 1.00 63.01 C ATOM 1465 CG2 VAL A 93 11.410 -9.044 -2.696 1.00 34.21 C ATOM 0 H VAL A 93 11.555 -7.972 -5.887 1.00 54.51 H new ATOM 0 HA VAL A 93 12.743 -6.798 -3.454 1.00 4.32 H new ATOM 0 HB VAL A 93 12.614 -9.715 -4.320 1.00 3.14 H new ATOM 0 HG11 VAL A 93 13.823 -10.200 -2.232 1.00 63.01 H new ATOM 0 HG12 VAL A 93 14.792 -9.199 -3.340 1.00 63.01 H new ATOM 0 HG13 VAL A 93 13.998 -8.454 -1.933 1.00 63.01 H new ATOM 0 HG21 VAL A 93 11.360 -10.026 -2.225 1.00 34.21 H new ATOM 0 HG22 VAL A 93 11.433 -8.273 -1.926 1.00 34.21 H new ATOM 0 HG23 VAL A 93 10.534 -8.900 -3.328 1.00 34.21 H new ATOM 1475 N GLU A 94 14.973 -6.622 -4.526 1.00 3.32 N ATOM 1476 CA GLU A 94 16.268 -6.443 -5.173 1.00 30.34 C ATOM 1477 C GLU A 94 17.402 -6.534 -4.155 1.00 54.21 C ATOM 1478 O GLU A 94 17.515 -5.697 -3.259 1.00 43.25 O ATOM 1479 CB GLU A 94 16.321 -5.095 -5.893 1.00 44.44 C ATOM 1480 CG GLU A 94 17.648 -4.826 -6.584 1.00 53.22 C ATOM 1481 CD GLU A 94 17.579 -3.654 -7.544 1.00 13.32 C ATOM 1482 OE1 GLU A 94 16.598 -3.572 -8.312 1.00 71.32 O ATOM 1483 OE2 GLU A 94 18.506 -2.818 -7.526 1.00 3.43 O ATOM 0 H GLU A 94 14.828 -6.037 -3.703 1.00 3.32 H new ATOM 0 HA GLU A 94 16.394 -7.242 -5.904 1.00 30.34 H new ATOM 0 HB2 GLU A 94 15.521 -5.056 -6.633 1.00 44.44 H new ATOM 0 HB3 GLU A 94 16.128 -4.300 -5.173 1.00 44.44 H new ATOM 0 HG2 GLU A 94 18.412 -4.630 -5.832 1.00 53.22 H new ATOM 0 HG3 GLU A 94 17.958 -5.718 -7.128 1.00 53.22 H new ATOM 1490 N VAL A 95 18.238 -7.556 -4.300 1.00 24.55 N ATOM 1491 CA VAL A 95 19.364 -7.757 -3.394 1.00 73.34 C ATOM 1492 C VAL A 95 20.691 -7.523 -4.107 1.00 52.21 C ATOM 1493 O VAL A 95 20.970 -8.137 -5.136 1.00 44.11 O ATOM 1494 CB VAL A 95 19.358 -9.177 -2.798 1.00 33.40 C ATOM 1495 CG1 VAL A 95 18.158 -9.367 -1.882 1.00 42.01 C ATOM 1496 CG2 VAL A 95 19.363 -10.220 -3.906 1.00 22.03 C ATOM 0 H VAL A 95 18.158 -8.258 -5.036 1.00 24.55 H new ATOM 0 HA VAL A 95 19.255 -7.032 -2.588 1.00 73.34 H new ATOM 0 HB VAL A 95 20.263 -9.306 -2.204 1.00 33.40 H new ATOM 0 HG11 VAL A 95 18.171 -10.376 -1.470 1.00 42.01 H new ATOM 0 HG12 VAL A 95 18.203 -8.643 -1.069 1.00 42.01 H new ATOM 0 HG13 VAL A 95 17.240 -9.218 -2.450 1.00 42.01 H new ATOM 0 HG21 VAL A 95 19.359 -11.218 -3.467 1.00 22.03 H new ATOM 0 HG22 VAL A 95 18.477 -10.094 -4.528 1.00 22.03 H new ATOM 0 HG23 VAL A 95 20.257 -10.097 -4.518 1.00 22.03 H new ATOM 1506 N GLU A 96 21.505 -6.630 -3.552 1.00 31.51 N ATOM 1507 CA GLU A 96 22.803 -6.315 -4.136 1.00 4.13 C ATOM 1508 C GLU A 96 23.931 -6.967 -3.340 1.00 75.44 C ATOM 1509 O GLU A 96 23.787 -7.242 -2.149 1.00 75.21 O ATOM 1510 CB GLU A 96 23.010 -4.800 -4.185 1.00 44.43 C ATOM 1511 CG GLU A 96 23.279 -4.267 -5.583 1.00 31.51 C ATOM 1512 CD GLU A 96 23.790 -2.840 -5.575 1.00 41.14 C ATOM 1513 OE1 GLU A 96 24.575 -2.495 -4.668 1.00 1.13 O ATOM 1514 OE2 GLU A 96 23.405 -2.068 -6.478 1.00 54.41 O ATOM 0 H GLU A 96 21.288 -6.113 -2.700 1.00 31.51 H new ATOM 0 HA GLU A 96 22.822 -6.711 -5.151 1.00 4.13 H new ATOM 0 HB2 GLU A 96 22.125 -4.308 -3.782 1.00 44.43 H new ATOM 0 HB3 GLU A 96 23.846 -4.535 -3.537 1.00 44.43 H new ATOM 0 HG2 GLU A 96 24.009 -4.908 -6.078 1.00 31.51 H new ATOM 0 HG3 GLU A 96 22.362 -4.317 -6.170 1.00 31.51 H new ATOM 1521 N VAL A 97 25.053 -7.213 -4.009 1.00 31.52 N ATOM 1522 CA VAL A 97 26.205 -7.833 -3.366 1.00 25.03 C ATOM 1523 C VAL A 97 27.114 -6.783 -2.736 1.00 14.03 C ATOM 1524 O VAL A 97 27.272 -5.685 -3.269 1.00 3.44 O ATOM 1525 CB VAL A 97 27.024 -8.670 -4.367 1.00 1.04 C ATOM 1526 CG1 VAL A 97 26.285 -9.951 -4.722 1.00 30.12 C ATOM 1527 CG2 VAL A 97 27.330 -7.857 -5.616 1.00 35.13 C ATOM 0 H VAL A 97 25.188 -6.992 -4.996 1.00 31.52 H new ATOM 0 HA VAL A 97 25.817 -8.489 -2.587 1.00 25.03 H new ATOM 0 HB VAL A 97 27.970 -8.943 -3.898 1.00 1.04 H new ATOM 0 HG11 VAL A 97 26.879 -10.529 -5.430 1.00 30.12 H new ATOM 0 HG12 VAL A 97 26.122 -10.539 -3.819 1.00 30.12 H new ATOM 0 HG13 VAL A 97 25.323 -9.704 -5.172 1.00 30.12 H new ATOM 0 HG21 VAL A 97 27.909 -8.464 -6.312 1.00 35.13 H new ATOM 0 HG22 VAL A 97 26.397 -7.552 -6.090 1.00 35.13 H new ATOM 0 HG23 VAL A 97 27.904 -6.972 -5.342 1.00 35.13 H new ATOM 1537 N ARG A 98 27.708 -7.128 -1.598 1.00 61.34 N ATOM 1538 CA ARG A 98 28.600 -6.215 -0.895 1.00 25.12 C ATOM 1539 C ARG A 98 30.006 -6.800 -0.793 1.00 3.55 C ATOM 1540 O ARG A 98 30.243 -7.746 -0.041 1.00 52.14 O ATOM 1541 CB ARG A 98 28.058 -5.915 0.504 1.00 64.01 C ATOM 1542 CG ARG A 98 28.068 -4.437 0.857 1.00 43.32 C ATOM 1543 CD ARG A 98 29.337 -4.050 1.602 1.00 74.24 C ATOM 1544 NE ARG A 98 29.353 -2.634 1.956 1.00 41.52 N ATOM 1545 CZ ARG A 98 28.580 -2.102 2.896 1.00 31.01 C ATOM 1546 NH1 ARG A 98 27.734 -2.866 3.573 1.00 14.21 N ATOM 1547 NH2 ARG A 98 28.653 -0.804 3.161 1.00 13.12 N ATOM 0 H ARG A 98 27.587 -8.033 -1.144 1.00 61.34 H new ATOM 0 HA ARG A 98 28.652 -5.287 -1.464 1.00 25.12 H new ATOM 0 HB2 ARG A 98 27.037 -6.290 0.577 1.00 64.01 H new ATOM 0 HB3 ARG A 98 28.651 -6.459 1.239 1.00 64.01 H new ATOM 0 HG2 ARG A 98 27.984 -3.844 -0.054 1.00 43.32 H new ATOM 0 HG3 ARG A 98 27.199 -4.203 1.471 1.00 43.32 H new ATOM 0 HD2 ARG A 98 29.424 -4.651 2.507 1.00 74.24 H new ATOM 0 HD3 ARG A 98 30.205 -4.279 0.983 1.00 74.24 H new ATOM 0 HE ARG A 98 29.993 -2.019 1.454 1.00 41.52 H new ATOM 0 HH11 ARG A 98 27.676 -3.864 3.372 1.00 14.21 H new ATOM 0 HH12 ARG A 98 27.141 -2.455 4.294 1.00 14.21 H new ATOM 0 HH21 ARG A 98 29.303 -0.213 2.643 1.00 13.12 H new ATOM 0 HH22 ARG A 98 28.059 -0.397 3.883 1.00 13.12 H new ATOM 1561 N ASP A 99 30.935 -6.230 -1.553 1.00 12.12 N ATOM 1562 CA ASP A 99 32.317 -6.694 -1.548 1.00 4.43 C ATOM 1563 C ASP A 99 33.172 -5.866 -2.503 1.00 12.24 C ATOM 1564 O ASP A 99 32.730 -4.834 -3.010 1.00 25.20 O ATOM 1565 CB ASP A 99 32.383 -8.172 -1.936 1.00 4.35 C ATOM 1566 CG ASP A 99 33.140 -9.004 -0.919 1.00 14.23 C ATOM 1567 OD1 ASP A 99 33.010 -8.724 0.291 1.00 15.21 O ATOM 1568 OD2 ASP A 99 33.862 -9.935 -1.333 1.00 3.43 O ATOM 0 H ASP A 99 30.756 -5.446 -2.180 1.00 12.12 H new ATOM 0 HA ASP A 99 32.711 -6.573 -0.539 1.00 4.43 H new ATOM 0 HB2 ASP A 99 31.371 -8.563 -2.040 1.00 4.35 H new ATOM 0 HB3 ASP A 99 32.863 -8.268 -2.910 1.00 4.35 H new ATOM 1573 N ILE A 100 34.396 -6.324 -2.742 1.00 12.04 N ATOM 1574 CA ILE A 100 35.311 -5.626 -3.635 1.00 44.42 C ATOM 1575 C ILE A 100 35.949 -6.588 -4.632 1.00 35.35 C ATOM 1576 O ILE A 100 36.055 -7.786 -4.371 1.00 51.05 O ATOM 1577 CB ILE A 100 36.424 -4.906 -2.851 1.00 1.42 C ATOM 1578 CG1 ILE A 100 37.108 -3.861 -3.736 1.00 21.35 C ATOM 1579 CG2 ILE A 100 37.439 -5.911 -2.328 1.00 31.14 C ATOM 1580 CD1 ILE A 100 36.171 -2.781 -4.230 1.00 64.51 C ATOM 0 H ILE A 100 34.777 -7.176 -2.329 1.00 12.04 H new ATOM 0 HA ILE A 100 34.720 -4.886 -4.175 1.00 44.42 H new ATOM 0 HB ILE A 100 35.975 -4.395 -1.999 1.00 1.42 H new ATOM 0 HG12 ILE A 100 37.920 -3.398 -3.176 1.00 21.35 H new ATOM 0 HG13 ILE A 100 37.557 -4.361 -4.594 1.00 21.35 H new ATOM 0 HG21 ILE A 100 38.219 -5.387 -1.776 1.00 31.14 H new ATOM 0 HG22 ILE A 100 36.941 -6.620 -1.667 1.00 31.14 H new ATOM 0 HG23 ILE A 100 37.885 -6.447 -3.166 1.00 31.14 H new ATOM 0 HD11 ILE A 100 36.724 -2.076 -4.851 1.00 64.51 H new ATOM 0 HD12 ILE A 100 35.372 -3.233 -4.818 1.00 64.51 H new ATOM 0 HD13 ILE A 100 35.741 -2.255 -3.378 1.00 64.51 H new ATOM 1592 N ASN A 101 36.373 -6.055 -5.773 1.00 34.32 N ATOM 1593 CA ASN A 101 37.001 -6.867 -6.809 1.00 21.25 C ATOM 1594 C ASN A 101 38.404 -7.295 -6.388 1.00 50.30 C ATOM 1595 O ASN A 101 38.813 -8.433 -6.620 1.00 50.50 O ATOM 1596 CB ASN A 101 37.066 -6.091 -8.125 1.00 53.33 C ATOM 1597 CG ASN A 101 37.726 -4.735 -7.965 1.00 42.03 C ATOM 1598 OD1 ASN A 101 37.127 -3.799 -7.437 1.00 14.51 O ATOM 1599 ND2 ASN A 101 38.968 -4.624 -8.423 1.00 30.34 N ATOM 0 H ASN A 101 36.293 -5.065 -6.004 1.00 34.32 H new ATOM 0 HA ASN A 101 36.395 -7.761 -6.952 1.00 21.25 H new ATOM 0 HB2 ASN A 101 37.617 -6.676 -8.861 1.00 53.33 H new ATOM 0 HB3 ASN A 101 36.057 -5.957 -8.515 1.00 53.33 H new ATOM 0 HD21 ASN A 101 39.463 -3.736 -8.344 1.00 30.34 H new ATOM 0 HD22 ASN A 101 39.426 -5.427 -8.854 1.00 30.34 H new ATOM 1606 N ASP A 102 39.136 -6.375 -5.768 1.00 73.42 N ATOM 1607 CA ASP A 102 40.492 -6.657 -5.313 1.00 63.03 C ATOM 1608 C ASP A 102 40.519 -7.889 -4.414 1.00 1.00 C ATOM 1609 O ASP A 102 41.532 -8.581 -4.324 1.00 31.44 O ATOM 1610 CB ASP A 102 41.063 -5.451 -4.565 1.00 34.33 C ATOM 1611 CG ASP A 102 41.182 -4.225 -5.448 1.00 64.11 C ATOM 1612 OD1 ASP A 102 42.002 -4.250 -6.390 1.00 41.13 O ATOM 1613 OD2 ASP A 102 40.456 -3.241 -5.198 1.00 12.01 O ATOM 0 H ASP A 102 38.813 -5.428 -5.569 1.00 73.42 H new ATOM 0 HA ASP A 102 41.109 -6.856 -6.189 1.00 63.03 H new ATOM 0 HB2 ASP A 102 40.424 -5.220 -3.712 1.00 34.33 H new ATOM 0 HB3 ASP A 102 42.046 -5.706 -4.168 1.00 34.33 H new ATOM 1618 N ASN A 103 39.399 -8.155 -3.750 1.00 30.11 N ATOM 1619 CA ASN A 103 39.295 -9.303 -2.856 1.00 13.31 C ATOM 1620 C ASN A 103 37.842 -9.561 -2.469 1.00 13.51 C ATOM 1621 O ASN A 103 37.462 -10.690 -2.162 1.00 62.54 O ATOM 1622 CB ASN A 103 40.136 -9.074 -1.599 1.00 22.23 C ATOM 1623 CG ASN A 103 41.027 -10.258 -1.276 1.00 32.51 C ATOM 1624 OD1 ASN A 103 40.595 -11.410 -1.341 1.00 4.30 O ATOM 1625 ND2 ASN A 103 42.277 -9.980 -0.925 1.00 60.23 N ATOM 0 H ASN A 103 38.551 -7.592 -3.814 1.00 30.11 H new ATOM 0 HA ASN A 103 39.673 -10.179 -3.384 1.00 13.31 H new ATOM 0 HB2 ASN A 103 40.752 -8.185 -1.734 1.00 22.23 H new ATOM 0 HB3 ASN A 103 39.476 -8.878 -0.754 1.00 22.23 H new ATOM 0 HD21 ASN A 103 42.922 -10.736 -0.696 1.00 60.23 H new ATOM 0 HD22 ASN A 103 42.592 -9.011 -0.885 1.00 60.23 H new TER 1632 ASN A 103