USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=10 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 Set 1.1: A 52 ASN : amide:sc= -1.26 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0.00244 K(o=-1.3,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 170:sc= 0 (180deg=-0.0838) USER MOD Single : A 2 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.32) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 6 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 7 TYR OH : rot 150:sc= -2 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 HD1:sc=-0.00689 X(o=-0.0069,f=-0.0069) USER MOD Single : A 17 THR OG1 : rot 68:sc= 1.29 USER MOD Single : A 24 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.0095) USER MOD Single : A 31 THR OG1 : rot 56:sc= 0.344 USER MOD Single : A 42 SER OG : rot 115:sc= 1.42 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.421 K(o=-0.42,f=-2.2) USER MOD Single : A 61 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.8) USER MOD Single : A 62 SER OG : rot -71:sc= 1.25 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.42) USER MOD Single : A 92 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.2) USER MOD Single : A 101 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.9!) USER MOD Single : A 103 ASN : amide:sc= -0.749 X(o=-0.75,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.860 0.834 -0.002 1.00 31.50 N ATOM 2 CA GLY A 1 2.962 1.514 -0.656 1.00 51.41 C ATOM 3 C GLY A 1 4.292 0.829 -0.415 1.00 61.53 C ATOM 4 O GLY A 1 5.319 1.488 -0.260 1.00 12.10 O ATOM 0 H1 GLY A 1 1.007 1.427 -0.053 1.00 31.50 H new ATOM 0 H2 GLY A 1 1.680 -0.073 -0.478 1.00 31.50 H new ATOM 0 H3 GLY A 1 2.102 0.660 0.995 1.00 31.50 H new ATOM 0 HA2 GLY A 1 2.770 1.561 -1.728 1.00 51.41 H new ATOM 0 HA3 GLY A 1 3.016 2.541 -0.296 1.00 51.41 H new ATOM 8 N ASN A 2 4.274 -0.500 -0.383 1.00 34.05 N ATOM 9 CA ASN A 2 5.488 -1.276 -0.156 1.00 53.13 C ATOM 10 C ASN A 2 5.702 -2.289 -1.277 1.00 23.24 C ATOM 11 O ASN A 2 5.444 -3.481 -1.108 1.00 14.33 O ATOM 12 CB ASN A 2 5.414 -1.997 1.191 1.00 15.32 C ATOM 13 CG ASN A 2 4.787 -1.138 2.273 1.00 53.25 C ATOM 14 OD1 ASN A 2 3.565 -1.010 2.349 1.00 74.32 O ATOM 15 ND2 ASN A 2 5.623 -0.544 3.115 1.00 5.42 N ATOM 0 H ASN A 2 3.432 -1.062 -0.511 1.00 34.05 H new ATOM 0 HA ASN A 2 6.333 -0.588 -0.145 1.00 53.13 H new ATOM 0 HB2 ASN A 2 4.835 -2.914 1.078 1.00 15.32 H new ATOM 0 HB3 ASN A 2 6.418 -2.289 1.499 1.00 15.32 H new ATOM 0 HD21 ASN A 2 5.260 0.047 3.863 1.00 5.42 H new ATOM 0 HD22 ASN A 2 6.629 -0.678 3.015 1.00 5.42 H new ATOM 22 N SER A 3 6.178 -1.807 -2.420 1.00 54.23 N ATOM 23 CA SER A 3 6.424 -2.669 -3.570 1.00 24.51 C ATOM 24 C SER A 3 7.910 -2.700 -3.917 1.00 54.23 C ATOM 25 O SER A 3 8.417 -3.698 -4.428 1.00 44.54 O ATOM 26 CB SER A 3 5.616 -2.190 -4.777 1.00 43.31 C ATOM 27 OG SER A 3 4.270 -1.932 -4.419 1.00 54.34 O ATOM 0 H SER A 3 6.401 -0.824 -2.575 1.00 54.23 H new ATOM 0 HA SER A 3 6.108 -3.679 -3.310 1.00 24.51 H new ATOM 0 HB2 SER A 3 6.067 -1.285 -5.185 1.00 43.31 H new ATOM 0 HB3 SER A 3 5.648 -2.944 -5.563 1.00 43.31 H new ATOM 0 HG SER A 3 3.775 -1.626 -5.207 1.00 54.34 H new ATOM 33 N GLN A 4 8.599 -1.599 -3.636 1.00 24.13 N ATOM 34 CA GLN A 4 10.026 -1.499 -3.919 1.00 2.10 C ATOM 35 C GLN A 4 10.852 -1.834 -2.681 1.00 53.11 C ATOM 36 O GLN A 4 10.974 -1.019 -1.766 1.00 65.01 O ATOM 37 CB GLN A 4 10.372 -0.093 -4.412 1.00 42.12 C ATOM 38 CG GLN A 4 9.863 1.013 -3.502 1.00 42.44 C ATOM 39 CD GLN A 4 10.938 2.024 -3.155 1.00 4.12 C ATOM 40 OE1 GLN A 4 11.756 1.796 -2.262 1.00 53.24 O ATOM 41 NE2 GLN A 4 10.944 3.149 -3.860 1.00 14.42 N ATOM 0 H GLN A 4 8.193 -0.764 -3.213 1.00 24.13 H new ATOM 0 HA GLN A 4 10.267 -2.220 -4.700 1.00 2.10 H new ATOM 0 HB2 GLN A 4 11.454 -0.006 -4.505 1.00 42.12 H new ATOM 0 HB3 GLN A 4 9.954 0.047 -5.409 1.00 42.12 H new ATOM 0 HG2 GLN A 4 9.032 1.524 -3.988 1.00 42.44 H new ATOM 0 HG3 GLN A 4 9.474 0.573 -2.584 1.00 42.44 H new ATOM 0 HE21 GLN A 4 10.248 3.297 -4.591 1.00 14.42 H new ATOM 0 HE22 GLN A 4 11.645 3.866 -3.671 1.00 14.42 H new ATOM 50 N ILE A 5 11.415 -3.037 -2.660 1.00 30.15 N ATOM 51 CA ILE A 5 12.229 -3.479 -1.534 1.00 42.21 C ATOM 52 C ILE A 5 13.538 -4.098 -2.012 1.00 60.31 C ATOM 53 O ILE A 5 13.569 -4.814 -3.014 1.00 4.21 O ATOM 54 CB ILE A 5 11.478 -4.503 -0.663 1.00 13.40 C ATOM 55 CG1 ILE A 5 10.046 -4.029 -0.401 1.00 64.22 C ATOM 56 CG2 ILE A 5 12.216 -4.725 0.648 1.00 31.45 C ATOM 57 CD1 ILE A 5 9.971 -2.721 0.354 1.00 44.41 C ATOM 0 H ILE A 5 11.323 -3.723 -3.409 1.00 30.15 H new ATOM 0 HA ILE A 5 12.445 -2.594 -0.935 1.00 42.21 H new ATOM 0 HB ILE A 5 11.435 -5.452 -1.198 1.00 13.40 H new ATOM 0 HG12 ILE A 5 9.528 -3.919 -1.354 1.00 64.22 H new ATOM 0 HG13 ILE A 5 9.516 -4.796 0.164 1.00 64.22 H new ATOM 0 HG21 ILE A 5 11.673 -5.451 1.253 1.00 31.45 H new ATOM 0 HG22 ILE A 5 13.218 -5.101 0.442 1.00 31.45 H new ATOM 0 HG23 ILE A 5 12.287 -3.782 1.190 1.00 31.45 H new ATOM 0 HD11 ILE A 5 8.927 -2.447 0.504 1.00 44.41 H new ATOM 0 HD12 ILE A 5 10.460 -2.831 1.322 1.00 44.41 H new ATOM 0 HD13 ILE A 5 10.472 -1.941 -0.219 1.00 44.41 H new ATOM 69 N HIS A 6 14.617 -3.820 -1.288 1.00 24.11 N ATOM 70 CA HIS A 6 15.930 -4.352 -1.637 1.00 30.24 C ATOM 71 C HIS A 6 16.690 -4.786 -0.387 1.00 33.43 C ATOM 72 O HIS A 6 16.484 -4.241 0.698 1.00 50.23 O ATOM 73 CB HIS A 6 16.741 -3.306 -2.403 1.00 35.43 C ATOM 74 CG HIS A 6 16.739 -1.956 -1.756 1.00 1.43 C ATOM 75 ND1 HIS A 6 16.172 -0.842 -2.339 1.00 71.31 N ATOM 76 CD2 HIS A 6 17.239 -1.543 -0.567 1.00 54.44 C ATOM 77 CE1 HIS A 6 16.324 0.197 -1.539 1.00 2.45 C ATOM 78 NE2 HIS A 6 16.968 -0.201 -0.456 1.00 41.12 N ATOM 0 H HIS A 6 14.609 -3.230 -0.456 1.00 24.11 H new ATOM 0 HA HIS A 6 15.783 -5.225 -2.274 1.00 30.24 H new ATOM 0 HB2 HIS A 6 17.770 -3.653 -2.497 1.00 35.43 H new ATOM 0 HB3 HIS A 6 16.341 -3.216 -3.413 1.00 35.43 H new ATOM 0 HD2 HIS A 6 17.755 -2.155 0.159 1.00 54.44 H new ATOM 0 HE1 HIS A 6 15.980 1.202 -1.736 1.00 2.45 H new ATOM 0 HE2 HIS A 6 17.223 0.392 0.334 1.00 41.12 H new ATOM 86 N TYR A 7 17.567 -5.771 -0.546 1.00 0.01 N ATOM 87 CA TYR A 7 18.355 -6.281 0.570 1.00 12.42 C ATOM 88 C TYR A 7 19.848 -6.166 0.280 1.00 2.11 C ATOM 89 O TYR A 7 20.255 -5.945 -0.860 1.00 44.43 O ATOM 90 CB TYR A 7 17.990 -7.738 0.856 1.00 71.33 C ATOM 91 CG TYR A 7 16.502 -8.008 0.824 1.00 44.40 C ATOM 92 CD1 TYR A 7 15.600 -7.098 1.361 1.00 21.14 C ATOM 93 CD2 TYR A 7 15.999 -9.171 0.255 1.00 24.45 C ATOM 94 CE1 TYR A 7 14.240 -7.341 1.335 1.00 4.52 C ATOM 95 CE2 TYR A 7 14.641 -9.422 0.224 1.00 41.55 C ATOM 96 CZ TYR A 7 13.766 -8.503 0.765 1.00 32.40 C ATOM 97 OH TYR A 7 12.412 -8.748 0.736 1.00 51.13 O ATOM 0 H TYR A 7 17.750 -6.232 -1.437 1.00 0.01 H new ATOM 0 HA TYR A 7 18.127 -5.678 1.449 1.00 12.42 H new ATOM 0 HB2 TYR A 7 18.482 -8.378 0.123 1.00 71.33 H new ATOM 0 HB3 TYR A 7 18.380 -8.016 1.835 1.00 71.33 H new ATOM 0 HD1 TYR A 7 15.968 -6.185 1.806 1.00 21.14 H new ATOM 0 HD2 TYR A 7 16.682 -9.892 -0.171 1.00 24.45 H new ATOM 0 HE1 TYR A 7 13.552 -6.624 1.759 1.00 4.52 H new ATOM 0 HE2 TYR A 7 14.267 -10.332 -0.221 1.00 41.55 H new ATOM 0 HH TYR A 7 12.194 -9.289 -0.052 1.00 51.13 H new ATOM 107 N SER A 8 20.660 -6.319 1.321 1.00 1.34 N ATOM 108 CA SER A 8 22.109 -6.229 1.181 1.00 72.32 C ATOM 109 C SER A 8 22.776 -7.541 1.583 1.00 75.43 C ATOM 110 O SER A 8 22.937 -7.830 2.769 1.00 74.42 O ATOM 111 CB SER A 8 22.656 -5.084 2.035 1.00 55.32 C ATOM 112 OG SER A 8 22.052 -3.851 1.682 1.00 73.32 O ATOM 0 H SER A 8 20.339 -6.506 2.271 1.00 1.34 H new ATOM 0 HA SER A 8 22.336 -6.031 0.133 1.00 72.32 H new ATOM 0 HB2 SER A 8 22.474 -5.293 3.089 1.00 55.32 H new ATOM 0 HB3 SER A 8 23.736 -5.014 1.906 1.00 55.32 H new ATOM 0 HG SER A 8 22.417 -3.135 2.243 1.00 73.32 H new ATOM 118 N ILE A 9 23.161 -8.331 0.586 1.00 33.42 N ATOM 119 CA ILE A 9 23.811 -9.612 0.835 1.00 50.01 C ATOM 120 C ILE A 9 25.260 -9.595 0.359 1.00 54.42 C ATOM 121 O ILE A 9 25.548 -9.425 -0.826 1.00 73.01 O ATOM 122 CB ILE A 9 23.067 -10.766 0.137 1.00 30.04 C ATOM 123 CG1 ILE A 9 23.904 -12.046 0.188 1.00 40.21 C ATOM 124 CG2 ILE A 9 22.744 -10.394 -1.302 1.00 72.41 C ATOM 125 CD1 ILE A 9 23.232 -13.234 -0.465 1.00 11.44 C ATOM 0 H ILE A 9 23.034 -8.107 -0.401 1.00 33.42 H new ATOM 0 HA ILE A 9 23.787 -9.774 1.913 1.00 50.01 H new ATOM 0 HB ILE A 9 22.130 -10.946 0.664 1.00 30.04 H new ATOM 0 HG12 ILE A 9 24.860 -11.865 -0.303 1.00 40.21 H new ATOM 0 HG13 ILE A 9 24.120 -12.288 1.229 1.00 40.21 H new ATOM 0 HG21 ILE A 9 22.218 -11.219 -1.782 1.00 72.41 H new ATOM 0 HG22 ILE A 9 22.113 -9.505 -1.315 1.00 72.41 H new ATOM 0 HG23 ILE A 9 23.669 -10.190 -1.842 1.00 72.41 H new ATOM 0 HD11 ILE A 9 23.882 -14.106 -0.391 1.00 11.44 H new ATOM 0 HD12 ILE A 9 22.289 -13.441 0.040 1.00 11.44 H new ATOM 0 HD13 ILE A 9 23.040 -13.012 -1.515 1.00 11.44 H new ATOM 137 N PRO A 10 26.195 -9.776 1.303 1.00 51.00 N ATOM 138 CA PRO A 10 27.630 -9.788 1.004 1.00 51.23 C ATOM 139 C PRO A 10 28.047 -11.024 0.214 1.00 2.22 C ATOM 140 O PRO A 10 27.624 -12.138 0.520 1.00 61.13 O ATOM 141 CB PRO A 10 28.281 -9.793 2.389 1.00 20.10 C ATOM 142 CG PRO A 10 27.259 -10.402 3.286 1.00 50.03 C ATOM 143 CD PRO A 10 25.924 -9.984 2.735 1.00 35.03 C ATOM 0 HA PRO A 10 27.924 -8.942 0.383 1.00 51.23 H new ATOM 0 HB2 PRO A 10 29.204 -10.372 2.390 1.00 20.10 H new ATOM 0 HB3 PRO A 10 28.538 -8.783 2.709 1.00 20.10 H new ATOM 0 HG2 PRO A 10 27.352 -11.488 3.303 1.00 50.03 H new ATOM 0 HG3 PRO A 10 27.384 -10.055 4.312 1.00 50.03 H new ATOM 0 HD2 PRO A 10 25.166 -10.751 2.893 1.00 35.03 H new ATOM 0 HD3 PRO A 10 25.560 -9.074 3.211 1.00 35.03 H new ATOM 151 N GLU A 11 28.880 -10.818 -0.802 1.00 32.34 N ATOM 152 CA GLU A 11 29.353 -11.918 -1.635 1.00 4.55 C ATOM 153 C GLU A 11 29.848 -13.077 -0.775 1.00 61.41 C ATOM 154 O GLU A 11 30.182 -12.897 0.395 1.00 3.03 O ATOM 155 CB GLU A 11 30.475 -11.439 -2.560 1.00 34.44 C ATOM 156 CG GLU A 11 29.975 -10.710 -3.795 1.00 53.11 C ATOM 157 CD GLU A 11 30.889 -10.894 -4.991 1.00 74.21 C ATOM 158 OE1 GLU A 11 32.031 -10.392 -4.947 1.00 23.24 O ATOM 159 OE2 GLU A 11 30.462 -11.540 -5.971 1.00 15.40 O ATOM 0 H GLU A 11 29.240 -9.902 -1.068 1.00 32.34 H new ATOM 0 HA GLU A 11 28.517 -12.269 -2.240 1.00 4.55 H new ATOM 0 HB2 GLU A 11 31.138 -10.778 -2.001 1.00 34.44 H new ATOM 0 HB3 GLU A 11 31.070 -12.298 -2.871 1.00 34.44 H new ATOM 0 HG2 GLU A 11 28.977 -11.070 -4.046 1.00 53.11 H new ATOM 0 HG3 GLU A 11 29.883 -9.647 -3.573 1.00 53.11 H new ATOM 166 N GLU A 12 29.891 -14.268 -1.366 1.00 11.34 N ATOM 167 CA GLU A 12 30.343 -15.457 -0.654 1.00 21.14 C ATOM 168 C GLU A 12 29.396 -15.797 0.494 1.00 64.21 C ATOM 169 O GLU A 12 29.763 -16.517 1.422 1.00 33.31 O ATOM 170 CB GLU A 12 31.760 -15.248 -0.115 1.00 62.43 C ATOM 171 CG GLU A 12 32.495 -16.544 0.183 1.00 31.42 C ATOM 172 CD GLU A 12 33.916 -16.544 -0.345 1.00 23.20 C ATOM 173 OE1 GLU A 12 34.545 -15.465 -0.358 1.00 73.33 O ATOM 174 OE2 GLU A 12 34.400 -17.624 -0.745 1.00 1.01 O ATOM 0 H GLU A 12 29.619 -14.434 -2.335 1.00 11.34 H new ATOM 0 HA GLU A 12 30.348 -16.290 -1.357 1.00 21.14 H new ATOM 0 HB2 GLU A 12 32.335 -14.673 -0.841 1.00 62.43 H new ATOM 0 HB3 GLU A 12 31.709 -14.651 0.796 1.00 62.43 H new ATOM 0 HG2 GLU A 12 32.512 -16.708 1.260 1.00 31.42 H new ATOM 0 HG3 GLU A 12 31.948 -17.377 -0.258 1.00 31.42 H new ATOM 181 N ALA A 13 28.177 -15.273 0.422 1.00 2.14 N ATOM 182 CA ALA A 13 27.177 -15.521 1.453 1.00 22.53 C ATOM 183 C ALA A 13 26.837 -17.005 1.541 1.00 35.33 C ATOM 184 O ALA A 13 26.210 -17.564 0.641 1.00 52.34 O ATOM 185 CB ALA A 13 25.923 -14.705 1.179 1.00 33.33 C ATOM 0 H ALA A 13 27.858 -14.674 -0.340 1.00 2.14 H new ATOM 0 HA ALA A 13 27.594 -15.213 2.412 1.00 22.53 H new ATOM 0 HB1 ALA A 13 25.185 -14.900 1.957 1.00 33.33 H new ATOM 0 HB2 ALA A 13 26.173 -13.644 1.174 1.00 33.33 H new ATOM 0 HB3 ALA A 13 25.511 -14.985 0.209 1.00 33.33 H new ATOM 191 N LYS A 14 27.254 -17.640 2.632 1.00 53.43 N ATOM 192 CA LYS A 14 26.993 -19.059 2.839 1.00 72.24 C ATOM 193 C LYS A 14 25.500 -19.318 3.013 1.00 73.21 C ATOM 194 O LYS A 14 24.725 -18.396 3.271 1.00 44.12 O ATOM 195 CB LYS A 14 27.756 -19.566 4.065 1.00 53.42 C ATOM 196 CG LYS A 14 29.156 -20.060 3.748 1.00 5.01 C ATOM 197 CD LYS A 14 30.149 -18.912 3.674 1.00 24.20 C ATOM 198 CE LYS A 14 31.382 -19.293 2.868 1.00 1.32 C ATOM 199 NZ LYS A 14 32.186 -20.345 3.548 1.00 22.44 N ATOM 0 H LYS A 14 27.775 -17.193 3.387 1.00 53.43 H new ATOM 0 HA LYS A 14 27.337 -19.598 1.956 1.00 72.24 H new ATOM 0 HB2 LYS A 14 27.821 -18.764 4.800 1.00 53.42 H new ATOM 0 HB3 LYS A 14 27.190 -20.375 4.526 1.00 53.42 H new ATOM 0 HG2 LYS A 14 29.474 -20.769 4.512 1.00 5.01 H new ATOM 0 HG3 LYS A 14 29.147 -20.597 2.799 1.00 5.01 H new ATOM 0 HD2 LYS A 14 29.670 -18.044 3.220 1.00 24.20 H new ATOM 0 HD3 LYS A 14 30.447 -18.622 4.681 1.00 24.20 H new ATOM 0 HE2 LYS A 14 31.077 -19.649 1.884 1.00 1.32 H new ATOM 0 HE3 LYS A 14 32.000 -18.409 2.710 1.00 1.32 H new ATOM 0 HZ1 LYS A 14 33.017 -20.577 2.967 1.00 22.44 H new ATOM 0 HZ2 LYS A 14 32.499 -19.997 4.477 1.00 22.44 H new ATOM 0 HZ3 LYS A 14 31.605 -21.198 3.676 1.00 22.44 H new ATOM 213 N HIS A 15 25.102 -20.579 2.872 1.00 11.31 N ATOM 214 CA HIS A 15 23.701 -20.959 3.016 1.00 1.13 C ATOM 215 C HIS A 15 23.180 -20.597 4.404 1.00 51.53 C ATOM 216 O HIS A 15 23.654 -21.119 5.412 1.00 75.33 O ATOM 217 CB HIS A 15 23.530 -22.458 2.770 1.00 73.11 C ATOM 218 CG HIS A 15 23.982 -22.897 1.411 1.00 21.34 C ATOM 219 ND1 HIS A 15 25.152 -23.594 1.197 1.00 64.23 N ATOM 220 CD2 HIS A 15 23.413 -22.737 0.194 1.00 50.52 C ATOM 221 CE1 HIS A 15 25.284 -23.842 -0.094 1.00 45.43 C ATOM 222 NE2 HIS A 15 24.242 -23.332 -0.725 1.00 12.10 N ATOM 0 H HIS A 15 25.730 -21.354 2.658 1.00 11.31 H new ATOM 0 HA HIS A 15 23.122 -20.408 2.275 1.00 1.13 H new ATOM 0 HB2 HIS A 15 24.091 -23.008 3.526 1.00 73.11 H new ATOM 0 HB3 HIS A 15 22.480 -22.721 2.897 1.00 73.11 H new ATOM 0 HD2 HIS A 15 22.480 -22.235 -0.016 1.00 50.52 H new ATOM 0 HE1 HIS A 15 26.105 -24.372 -0.555 1.00 45.43 H new ATOM 0 HE2 HIS A 15 24.079 -23.373 -1.731 1.00 12.10 H new ATOM 230 N GLY A 16 22.202 -19.697 4.447 1.00 13.11 N ATOM 231 CA GLY A 16 21.633 -19.280 5.716 1.00 44.45 C ATOM 232 C GLY A 16 22.088 -17.893 6.126 1.00 30.24 C ATOM 233 O GLY A 16 21.822 -17.449 7.244 1.00 71.41 O ATOM 0 H GLY A 16 21.794 -19.249 3.626 1.00 13.11 H new ATOM 0 HA2 GLY A 16 20.545 -19.297 5.646 1.00 44.45 H new ATOM 0 HA3 GLY A 16 21.914 -19.995 6.489 1.00 44.45 H new ATOM 237 N THR A 17 22.778 -17.206 5.221 1.00 1.25 N ATOM 238 CA THR A 17 23.273 -15.863 5.496 1.00 3.03 C ATOM 239 C THR A 17 22.141 -14.843 5.471 1.00 75.30 C ATOM 240 O THR A 17 21.211 -14.953 4.671 1.00 12.03 O ATOM 241 CB THR A 17 24.350 -15.442 4.479 1.00 64.24 C ATOM 242 OG1 THR A 17 25.492 -16.300 4.591 1.00 52.44 O ATOM 243 CG2 THR A 17 24.771 -13.998 4.702 1.00 40.50 C ATOM 0 H THR A 17 23.007 -17.558 4.291 1.00 1.25 H new ATOM 0 HA THR A 17 23.714 -15.887 6.492 1.00 3.03 H new ATOM 0 HB THR A 17 23.927 -15.530 3.478 1.00 64.24 H new ATOM 0 HG1 THR A 17 25.253 -17.203 4.294 1.00 52.44 H new ATOM 0 HG21 THR A 17 25.532 -13.724 3.972 1.00 40.50 H new ATOM 0 HG22 THR A 17 23.906 -13.345 4.587 1.00 40.50 H new ATOM 0 HG23 THR A 17 25.177 -13.889 5.708 1.00 40.50 H new ATOM 251 N PHE A 18 22.224 -13.851 6.351 1.00 44.34 N ATOM 252 CA PHE A 18 21.205 -12.811 6.429 1.00 3.41 C ATOM 253 C PHE A 18 21.298 -11.867 5.233 1.00 31.14 C ATOM 254 O PHE A 18 22.368 -11.343 4.923 1.00 71.41 O ATOM 255 CB PHE A 18 21.353 -12.019 7.730 1.00 22.22 C ATOM 256 CG PHE A 18 20.591 -10.725 7.735 1.00 50.04 C ATOM 257 CD1 PHE A 18 19.275 -10.679 7.304 1.00 71.31 C ATOM 258 CD2 PHE A 18 21.191 -9.554 8.169 1.00 51.11 C ATOM 259 CE1 PHE A 18 18.570 -9.490 7.307 1.00 65.01 C ATOM 260 CE2 PHE A 18 20.491 -8.362 8.175 1.00 44.03 C ATOM 261 CZ PHE A 18 19.180 -8.330 7.742 1.00 0.30 C ATOM 0 H PHE A 18 22.986 -13.745 7.020 1.00 44.34 H new ATOM 0 HA PHE A 18 20.228 -13.293 6.414 1.00 3.41 H new ATOM 0 HB2 PHE A 18 21.012 -12.635 8.562 1.00 22.22 H new ATOM 0 HB3 PHE A 18 22.409 -11.810 7.900 1.00 22.22 H new ATOM 0 HD1 PHE A 18 18.794 -11.583 6.961 1.00 71.31 H new ATOM 0 HD2 PHE A 18 22.217 -9.573 8.506 1.00 51.11 H new ATOM 0 HE1 PHE A 18 17.544 -9.468 6.970 1.00 65.01 H new ATOM 0 HE2 PHE A 18 20.969 -7.456 8.518 1.00 44.03 H new ATOM 0 HZ PHE A 18 18.633 -7.399 7.744 1.00 0.30 H new ATOM 271 N VAL A 19 20.168 -11.656 4.565 1.00 4.52 N ATOM 272 CA VAL A 19 20.121 -10.775 3.404 1.00 74.31 C ATOM 273 C VAL A 19 19.343 -9.501 3.712 1.00 2.41 C ATOM 274 O VAL A 19 19.849 -8.394 3.532 1.00 52.34 O ATOM 275 CB VAL A 19 19.476 -11.477 2.194 1.00 55.00 C ATOM 276 CG1 VAL A 19 19.531 -10.582 0.965 1.00 12.14 C ATOM 277 CG2 VAL A 19 20.159 -12.809 1.924 1.00 31.15 C ATOM 0 H VAL A 19 19.274 -12.083 4.808 1.00 4.52 H new ATOM 0 HA VAL A 19 21.152 -10.518 3.160 1.00 74.31 H new ATOM 0 HB VAL A 19 18.429 -11.672 2.426 1.00 55.00 H new ATOM 0 HG11 VAL A 19 19.071 -11.095 0.120 1.00 12.14 H new ATOM 0 HG12 VAL A 19 18.992 -9.656 1.165 1.00 12.14 H new ATOM 0 HG13 VAL A 19 20.570 -10.353 0.728 1.00 12.14 H new ATOM 0 HG21 VAL A 19 19.690 -13.291 1.066 1.00 31.15 H new ATOM 0 HG22 VAL A 19 21.215 -12.640 1.713 1.00 31.15 H new ATOM 0 HG23 VAL A 19 20.062 -13.452 2.799 1.00 31.15 H new ATOM 287 N GLY A 20 18.109 -9.665 4.179 1.00 2.44 N ATOM 288 CA GLY A 20 17.281 -8.518 4.506 1.00 22.41 C ATOM 289 C GLY A 20 15.854 -8.909 4.836 1.00 23.21 C ATOM 290 O GLY A 20 15.175 -9.543 4.029 1.00 73.04 O ATOM 0 H GLY A 20 17.668 -10.571 4.337 1.00 2.44 H new ATOM 0 HA2 GLY A 20 17.716 -7.990 5.355 1.00 22.41 H new ATOM 0 HA3 GLY A 20 17.279 -7.824 3.666 1.00 22.41 H new ATOM 294 N ARG A 21 15.399 -8.532 6.027 1.00 64.15 N ATOM 295 CA ARG A 21 14.045 -8.850 6.462 1.00 11.35 C ATOM 296 C ARG A 21 13.028 -8.494 5.382 1.00 44.43 C ATOM 297 O ARG A 21 12.680 -7.326 5.204 1.00 13.04 O ATOM 298 CB ARG A 21 13.714 -8.102 7.755 1.00 11.23 C ATOM 299 CG ARG A 21 14.688 -8.383 8.888 1.00 50.52 C ATOM 300 CD ARG A 21 14.873 -7.164 9.778 1.00 4.21 C ATOM 301 NE ARG A 21 15.334 -7.528 11.115 1.00 1.33 N ATOM 302 CZ ARG A 21 15.385 -6.675 12.133 1.00 72.04 C ATOM 303 NH1 ARG A 21 15.005 -5.416 11.966 1.00 13.20 N ATOM 304 NH2 ARG A 21 15.816 -7.082 13.320 1.00 51.41 N ATOM 0 H ARG A 21 15.948 -8.006 6.707 1.00 64.15 H new ATOM 0 HA ARG A 21 13.992 -9.923 6.646 1.00 11.35 H new ATOM 0 HB2 ARG A 21 13.704 -7.031 7.553 1.00 11.23 H new ATOM 0 HB3 ARG A 21 12.709 -8.375 8.075 1.00 11.23 H new ATOM 0 HG2 ARG A 21 14.322 -9.219 9.485 1.00 50.52 H new ATOM 0 HG3 ARG A 21 15.651 -8.683 8.475 1.00 50.52 H new ATOM 0 HD2 ARG A 21 15.592 -6.486 9.319 1.00 4.21 H new ATOM 0 HD3 ARG A 21 13.929 -6.624 9.854 1.00 4.21 H new ATOM 0 HE ARG A 21 15.633 -8.490 11.276 1.00 1.33 H new ATOM 0 HH11 ARG A 21 14.673 -5.100 11.055 1.00 13.20 H new ATOM 0 HH12 ARG A 21 15.045 -4.763 12.749 1.00 13.20 H new ATOM 0 HH21 ARG A 21 16.109 -8.050 13.452 1.00 51.41 H new ATOM 0 HH22 ARG A 21 15.855 -6.427 14.101 1.00 51.41 H new ATOM 318 N ILE A 22 12.558 -9.507 4.663 1.00 52.15 N ATOM 319 CA ILE A 22 11.581 -9.300 3.600 1.00 23.52 C ATOM 320 C ILE A 22 10.245 -8.831 4.165 1.00 1.13 C ATOM 321 O ILE A 22 9.610 -7.931 3.617 1.00 75.11 O ATOM 322 CB ILE A 22 11.357 -10.587 2.784 1.00 70.11 C ATOM 323 CG1 ILE A 22 10.232 -10.382 1.767 1.00 63.30 C ATOM 324 CG2 ILE A 22 11.037 -11.752 3.709 1.00 53.13 C ATOM 325 CD1 ILE A 22 10.266 -11.369 0.621 1.00 24.54 C ATOM 0 H ILE A 22 12.837 -10.479 4.796 1.00 52.15 H new ATOM 0 HA ILE A 22 11.986 -8.529 2.944 1.00 23.52 H new ATOM 0 HB ILE A 22 12.273 -10.821 2.242 1.00 70.11 H new ATOM 0 HG12 ILE A 22 9.272 -10.463 2.278 1.00 63.30 H new ATOM 0 HG13 ILE A 22 10.295 -9.370 1.366 1.00 63.30 H new ATOM 0 HG21 ILE A 22 10.881 -12.654 3.117 1.00 53.13 H new ATOM 0 HG22 ILE A 22 11.867 -11.908 4.398 1.00 53.13 H new ATOM 0 HG23 ILE A 22 10.133 -11.529 4.275 1.00 53.13 H new ATOM 0 HD11 ILE A 22 9.440 -11.164 -0.060 1.00 24.54 H new ATOM 0 HD12 ILE A 22 11.211 -11.273 0.086 1.00 24.54 H new ATOM 0 HD13 ILE A 22 10.172 -12.383 1.011 1.00 24.54 H new ATOM 337 N ALA A 23 9.826 -9.446 5.267 1.00 52.55 N ATOM 338 CA ALA A 23 8.567 -9.088 5.909 1.00 42.12 C ATOM 339 C ALA A 23 8.653 -7.709 6.555 1.00 72.14 C ATOM 340 O ALA A 23 7.795 -6.856 6.332 1.00 54.33 O ATOM 341 CB ALA A 23 8.187 -10.135 6.945 1.00 60.42 C ATOM 0 H ALA A 23 10.340 -10.194 5.733 1.00 52.55 H new ATOM 0 HA ALA A 23 7.793 -9.054 5.142 1.00 42.12 H new ATOM 0 HB1 ALA A 23 7.245 -9.855 7.417 1.00 60.42 H new ATOM 0 HB2 ALA A 23 8.076 -11.104 6.459 1.00 60.42 H new ATOM 0 HB3 ALA A 23 8.968 -10.197 7.703 1.00 60.42 H new ATOM 347 N GLN A 24 9.693 -7.499 7.355 1.00 34.34 N ATOM 348 CA GLN A 24 9.888 -6.224 8.034 1.00 2.23 C ATOM 349 C GLN A 24 9.889 -5.071 7.036 1.00 3.54 C ATOM 350 O GLN A 24 9.324 -4.009 7.299 1.00 3.23 O ATOM 351 CB GLN A 24 11.201 -6.236 8.819 1.00 1.12 C ATOM 352 CG GLN A 24 11.183 -5.342 10.049 1.00 41.14 C ATOM 353 CD GLN A 24 10.602 -6.035 11.266 1.00 42.45 C ATOM 354 OE1 GLN A 24 9.631 -5.563 11.858 1.00 23.12 O ATOM 355 NE2 GLN A 24 11.195 -7.161 11.645 1.00 13.21 N ATOM 0 H GLN A 24 10.413 -8.195 7.549 1.00 34.34 H new ATOM 0 HA GLN A 24 9.060 -6.080 8.728 1.00 2.23 H new ATOM 0 HB2 GLN A 24 11.422 -7.258 9.126 1.00 1.12 H new ATOM 0 HB3 GLN A 24 12.011 -5.919 8.162 1.00 1.12 H new ATOM 0 HG2 GLN A 24 12.199 -5.016 10.272 1.00 41.14 H new ATOM 0 HG3 GLN A 24 10.601 -4.446 9.834 1.00 41.14 H new ATOM 0 HE21 GLN A 24 11.997 -7.515 11.124 1.00 13.21 H new ATOM 0 HE22 GLN A 24 10.848 -7.672 12.457 1.00 13.21 H new ATOM 364 N ASP A 25 10.527 -5.286 5.891 1.00 24.24 N ATOM 365 CA ASP A 25 10.601 -4.265 4.853 1.00 5.22 C ATOM 366 C ASP A 25 9.272 -4.142 4.116 1.00 14.30 C ATOM 367 O ASP A 25 8.916 -3.067 3.629 1.00 23.45 O ATOM 368 CB ASP A 25 11.719 -4.594 3.863 1.00 63.23 C ATOM 369 CG ASP A 25 13.087 -4.608 4.517 1.00 40.54 C ATOM 370 OD1 ASP A 25 13.214 -4.069 5.636 1.00 43.32 O ATOM 371 OD2 ASP A 25 14.030 -5.156 3.909 1.00 44.01 O ATOM 0 H ASP A 25 11.001 -6.159 5.658 1.00 24.24 H new ATOM 0 HA ASP A 25 10.820 -3.311 5.332 1.00 5.22 H new ATOM 0 HB2 ASP A 25 11.526 -5.567 3.411 1.00 63.23 H new ATOM 0 HB3 ASP A 25 11.713 -3.861 3.056 1.00 63.23 H new ATOM 376 N LEU A 26 8.541 -5.248 4.036 1.00 31.21 N ATOM 377 CA LEU A 26 7.250 -5.265 3.357 1.00 32.21 C ATOM 378 C LEU A 26 6.193 -4.534 4.178 1.00 0.54 C ATOM 379 O LEU A 26 5.354 -3.818 3.633 1.00 3.51 O ATOM 380 CB LEU A 26 6.805 -6.706 3.100 1.00 23.14 C ATOM 381 CG LEU A 26 6.954 -7.208 1.664 1.00 74.52 C ATOM 382 CD1 LEU A 26 8.381 -7.018 1.176 1.00 4.24 C ATOM 383 CD2 LEU A 26 6.545 -8.671 1.565 1.00 23.15 C ATOM 0 H LEU A 26 8.820 -6.145 4.433 1.00 31.21 H new ATOM 0 HA LEU A 26 7.363 -4.750 2.403 1.00 32.21 H new ATOM 0 HB2 LEU A 26 7.376 -7.364 3.755 1.00 23.14 H new ATOM 0 HB3 LEU A 26 5.758 -6.799 3.389 1.00 23.14 H new ATOM 0 HG LEU A 26 6.293 -6.622 1.025 1.00 74.52 H new ATOM 0 HD11 LEU A 26 8.467 -7.381 0.152 1.00 4.24 H new ATOM 0 HD12 LEU A 26 8.639 -5.959 1.208 1.00 4.24 H new ATOM 0 HD13 LEU A 26 9.062 -7.577 1.818 1.00 4.24 H new ATOM 0 HD21 LEU A 26 6.657 -9.011 0.536 1.00 23.15 H new ATOM 0 HD22 LEU A 26 7.180 -9.271 2.217 1.00 23.15 H new ATOM 0 HD23 LEU A 26 5.505 -8.779 1.871 1.00 23.15 H new ATOM 395 N GLY A 27 6.241 -4.717 5.494 1.00 24.44 N ATOM 396 CA GLY A 27 5.284 -4.067 6.370 1.00 43.40 C ATOM 397 C GLY A 27 4.061 -4.923 6.631 1.00 61.25 C ATOM 398 O GLY A 27 2.932 -4.433 6.594 1.00 34.24 O ATOM 0 H GLY A 27 6.926 -5.304 5.969 1.00 24.44 H new ATOM 0 HA2 GLY A 27 5.767 -3.830 7.318 1.00 43.40 H new ATOM 0 HA3 GLY A 27 4.973 -3.121 5.926 1.00 43.40 H new ATOM 402 N LEU A 28 4.284 -6.206 6.892 1.00 23.33 N ATOM 403 CA LEU A 28 3.191 -7.134 7.158 1.00 33.34 C ATOM 404 C LEU A 28 3.457 -7.940 8.426 1.00 74.11 C ATOM 405 O LEU A 28 4.605 -8.115 8.832 1.00 60.14 O ATOM 406 CB LEU A 28 2.997 -8.079 5.971 1.00 21.10 C ATOM 407 CG LEU A 28 3.716 -7.689 4.679 1.00 74.12 C ATOM 408 CD1 LEU A 28 3.651 -8.824 3.669 1.00 55.15 C ATOM 409 CD2 LEU A 28 3.114 -6.419 4.096 1.00 15.23 C ATOM 0 H LEU A 28 5.212 -6.628 6.925 1.00 23.33 H new ATOM 0 HA LEU A 28 2.281 -6.552 7.303 1.00 33.34 H new ATOM 0 HB2 LEU A 28 3.334 -9.073 6.265 1.00 21.10 H new ATOM 0 HB3 LEU A 28 1.930 -8.153 5.761 1.00 21.10 H new ATOM 0 HG LEU A 28 4.763 -7.497 4.912 1.00 74.12 H new ATOM 0 HD11 LEU A 28 4.168 -8.529 2.756 1.00 55.15 H new ATOM 0 HD12 LEU A 28 4.129 -9.710 4.086 1.00 55.15 H new ATOM 0 HD13 LEU A 28 2.609 -9.048 3.440 1.00 55.15 H new ATOM 0 HD21 LEU A 28 3.638 -6.157 3.177 1.00 15.23 H new ATOM 0 HD22 LEU A 28 2.059 -6.583 3.878 1.00 15.23 H new ATOM 0 HD23 LEU A 28 3.213 -5.606 4.815 1.00 15.23 H new ATOM 421 N GLU A 29 2.387 -8.430 9.045 1.00 11.21 N ATOM 422 CA GLU A 29 2.506 -9.218 10.266 1.00 70.42 C ATOM 423 C GLU A 29 3.193 -10.552 9.987 1.00 23.02 C ATOM 424 O GLU A 29 3.035 -11.132 8.912 1.00 31.43 O ATOM 425 CB GLU A 29 1.125 -9.462 10.879 1.00 43.12 C ATOM 426 CG GLU A 29 1.038 -9.088 12.349 1.00 54.11 C ATOM 427 CD GLU A 29 -0.224 -9.609 13.009 1.00 21.42 C ATOM 428 OE1 GLU A 29 -0.299 -10.829 13.267 1.00 3.22 O ATOM 429 OE2 GLU A 29 -1.137 -8.797 13.268 1.00 24.02 O ATOM 0 H GLU A 29 1.429 -8.295 8.721 1.00 11.21 H new ATOM 0 HA GLU A 29 3.115 -8.655 10.973 1.00 70.42 H new ATOM 0 HB2 GLU A 29 0.383 -8.889 10.322 1.00 43.12 H new ATOM 0 HB3 GLU A 29 0.867 -10.515 10.764 1.00 43.12 H new ATOM 0 HG2 GLU A 29 1.908 -9.484 12.873 1.00 54.11 H new ATOM 0 HG3 GLU A 29 1.074 -8.003 12.447 1.00 54.11 H new ATOM 436 N LEU A 30 3.957 -11.032 10.962 1.00 22.11 N ATOM 437 CA LEU A 30 4.670 -12.297 10.823 1.00 20.31 C ATOM 438 C LEU A 30 3.694 -13.466 10.743 1.00 74.44 C ATOM 439 O LEU A 30 3.874 -14.387 9.944 1.00 14.42 O ATOM 440 CB LEU A 30 5.628 -12.498 11.999 1.00 14.31 C ATOM 441 CG LEU A 30 6.840 -13.391 11.733 1.00 73.01 C ATOM 442 CD1 LEU A 30 6.398 -14.816 11.440 1.00 62.51 C ATOM 443 CD2 LEU A 30 7.666 -12.839 10.580 1.00 21.14 C ATOM 0 H LEU A 30 4.099 -10.564 11.857 1.00 22.11 H new ATOM 0 HA LEU A 30 5.244 -12.262 9.897 1.00 20.31 H new ATOM 0 HB2 LEU A 30 5.986 -11.520 12.321 1.00 14.31 H new ATOM 0 HB3 LEU A 30 5.066 -12.921 12.831 1.00 14.31 H new ATOM 0 HG LEU A 30 7.463 -13.402 12.627 1.00 73.01 H new ATOM 0 HD11 LEU A 30 7.274 -15.437 11.253 1.00 62.51 H new ATOM 0 HD12 LEU A 30 5.849 -15.210 12.296 1.00 62.51 H new ATOM 0 HD13 LEU A 30 5.753 -14.824 10.561 1.00 62.51 H new ATOM 0 HD21 LEU A 30 8.525 -13.487 10.405 1.00 21.14 H new ATOM 0 HD22 LEU A 30 7.053 -12.798 9.680 1.00 21.14 H new ATOM 0 HD23 LEU A 30 8.013 -11.836 10.829 1.00 21.14 H new ATOM 455 N THR A 31 2.657 -13.423 11.574 1.00 71.42 N ATOM 456 CA THR A 31 1.651 -14.478 11.596 1.00 1.24 C ATOM 457 C THR A 31 0.595 -14.254 10.520 1.00 2.50 C ATOM 458 O THR A 31 -0.368 -15.012 10.416 1.00 13.21 O ATOM 459 CB THR A 31 0.958 -14.564 12.969 1.00 1.23 C ATOM 460 OG1 THR A 31 0.696 -13.248 13.469 1.00 3.23 O ATOM 461 CG2 THR A 31 1.820 -15.327 13.964 1.00 72.55 C ATOM 0 H THR A 31 2.492 -12.669 12.241 1.00 71.42 H new ATOM 0 HA THR A 31 2.172 -15.415 11.400 1.00 1.24 H new ATOM 0 HB THR A 31 0.017 -15.099 12.843 1.00 1.23 H new ATOM 0 HG1 THR A 31 0.172 -12.746 12.810 1.00 3.23 H new ATOM 0 HG21 THR A 31 1.310 -15.375 14.926 1.00 72.55 H new ATOM 0 HG22 THR A 31 1.994 -16.338 13.595 1.00 72.55 H new ATOM 0 HG23 THR A 31 2.775 -14.816 14.085 1.00 72.55 H new ATOM 469 N GLU A 32 0.784 -13.208 9.721 1.00 51.00 N ATOM 470 CA GLU A 32 -0.154 -12.885 8.652 1.00 30.12 C ATOM 471 C GLU A 32 0.312 -13.473 7.323 1.00 30.13 C ATOM 472 O GLU A 32 -0.453 -13.545 6.361 1.00 73.12 O ATOM 473 CB GLU A 32 -0.313 -11.369 8.524 1.00 41.33 C ATOM 474 CG GLU A 32 -1.395 -10.792 9.421 1.00 52.13 C ATOM 475 CD GLU A 32 -1.720 -9.348 9.089 1.00 73.55 C ATOM 476 OE1 GLU A 32 -1.070 -8.787 8.182 1.00 13.35 O ATOM 477 OE2 GLU A 32 -2.626 -8.781 9.735 1.00 24.03 O ATOM 0 H GLU A 32 1.577 -12.571 9.794 1.00 51.00 H new ATOM 0 HA GLU A 32 -1.119 -13.324 8.905 1.00 30.12 H new ATOM 0 HB2 GLU A 32 0.637 -10.891 8.762 1.00 41.33 H new ATOM 0 HB3 GLU A 32 -0.543 -11.123 7.487 1.00 41.33 H new ATOM 0 HG2 GLU A 32 -2.299 -11.395 9.328 1.00 52.13 H new ATOM 0 HG3 GLU A 32 -1.074 -10.858 10.460 1.00 52.13 H new ATOM 484 N LEU A 33 1.572 -13.892 7.278 1.00 51.41 N ATOM 485 CA LEU A 33 2.142 -14.473 6.067 1.00 32.14 C ATOM 486 C LEU A 33 1.502 -15.823 5.758 1.00 0.24 C ATOM 487 O LEU A 33 1.243 -16.148 4.600 1.00 64.44 O ATOM 488 CB LEU A 33 3.655 -14.636 6.220 1.00 61.01 C ATOM 489 CG LEU A 33 4.438 -13.364 6.547 1.00 54.30 C ATOM 490 CD1 LEU A 33 5.587 -13.672 7.494 1.00 34.43 C ATOM 491 CD2 LEU A 33 4.955 -12.713 5.272 1.00 30.33 C ATOM 0 H LEU A 33 2.218 -13.840 8.066 1.00 51.41 H new ATOM 0 HA LEU A 33 1.938 -13.796 5.237 1.00 32.14 H new ATOM 0 HB2 LEU A 33 3.844 -15.367 7.006 1.00 61.01 H new ATOM 0 HB3 LEU A 33 4.051 -15.054 5.294 1.00 61.01 H new ATOM 0 HG LEU A 33 3.765 -12.664 7.042 1.00 54.30 H new ATOM 0 HD11 LEU A 33 6.132 -12.754 7.715 1.00 34.43 H new ATOM 0 HD12 LEU A 33 5.193 -14.092 8.420 1.00 34.43 H new ATOM 0 HD13 LEU A 33 6.260 -14.391 7.027 1.00 34.43 H new ATOM 0 HD21 LEU A 33 5.510 -11.809 5.524 1.00 30.33 H new ATOM 0 HD22 LEU A 33 5.612 -13.408 4.749 1.00 30.33 H new ATOM 0 HD23 LEU A 33 4.114 -12.455 4.628 1.00 30.33 H new ATOM 503 N VAL A 34 1.247 -16.604 6.803 1.00 21.21 N ATOM 504 CA VAL A 34 0.634 -17.918 6.644 1.00 2.50 C ATOM 505 C VAL A 34 -0.653 -17.828 5.833 1.00 74.44 C ATOM 506 O VAL A 34 -0.801 -18.457 4.785 1.00 61.44 O ATOM 507 CB VAL A 34 0.325 -18.561 8.009 1.00 74.55 C ATOM 508 CG1 VAL A 34 -0.897 -19.462 7.909 1.00 22.51 C ATOM 509 CG2 VAL A 34 1.530 -19.338 8.517 1.00 41.25 C ATOM 0 H VAL A 34 1.455 -16.350 7.769 1.00 21.21 H new ATOM 0 HA VAL A 34 1.352 -18.541 6.112 1.00 2.50 H new ATOM 0 HB VAL A 34 0.106 -17.768 8.724 1.00 74.55 H new ATOM 0 HG11 VAL A 34 -1.101 -19.908 8.882 1.00 22.51 H new ATOM 0 HG12 VAL A 34 -1.758 -18.874 7.592 1.00 22.51 H new ATOM 0 HG13 VAL A 34 -0.709 -20.251 7.181 1.00 22.51 H new ATOM 0 HG21 VAL A 34 1.294 -19.786 9.482 1.00 41.25 H new ATOM 0 HG22 VAL A 34 1.783 -20.124 7.805 1.00 41.25 H new ATOM 0 HG23 VAL A 34 2.378 -18.662 8.628 1.00 41.25 H new ATOM 519 N PRO A 35 -1.610 -17.028 6.326 1.00 4.23 N ATOM 520 CA PRO A 35 -2.902 -16.836 5.662 1.00 13.02 C ATOM 521 C PRO A 35 -2.775 -16.047 4.364 1.00 75.05 C ATOM 522 O PRO A 35 -3.689 -16.041 3.538 1.00 21.11 O ATOM 523 CB PRO A 35 -3.716 -16.046 6.691 1.00 44.15 C ATOM 524 CG PRO A 35 -2.697 -15.337 7.515 1.00 54.21 C ATOM 525 CD PRO A 35 -1.502 -16.248 7.571 1.00 53.34 C ATOM 0 HA PRO A 35 -3.357 -17.784 5.375 1.00 13.02 H new ATOM 0 HB2 PRO A 35 -4.392 -15.342 6.205 1.00 44.15 H new ATOM 0 HB3 PRO A 35 -4.330 -16.707 7.303 1.00 44.15 H new ATOM 0 HG2 PRO A 35 -2.435 -14.377 7.070 1.00 54.21 H new ATOM 0 HG3 PRO A 35 -3.078 -15.132 8.515 1.00 54.21 H new ATOM 0 HD2 PRO A 35 -0.569 -15.685 7.613 1.00 53.34 H new ATOM 0 HD3 PRO A 35 -1.527 -16.890 8.451 1.00 53.34 H new ATOM 533 N ARG A 36 -1.638 -15.383 4.189 1.00 44.13 N ATOM 534 CA ARG A 36 -1.392 -14.590 2.990 1.00 12.02 C ATOM 535 C ARG A 36 -0.749 -15.440 1.898 1.00 33.02 C ATOM 536 O ARG A 36 -0.394 -14.935 0.832 1.00 23.52 O ATOM 537 CB ARG A 36 -0.493 -13.396 3.318 1.00 72.42 C ATOM 538 CG ARG A 36 -1.259 -12.107 3.566 1.00 61.11 C ATOM 539 CD ARG A 36 -2.462 -12.338 4.467 1.00 70.42 C ATOM 540 NE ARG A 36 -2.704 -11.207 5.358 1.00 22.13 N ATOM 541 CZ ARG A 36 -3.759 -11.115 6.159 1.00 34.24 C ATOM 542 NH1 ARG A 36 -4.666 -12.083 6.181 1.00 43.33 N ATOM 543 NH2 ARG A 36 -3.910 -10.054 6.942 1.00 64.21 N ATOM 0 H ARG A 36 -0.872 -15.378 4.862 1.00 44.13 H new ATOM 0 HA ARG A 36 -2.351 -14.224 2.624 1.00 12.02 H new ATOM 0 HB2 ARG A 36 0.101 -13.631 4.201 1.00 72.42 H new ATOM 0 HB3 ARG A 36 0.205 -13.241 2.496 1.00 72.42 H new ATOM 0 HG2 ARG A 36 -0.597 -11.371 4.023 1.00 61.11 H new ATOM 0 HG3 ARG A 36 -1.590 -11.691 2.615 1.00 61.11 H new ATOM 0 HD2 ARG A 36 -3.346 -12.512 3.854 1.00 70.42 H new ATOM 0 HD3 ARG A 36 -2.303 -13.239 5.060 1.00 70.42 H new ATOM 0 HE ARG A 36 -2.025 -10.446 5.366 1.00 22.13 H new ATOM 0 HH11 ARG A 36 -4.554 -12.901 5.582 1.00 43.33 H new ATOM 0 HH12 ARG A 36 -5.475 -12.010 6.797 1.00 43.33 H new ATOM 0 HH21 ARG A 36 -3.215 -9.308 6.929 1.00 64.21 H new ATOM 0 HH22 ARG A 36 -4.721 -9.985 7.557 1.00 64.21 H new ATOM 557 N LEU A 37 -0.603 -16.732 2.171 1.00 43.12 N ATOM 558 CA LEU A 37 -0.002 -17.653 1.212 1.00 52.20 C ATOM 559 C LEU A 37 1.281 -17.071 0.628 1.00 3.23 C ATOM 560 O LEU A 37 1.424 -16.952 -0.589 1.00 22.13 O ATOM 561 CB LEU A 37 -0.991 -17.966 0.088 1.00 60.03 C ATOM 562 CG LEU A 37 -1.970 -19.110 0.354 1.00 23.30 C ATOM 563 CD1 LEU A 37 -1.230 -20.436 0.441 1.00 21.13 C ATOM 564 CD2 LEU A 37 -2.758 -18.852 1.630 1.00 24.11 C ATOM 0 H LEU A 37 -0.892 -17.165 3.048 1.00 43.12 H new ATOM 0 HA LEU A 37 0.246 -18.575 1.738 1.00 52.20 H new ATOM 0 HB2 LEU A 37 -1.566 -17.065 -0.124 1.00 60.03 H new ATOM 0 HB3 LEU A 37 -0.424 -18.202 -0.812 1.00 60.03 H new ATOM 0 HG LEU A 37 -2.672 -19.163 -0.478 1.00 23.30 H new ATOM 0 HD11 LEU A 37 -1.943 -21.239 0.631 1.00 21.13 H new ATOM 0 HD12 LEU A 37 -0.712 -20.626 -0.499 1.00 21.13 H new ATOM 0 HD13 LEU A 37 -0.505 -20.395 1.254 1.00 21.13 H new ATOM 0 HD21 LEU A 37 -3.450 -19.676 1.803 1.00 24.11 H new ATOM 0 HD22 LEU A 37 -2.071 -18.772 2.472 1.00 24.11 H new ATOM 0 HD23 LEU A 37 -3.319 -17.923 1.530 1.00 24.11 H new ATOM 576 N PHE A 38 2.214 -16.711 1.504 1.00 34.14 N ATOM 577 CA PHE A 38 3.486 -16.143 1.076 1.00 4.21 C ATOM 578 C PHE A 38 4.302 -17.165 0.290 1.00 33.41 C ATOM 579 O PHE A 38 4.441 -18.316 0.706 1.00 53.15 O ATOM 580 CB PHE A 38 4.286 -15.658 2.287 1.00 22.43 C ATOM 581 CG PHE A 38 5.115 -14.437 2.009 1.00 32.00 C ATOM 582 CD1 PHE A 38 4.548 -13.174 2.057 1.00 42.51 C ATOM 583 CD2 PHE A 38 6.460 -14.552 1.699 1.00 63.41 C ATOM 584 CE1 PHE A 38 5.308 -12.047 1.802 1.00 70.43 C ATOM 585 CE2 PHE A 38 7.225 -13.430 1.443 1.00 21.03 C ATOM 586 CZ PHE A 38 6.648 -12.176 1.493 1.00 20.15 C ATOM 0 H PHE A 38 2.112 -16.803 2.515 1.00 34.14 H new ATOM 0 HA PHE A 38 3.275 -15.295 0.425 1.00 4.21 H new ATOM 0 HB2 PHE A 38 3.598 -15.441 3.104 1.00 22.43 H new ATOM 0 HB3 PHE A 38 4.940 -16.462 2.626 1.00 22.43 H new ATOM 0 HD1 PHE A 38 3.500 -13.068 2.296 1.00 42.51 H new ATOM 0 HD2 PHE A 38 6.916 -15.530 1.657 1.00 63.41 H new ATOM 0 HE1 PHE A 38 4.854 -11.068 1.844 1.00 70.43 H new ATOM 0 HE2 PHE A 38 8.273 -13.534 1.204 1.00 21.03 H new ATOM 0 HZ PHE A 38 7.244 -11.298 1.291 1.00 20.15 H new ATOM 596 N ARG A 39 4.838 -16.737 -0.848 1.00 71.00 N ATOM 597 CA ARG A 39 5.638 -17.615 -1.694 1.00 13.13 C ATOM 598 C ARG A 39 6.689 -16.819 -2.462 1.00 72.55 C ATOM 599 O ARG A 39 6.417 -15.724 -2.954 1.00 0.12 O ATOM 600 CB ARG A 39 4.739 -18.373 -2.673 1.00 1.51 C ATOM 601 CG ARG A 39 4.339 -19.756 -2.187 1.00 23.11 C ATOM 602 CD ARG A 39 4.040 -20.690 -3.349 1.00 45.02 C ATOM 603 NE ARG A 39 3.522 -21.978 -2.897 1.00 34.00 N ATOM 604 CZ ARG A 39 3.224 -22.979 -3.717 1.00 71.44 C ATOM 605 NH1 ARG A 39 3.393 -22.842 -5.025 1.00 63.12 N ATOM 606 NH2 ARG A 39 2.756 -24.121 -3.230 1.00 22.51 N ATOM 0 H ARG A 39 4.733 -15.788 -1.206 1.00 71.00 H new ATOM 0 HA ARG A 39 6.149 -18.332 -1.051 1.00 13.13 H new ATOM 0 HB2 ARG A 39 3.838 -17.787 -2.855 1.00 1.51 H new ATOM 0 HB3 ARG A 39 5.255 -18.468 -3.628 1.00 1.51 H new ATOM 0 HG2 ARG A 39 5.141 -20.175 -1.579 1.00 23.11 H new ATOM 0 HG3 ARG A 39 3.461 -19.678 -1.546 1.00 23.11 H new ATOM 0 HD2 ARG A 39 3.315 -20.221 -4.014 1.00 45.02 H new ATOM 0 HD3 ARG A 39 4.949 -20.848 -3.930 1.00 45.02 H new ATOM 0 HE ARG A 39 3.381 -22.117 -1.896 1.00 34.00 H new ATOM 0 HH11 ARG A 39 3.753 -21.966 -5.404 1.00 63.12 H new ATOM 0 HH12 ARG A 39 3.163 -23.613 -5.652 1.00 63.12 H new ATOM 0 HH21 ARG A 39 2.625 -24.231 -2.224 1.00 22.51 H new ATOM 0 HH22 ARG A 39 2.528 -24.889 -3.861 1.00 22.51 H new ATOM 620 N VAL A 40 7.891 -17.378 -2.562 1.00 72.50 N ATOM 621 CA VAL A 40 8.983 -16.722 -3.271 1.00 32.20 C ATOM 622 C VAL A 40 9.209 -17.355 -4.639 1.00 73.43 C ATOM 623 O VAL A 40 9.125 -18.574 -4.792 1.00 42.42 O ATOM 624 CB VAL A 40 10.294 -16.786 -2.465 1.00 72.31 C ATOM 625 CG1 VAL A 40 11.427 -16.126 -3.235 1.00 61.04 C ATOM 626 CG2 VAL A 40 10.114 -16.134 -1.103 1.00 35.35 C ATOM 0 H VAL A 40 8.133 -18.284 -2.161 1.00 72.50 H new ATOM 0 HA VAL A 40 8.695 -15.679 -3.400 1.00 32.20 H new ATOM 0 HB VAL A 40 10.554 -17.833 -2.310 1.00 72.31 H new ATOM 0 HG11 VAL A 40 12.345 -16.181 -2.650 1.00 61.04 H new ATOM 0 HG12 VAL A 40 11.570 -16.642 -4.184 1.00 61.04 H new ATOM 0 HG13 VAL A 40 11.179 -15.081 -3.423 1.00 61.04 H new ATOM 0 HG21 VAL A 40 11.050 -16.188 -0.547 1.00 35.35 H new ATOM 0 HG22 VAL A 40 9.830 -15.090 -1.234 1.00 35.35 H new ATOM 0 HG23 VAL A 40 9.333 -16.656 -0.550 1.00 35.35 H new ATOM 636 N ALA A 41 9.496 -16.520 -5.632 1.00 13.52 N ATOM 637 CA ALA A 41 9.736 -16.998 -6.988 1.00 4.54 C ATOM 638 C ALA A 41 10.728 -16.099 -7.719 1.00 2.14 C ATOM 639 O ALA A 41 10.925 -14.943 -7.345 1.00 1.32 O ATOM 640 CB ALA A 41 8.427 -17.079 -7.759 1.00 3.03 C ATOM 0 H ALA A 41 9.568 -15.508 -5.523 1.00 13.52 H new ATOM 0 HA ALA A 41 10.169 -17.996 -6.924 1.00 4.54 H new ATOM 0 HB1 ALA A 41 8.622 -17.437 -8.770 1.00 3.03 H new ATOM 0 HB2 ALA A 41 7.749 -17.767 -7.254 1.00 3.03 H new ATOM 0 HB3 ALA A 41 7.971 -16.090 -7.806 1.00 3.03 H new ATOM 646 N SER A 42 11.351 -16.638 -8.762 1.00 33.12 N ATOM 647 CA SER A 42 12.326 -15.886 -9.543 1.00 11.14 C ATOM 648 C SER A 42 12.186 -16.195 -11.030 1.00 71.20 C ATOM 649 O SER A 42 11.658 -17.240 -11.412 1.00 43.14 O ATOM 650 CB SER A 42 13.746 -16.211 -9.074 1.00 54.40 C ATOM 651 OG SER A 42 14.482 -16.866 -10.093 1.00 15.25 O ATOM 0 H SER A 42 11.198 -17.593 -9.086 1.00 33.12 H new ATOM 0 HA SER A 42 12.135 -14.824 -9.391 1.00 11.14 H new ATOM 0 HB2 SER A 42 14.256 -15.292 -8.786 1.00 54.40 H new ATOM 0 HB3 SER A 42 13.704 -16.844 -8.187 1.00 54.40 H new ATOM 0 HG SER A 42 15.225 -16.295 -10.379 1.00 15.25 H new ATOM 657 N LYS A 43 12.662 -15.279 -11.866 1.00 5.22 N ATOM 658 CA LYS A 43 12.593 -15.451 -13.312 1.00 30.41 C ATOM 659 C LYS A 43 13.907 -16.000 -13.858 1.00 62.02 C ATOM 660 O LYS A 43 14.161 -15.946 -15.062 1.00 32.13 O ATOM 661 CB LYS A 43 12.263 -14.120 -13.990 1.00 11.31 C ATOM 662 CG LYS A 43 10.775 -13.895 -14.197 1.00 61.13 C ATOM 663 CD LYS A 43 10.265 -14.634 -15.423 1.00 20.41 C ATOM 664 CE LYS A 43 9.170 -13.851 -16.130 1.00 73.44 C ATOM 665 NZ LYS A 43 9.483 -13.637 -17.570 1.00 42.33 N ATOM 0 H LYS A 43 13.101 -14.408 -11.566 1.00 5.22 H new ATOM 0 HA LYS A 43 11.802 -16.168 -13.530 1.00 30.41 H new ATOM 0 HB2 LYS A 43 12.665 -13.305 -13.387 1.00 11.31 H new ATOM 0 HB3 LYS A 43 12.766 -14.080 -14.956 1.00 11.31 H new ATOM 0 HG2 LYS A 43 10.229 -14.231 -13.315 1.00 61.13 H new ATOM 0 HG3 LYS A 43 10.579 -12.828 -14.306 1.00 61.13 H new ATOM 0 HD2 LYS A 43 11.091 -14.810 -16.112 1.00 20.41 H new ATOM 0 HD3 LYS A 43 9.882 -15.611 -15.127 1.00 20.41 H new ATOM 0 HE2 LYS A 43 8.225 -14.386 -16.039 1.00 73.44 H new ATOM 0 HE3 LYS A 43 9.039 -12.886 -15.640 1.00 73.44 H new ATOM 0 HZ1 LYS A 43 8.713 -13.100 -18.017 1.00 42.33 H new ATOM 0 HZ2 LYS A 43 10.372 -13.104 -17.657 1.00 42.33 H new ATOM 0 HZ3 LYS A 43 9.583 -14.557 -18.044 1.00 42.33 H new ATOM 679 N ASP A 44 14.738 -16.529 -12.967 1.00 3.53 N ATOM 680 CA ASP A 44 16.026 -17.090 -13.360 1.00 54.32 C ATOM 681 C ASP A 44 16.085 -18.582 -13.051 1.00 20.33 C ATOM 682 O ASP A 44 15.947 -19.418 -13.944 1.00 54.55 O ATOM 683 CB ASP A 44 17.164 -16.362 -12.643 1.00 52.24 C ATOM 684 CG ASP A 44 17.405 -14.973 -13.202 1.00 22.15 C ATOM 685 OD1 ASP A 44 17.479 -14.836 -14.441 1.00 11.22 O ATOM 686 OD2 ASP A 44 17.519 -14.023 -12.399 1.00 65.32 O ATOM 0 H ASP A 44 14.543 -16.581 -11.967 1.00 3.53 H new ATOM 0 HA ASP A 44 16.140 -16.955 -14.436 1.00 54.32 H new ATOM 0 HB2 ASP A 44 16.932 -16.288 -11.581 1.00 52.24 H new ATOM 0 HB3 ASP A 44 18.078 -16.949 -12.729 1.00 52.24 H new ATOM 691 N ARG A 45 16.293 -18.910 -11.780 1.00 31.14 N ATOM 692 CA ARG A 45 16.373 -20.302 -11.353 1.00 2.22 C ATOM 693 C ARG A 45 15.296 -20.616 -10.319 1.00 72.41 C ATOM 694 O ARG A 45 14.973 -21.779 -10.078 1.00 1.21 O ATOM 695 CB ARG A 45 17.756 -20.600 -10.771 1.00 1.13 C ATOM 696 CG ARG A 45 18.900 -20.240 -11.704 1.00 44.01 C ATOM 697 CD ARG A 45 20.128 -21.098 -11.438 1.00 15.43 C ATOM 698 NE ARG A 45 21.369 -20.359 -11.654 1.00 32.21 N ATOM 699 CZ ARG A 45 22.573 -20.918 -11.614 1.00 60.53 C ATOM 700 NH1 ARG A 45 22.698 -22.215 -11.368 1.00 74.44 N ATOM 701 NH2 ARG A 45 23.656 -20.180 -11.821 1.00 71.14 N ATOM 0 H ARG A 45 16.409 -18.231 -11.028 1.00 31.14 H new ATOM 0 HA ARG A 45 16.210 -20.934 -12.226 1.00 2.22 H new ATOM 0 HB2 ARG A 45 17.874 -20.051 -9.837 1.00 1.13 H new ATOM 0 HB3 ARG A 45 17.817 -21.661 -10.527 1.00 1.13 H new ATOM 0 HG2 ARG A 45 18.582 -20.369 -12.738 1.00 44.01 H new ATOM 0 HG3 ARG A 45 19.156 -19.188 -11.578 1.00 44.01 H new ATOM 0 HD2 ARG A 45 20.098 -21.465 -10.412 1.00 15.43 H new ATOM 0 HD3 ARG A 45 20.108 -21.971 -12.090 1.00 15.43 H new ATOM 0 HE ARG A 45 21.308 -19.359 -11.846 1.00 32.21 H new ATOM 0 HH11 ARG A 45 21.868 -22.786 -11.209 1.00 74.44 H new ATOM 0 HH12 ARG A 45 23.624 -22.641 -11.338 1.00 74.44 H new ATOM 0 HH21 ARG A 45 23.564 -19.182 -12.011 1.00 71.14 H new ATOM 0 HH22 ARG A 45 24.580 -20.611 -11.790 1.00 71.14 H new ATOM 715 N GLY A 46 14.743 -19.571 -9.711 1.00 30.22 N ATOM 716 CA GLY A 46 13.709 -19.757 -8.710 1.00 33.11 C ATOM 717 C GLY A 46 14.237 -20.401 -7.443 1.00 75.55 C ATOM 718 O GLY A 46 13.463 -20.797 -6.571 1.00 51.40 O ATOM 0 H GLY A 46 14.993 -18.599 -9.894 1.00 30.22 H new ATOM 0 HA2 GLY A 46 13.266 -18.791 -8.466 1.00 33.11 H new ATOM 0 HA3 GLY A 46 12.914 -20.377 -9.124 1.00 33.11 H new ATOM 722 N ASP A 47 15.557 -20.510 -7.343 1.00 13.54 N ATOM 723 CA ASP A 47 16.187 -21.111 -6.174 1.00 25.44 C ATOM 724 C ASP A 47 17.384 -20.283 -5.715 1.00 34.33 C ATOM 725 O ASP A 47 18.421 -20.828 -5.336 1.00 21.54 O ATOM 726 CB ASP A 47 16.631 -22.541 -6.487 1.00 22.35 C ATOM 727 CG ASP A 47 15.468 -23.512 -6.530 1.00 73.13 C ATOM 728 OD1 ASP A 47 14.996 -23.923 -5.449 1.00 41.21 O ATOM 729 OD2 ASP A 47 15.028 -23.861 -7.646 1.00 10.52 O ATOM 0 H ASP A 47 16.211 -20.190 -8.057 1.00 13.54 H new ATOM 0 HA ASP A 47 15.454 -21.134 -5.368 1.00 25.44 H new ATOM 0 HB2 ASP A 47 17.149 -22.556 -7.446 1.00 22.35 H new ATOM 0 HB3 ASP A 47 17.347 -22.869 -5.733 1.00 22.35 H new ATOM 734 N LEU A 48 17.233 -18.964 -5.753 1.00 34.04 N ATOM 735 CA LEU A 48 18.301 -18.060 -5.342 1.00 11.53 C ATOM 736 C LEU A 48 18.260 -17.817 -3.836 1.00 52.33 C ATOM 737 O LEU A 48 19.291 -17.849 -3.163 1.00 53.20 O ATOM 738 CB LEU A 48 18.185 -16.729 -6.088 1.00 32.23 C ATOM 739 CG LEU A 48 18.283 -16.804 -7.612 1.00 14.31 C ATOM 740 CD1 LEU A 48 16.903 -16.693 -8.241 1.00 74.44 C ATOM 741 CD2 LEU A 48 19.201 -15.712 -8.141 1.00 41.03 C ATOM 0 H LEU A 48 16.381 -18.497 -6.064 1.00 34.04 H new ATOM 0 HA LEU A 48 19.254 -18.527 -5.590 1.00 11.53 H new ATOM 0 HB2 LEU A 48 17.231 -16.271 -5.827 1.00 32.23 H new ATOM 0 HB3 LEU A 48 18.968 -16.063 -5.726 1.00 32.23 H new ATOM 0 HG LEU A 48 18.707 -17.771 -7.883 1.00 14.31 H new ATOM 0 HD11 LEU A 48 16.992 -16.748 -9.326 1.00 74.44 H new ATOM 0 HD12 LEU A 48 16.275 -17.510 -7.886 1.00 74.44 H new ATOM 0 HD13 LEU A 48 16.452 -15.741 -7.962 1.00 74.44 H new ATOM 0 HD21 LEU A 48 19.259 -15.780 -9.227 1.00 41.03 H new ATOM 0 HD22 LEU A 48 18.805 -14.736 -7.859 1.00 41.03 H new ATOM 0 HD23 LEU A 48 20.197 -15.836 -7.716 1.00 41.03 H new ATOM 753 N LEU A 49 17.062 -17.576 -3.314 1.00 4.22 N ATOM 754 CA LEU A 49 16.886 -17.330 -1.887 1.00 11.23 C ATOM 755 C LEU A 49 15.462 -17.657 -1.450 1.00 15.11 C ATOM 756 O LEU A 49 14.580 -17.868 -2.282 1.00 43.34 O ATOM 757 CB LEU A 49 17.211 -15.872 -1.556 1.00 53.05 C ATOM 758 CG LEU A 49 18.690 -15.486 -1.605 1.00 35.23 C ATOM 759 CD1 LEU A 49 19.059 -14.961 -2.983 1.00 44.31 C ATOM 760 CD2 LEU A 49 19.006 -14.451 -0.535 1.00 20.52 C ATOM 0 H LEU A 49 16.199 -17.546 -3.857 1.00 4.22 H new ATOM 0 HA LEU A 49 17.572 -17.981 -1.344 1.00 11.23 H new ATOM 0 HB2 LEU A 49 16.666 -15.233 -2.250 1.00 53.05 H new ATOM 0 HB3 LEU A 49 16.832 -15.654 -0.558 1.00 53.05 H new ATOM 0 HG LEU A 49 19.286 -16.377 -1.407 1.00 35.23 H new ATOM 0 HD11 LEU A 49 20.115 -14.691 -2.999 1.00 44.31 H new ATOM 0 HD12 LEU A 49 18.870 -15.733 -3.729 1.00 44.31 H new ATOM 0 HD13 LEU A 49 18.457 -14.082 -3.211 1.00 44.31 H new ATOM 0 HD21 LEU A 49 20.063 -14.188 -0.584 1.00 20.52 H new ATOM 0 HD22 LEU A 49 18.402 -13.559 -0.702 1.00 20.52 H new ATOM 0 HD23 LEU A 49 18.780 -14.864 0.448 1.00 20.52 H new ATOM 772 N GLU A 50 15.244 -17.695 -0.139 1.00 21.30 N ATOM 773 CA GLU A 50 13.926 -17.995 0.408 1.00 72.25 C ATOM 774 C GLU A 50 13.750 -17.359 1.783 1.00 14.13 C ATOM 775 O GLU A 50 14.716 -17.177 2.524 1.00 70.00 O ATOM 776 CB GLU A 50 13.721 -19.509 0.503 1.00 2.54 C ATOM 777 CG GLU A 50 13.017 -20.105 -0.704 1.00 24.32 C ATOM 778 CD GLU A 50 12.657 -21.565 -0.506 1.00 54.33 C ATOM 779 OE1 GLU A 50 13.564 -22.362 -0.188 1.00 10.32 O ATOM 780 OE2 GLU A 50 11.468 -21.910 -0.670 1.00 71.13 O ATOM 0 H GLU A 50 15.963 -17.522 0.564 1.00 21.30 H new ATOM 0 HA GLU A 50 13.178 -17.576 -0.265 1.00 72.25 H new ATOM 0 HB2 GLU A 50 14.691 -19.992 0.622 1.00 2.54 H new ATOM 0 HB3 GLU A 50 13.141 -19.733 1.398 1.00 2.54 H new ATOM 0 HG2 GLU A 50 12.111 -19.536 -0.909 1.00 24.32 H new ATOM 0 HG3 GLU A 50 13.659 -20.008 -1.579 1.00 24.32 H new ATOM 787 N VAL A 51 12.508 -17.022 2.118 1.00 2.13 N ATOM 788 CA VAL A 51 12.204 -16.406 3.405 1.00 72.54 C ATOM 789 C VAL A 51 11.737 -17.448 4.415 1.00 10.13 C ATOM 790 O VAL A 51 11.012 -18.380 4.071 1.00 32.12 O ATOM 791 CB VAL A 51 11.120 -15.321 3.265 1.00 41.11 C ATOM 792 CG1 VAL A 51 9.898 -15.875 2.548 1.00 44.23 C ATOM 793 CG2 VAL A 51 10.742 -14.768 4.630 1.00 14.35 C ATOM 0 H VAL A 51 11.697 -17.165 1.517 1.00 2.13 H new ATOM 0 HA VAL A 51 13.125 -15.945 3.762 1.00 72.54 H new ATOM 0 HB VAL A 51 11.523 -14.505 2.666 1.00 41.11 H new ATOM 0 HG11 VAL A 51 9.143 -15.094 2.459 1.00 44.23 H new ATOM 0 HG12 VAL A 51 10.184 -16.219 1.554 1.00 44.23 H new ATOM 0 HG13 VAL A 51 9.490 -16.710 3.117 1.00 44.23 H new ATOM 0 HG21 VAL A 51 9.975 -14.002 4.513 1.00 14.35 H new ATOM 0 HG22 VAL A 51 10.358 -15.574 5.255 1.00 14.35 H new ATOM 0 HG23 VAL A 51 11.622 -14.331 5.102 1.00 14.35 H new ATOM 803 N ASN A 52 12.158 -17.282 5.665 1.00 0.00 N ATOM 804 CA ASN A 52 11.783 -18.208 6.727 1.00 31.13 C ATOM 805 C ASN A 52 10.714 -17.598 7.629 1.00 3.41 C ATOM 806 O ASN A 52 10.956 -16.599 8.309 1.00 61.05 O ATOM 807 CB ASN A 52 13.010 -18.589 7.558 1.00 43.33 C ATOM 808 CG ASN A 52 12.681 -19.583 8.654 1.00 12.25 C ATOM 809 OD1 ASN A 52 11.556 -20.074 8.745 1.00 54.02 O ATOM 810 ND2 ASN A 52 13.664 -19.884 9.495 1.00 51.40 N ATOM 0 H ASN A 52 12.759 -16.515 5.967 1.00 0.00 H new ATOM 0 HA ASN A 52 11.374 -19.106 6.263 1.00 31.13 H new ATOM 0 HB2 ASN A 52 13.771 -19.013 6.903 1.00 43.33 H new ATOM 0 HB3 ASN A 52 13.437 -17.690 8.003 1.00 43.33 H new ATOM 0 HD21 ASN A 52 13.501 -20.546 10.254 1.00 51.40 H new ATOM 0 HD22 ASN A 52 14.582 -19.453 9.382 1.00 51.40 H new ATOM 817 N LEU A 53 9.533 -18.204 7.631 1.00 75.22 N ATOM 818 CA LEU A 53 8.426 -17.721 8.450 1.00 71.53 C ATOM 819 C LEU A 53 8.774 -17.794 9.933 1.00 21.00 C ATOM 820 O LEU A 53 8.108 -17.181 10.767 1.00 43.33 O ATOM 821 CB LEU A 53 7.164 -18.539 8.170 1.00 71.22 C ATOM 822 CG LEU A 53 6.438 -18.226 6.861 1.00 33.02 C ATOM 823 CD1 LEU A 53 5.243 -19.149 6.679 1.00 31.35 C ATOM 824 CD2 LEU A 53 5.998 -16.770 6.831 1.00 50.54 C ATOM 0 H LEU A 53 9.316 -19.031 7.075 1.00 75.22 H new ATOM 0 HA LEU A 53 8.241 -16.679 8.190 1.00 71.53 H new ATOM 0 HB2 LEU A 53 7.433 -19.595 8.170 1.00 71.22 H new ATOM 0 HB3 LEU A 53 6.467 -18.388 8.994 1.00 71.22 H new ATOM 0 HG LEU A 53 7.130 -18.394 6.035 1.00 33.02 H new ATOM 0 HD11 LEU A 53 4.739 -18.911 5.742 1.00 31.35 H new ATOM 0 HD12 LEU A 53 5.583 -20.184 6.655 1.00 31.35 H new ATOM 0 HD13 LEU A 53 4.549 -19.014 7.509 1.00 31.35 H new ATOM 0 HD21 LEU A 53 5.483 -16.565 5.892 1.00 50.54 H new ATOM 0 HD22 LEU A 53 5.323 -16.577 7.665 1.00 50.54 H new ATOM 0 HD23 LEU A 53 6.872 -16.124 6.914 1.00 50.54 H new ATOM 836 N GLN A 54 9.822 -18.546 10.253 1.00 2.25 N ATOM 837 CA GLN A 54 10.259 -18.697 11.636 1.00 3.43 C ATOM 838 C GLN A 54 10.440 -17.336 12.302 1.00 71.14 C ATOM 839 O GLN A 54 10.001 -17.124 13.431 1.00 4.21 O ATOM 840 CB GLN A 54 11.569 -19.485 11.696 1.00 11.24 C ATOM 841 CG GLN A 54 11.919 -19.978 13.091 1.00 35.40 C ATOM 842 CD GLN A 54 13.399 -20.262 13.256 1.00 54.22 C ATOM 843 OE1 GLN A 54 13.976 -21.060 12.517 1.00 53.24 O ATOM 844 NE2 GLN A 54 14.022 -19.608 14.229 1.00 42.22 N ATOM 0 H GLN A 54 10.384 -19.060 9.574 1.00 2.25 H new ATOM 0 HA GLN A 54 9.488 -19.246 12.176 1.00 3.43 H new ATOM 0 HB2 GLN A 54 11.500 -20.340 11.024 1.00 11.24 H new ATOM 0 HB3 GLN A 54 12.379 -18.855 11.328 1.00 11.24 H new ATOM 0 HG2 GLN A 54 11.612 -19.231 13.824 1.00 35.40 H new ATOM 0 HG3 GLN A 54 11.353 -20.885 13.304 1.00 35.40 H new ATOM 0 HE21 GLN A 54 13.504 -18.956 14.818 1.00 42.22 H new ATOM 0 HE22 GLN A 54 15.018 -19.758 14.388 1.00 42.22 H new ATOM 853 N ASN A 55 11.089 -16.418 11.593 1.00 50.10 N ATOM 854 CA ASN A 55 11.328 -15.078 12.116 1.00 45.44 C ATOM 855 C ASN A 55 11.214 -14.034 11.009 1.00 44.23 C ATOM 856 O ASN A 55 11.692 -12.909 11.150 1.00 2.12 O ATOM 857 CB ASN A 55 12.712 -15.000 12.764 1.00 30.33 C ATOM 858 CG ASN A 55 12.845 -13.816 13.702 1.00 4.11 C ATOM 859 OD1 ASN A 55 11.963 -12.961 13.769 1.00 14.42 O ATOM 860 ND2 ASN A 55 13.954 -13.761 14.432 1.00 73.14 N ATOM 0 H ASN A 55 11.458 -16.577 10.656 1.00 50.10 H new ATOM 0 HA ASN A 55 10.569 -14.868 12.869 1.00 45.44 H new ATOM 0 HB2 ASN A 55 12.904 -15.920 13.315 1.00 30.33 H new ATOM 0 HB3 ASN A 55 13.471 -14.930 11.985 1.00 30.33 H new ATOM 0 HD21 ASN A 55 14.100 -12.987 15.080 1.00 73.14 H new ATOM 0 HD22 ASN A 55 14.659 -14.493 14.344 1.00 73.14 H new ATOM 867 N GLY A 56 10.577 -14.415 9.906 1.00 31.40 N ATOM 868 CA GLY A 56 10.411 -13.501 8.791 1.00 30.31 C ATOM 869 C GLY A 56 11.732 -12.954 8.289 1.00 42.41 C ATOM 870 O GLY A 56 11.807 -11.808 7.842 1.00 22.44 O ATOM 0 H GLY A 56 10.173 -15.341 9.765 1.00 31.40 H new ATOM 0 HA2 GLY A 56 9.901 -14.015 7.976 1.00 30.31 H new ATOM 0 HA3 GLY A 56 9.771 -12.673 9.096 1.00 30.31 H new ATOM 874 N ILE A 57 12.777 -13.772 8.363 1.00 15.42 N ATOM 875 CA ILE A 57 14.101 -13.362 7.913 1.00 51.30 C ATOM 876 C ILE A 57 14.447 -13.998 6.571 1.00 74.00 C ATOM 877 O ILE A 57 13.956 -15.078 6.238 1.00 14.34 O ATOM 878 CB ILE A 57 15.186 -13.736 8.940 1.00 15.34 C ATOM 879 CG1 ILE A 57 16.517 -13.078 8.572 1.00 53.44 C ATOM 880 CG2 ILE A 57 15.340 -15.247 9.021 1.00 20.10 C ATOM 881 CD1 ILE A 57 16.429 -11.574 8.431 1.00 72.13 C ATOM 0 H ILE A 57 12.732 -14.722 8.730 1.00 15.42 H new ATOM 0 HA ILE A 57 14.075 -12.278 7.803 1.00 51.30 H new ATOM 0 HB ILE A 57 14.880 -13.369 9.920 1.00 15.34 H new ATOM 0 HG12 ILE A 57 17.256 -13.321 9.335 1.00 53.44 H new ATOM 0 HG13 ILE A 57 16.876 -13.502 7.634 1.00 53.44 H new ATOM 0 HG21 ILE A 57 16.110 -15.496 9.751 1.00 20.10 H new ATOM 0 HG22 ILE A 57 14.394 -15.693 9.326 1.00 20.10 H new ATOM 0 HG23 ILE A 57 15.627 -15.636 8.044 1.00 20.10 H new ATOM 0 HD11 ILE A 57 17.409 -11.175 8.169 1.00 72.13 H new ATOM 0 HD12 ILE A 57 15.714 -11.323 7.647 1.00 72.13 H new ATOM 0 HD13 ILE A 57 16.100 -11.139 9.375 1.00 72.13 H new ATOM 893 N LEU A 58 15.296 -13.323 5.804 1.00 31.41 N ATOM 894 CA LEU A 58 15.710 -13.823 4.498 1.00 61.43 C ATOM 895 C LEU A 58 17.027 -14.586 4.599 1.00 3.20 C ATOM 896 O LEU A 58 18.028 -14.055 5.081 1.00 23.22 O ATOM 897 CB LEU A 58 15.853 -12.665 3.508 1.00 33.53 C ATOM 898 CG LEU A 58 15.138 -12.836 2.168 1.00 73.34 C ATOM 899 CD1 LEU A 58 15.757 -13.976 1.374 1.00 71.31 C ATOM 900 CD2 LEU A 58 13.651 -13.080 2.383 1.00 1.01 C ATOM 0 H LEU A 58 15.711 -12.428 6.064 1.00 31.41 H new ATOM 0 HA LEU A 58 14.942 -14.507 4.139 1.00 61.43 H new ATOM 0 HB2 LEU A 58 15.479 -11.758 3.984 1.00 33.53 H new ATOM 0 HB3 LEU A 58 16.914 -12.508 3.314 1.00 33.53 H new ATOM 0 HG LEU A 58 15.256 -11.916 1.596 1.00 73.34 H new ATOM 0 HD11 LEU A 58 15.235 -14.083 0.423 1.00 71.31 H new ATOM 0 HD12 LEU A 58 16.809 -13.761 1.188 1.00 71.31 H new ATOM 0 HD13 LEU A 58 15.671 -14.903 1.941 1.00 71.31 H new ATOM 0 HD21 LEU A 58 13.159 -13.199 1.418 1.00 1.01 H new ATOM 0 HD22 LEU A 58 13.513 -13.985 2.975 1.00 1.01 H new ATOM 0 HD23 LEU A 58 13.215 -12.231 2.910 1.00 1.01 H new ATOM 912 N PHE A 59 17.020 -15.833 4.139 1.00 2.44 N ATOM 913 CA PHE A 59 18.215 -16.668 4.177 1.00 72.10 C ATOM 914 C PHE A 59 18.673 -17.026 2.766 1.00 10.21 C ATOM 915 O PHE A 59 17.858 -17.331 1.895 1.00 1.12 O ATOM 916 CB PHE A 59 17.945 -17.944 4.977 1.00 64.42 C ATOM 917 CG PHE A 59 16.805 -18.760 4.438 1.00 64.33 C ATOM 918 CD1 PHE A 59 17.018 -19.696 3.438 1.00 34.13 C ATOM 919 CD2 PHE A 59 15.521 -18.591 4.930 1.00 3.11 C ATOM 920 CE1 PHE A 59 15.971 -20.449 2.940 1.00 12.22 C ATOM 921 CE2 PHE A 59 14.471 -19.341 4.436 1.00 12.02 C ATOM 922 CZ PHE A 59 14.695 -20.270 3.439 1.00 25.12 C ATOM 0 H PHE A 59 16.201 -16.287 3.736 1.00 2.44 H new ATOM 0 HA PHE A 59 19.009 -16.102 4.665 1.00 72.10 H new ATOM 0 HB2 PHE A 59 18.847 -18.556 4.985 1.00 64.42 H new ATOM 0 HB3 PHE A 59 17.732 -17.676 6.012 1.00 64.42 H new ATOM 0 HD1 PHE A 59 18.013 -19.839 3.043 1.00 34.13 H new ATOM 0 HD2 PHE A 59 15.339 -17.865 5.708 1.00 3.11 H new ATOM 0 HE1 PHE A 59 16.150 -21.176 2.162 1.00 12.22 H new ATOM 0 HE2 PHE A 59 13.475 -19.201 4.830 1.00 12.02 H new ATOM 0 HZ PHE A 59 13.875 -20.855 3.050 1.00 25.12 H new ATOM 932 N VAL A 60 19.984 -16.985 2.548 1.00 74.22 N ATOM 933 CA VAL A 60 20.552 -17.305 1.244 1.00 73.33 C ATOM 934 C VAL A 60 20.382 -18.785 0.918 1.00 15.14 C ATOM 935 O VAL A 60 20.445 -19.637 1.804 1.00 54.33 O ATOM 936 CB VAL A 60 22.048 -16.946 1.180 1.00 50.42 C ATOM 937 CG1 VAL A 60 22.605 -17.222 -0.208 1.00 70.33 C ATOM 938 CG2 VAL A 60 22.263 -15.491 1.569 1.00 11.13 C ATOM 0 H VAL A 60 20.672 -16.733 3.258 1.00 74.22 H new ATOM 0 HA VAL A 60 20.011 -16.709 0.509 1.00 73.33 H new ATOM 0 HB VAL A 60 22.585 -17.573 1.892 1.00 50.42 H new ATOM 0 HG11 VAL A 60 23.663 -16.962 -0.234 1.00 70.33 H new ATOM 0 HG12 VAL A 60 22.485 -18.279 -0.445 1.00 70.33 H new ATOM 0 HG13 VAL A 60 22.066 -16.623 -0.942 1.00 70.33 H new ATOM 0 HG21 VAL A 60 23.326 -15.254 1.518 1.00 11.13 H new ATOM 0 HG22 VAL A 60 21.714 -14.846 0.883 1.00 11.13 H new ATOM 0 HG23 VAL A 60 21.903 -15.329 2.585 1.00 11.13 H new ATOM 948 N ASN A 61 20.166 -19.083 -0.359 1.00 32.33 N ATOM 949 CA ASN A 61 19.987 -20.461 -0.802 1.00 35.21 C ATOM 950 C ASN A 61 20.511 -20.648 -2.222 1.00 63.42 C ATOM 951 O ASN A 61 19.824 -21.201 -3.081 1.00 62.20 O ATOM 952 CB ASN A 61 18.509 -20.852 -0.737 1.00 14.43 C ATOM 953 CG ASN A 61 18.307 -22.355 -0.743 1.00 52.42 C ATOM 954 OD1 ASN A 61 19.237 -23.116 -1.010 1.00 53.24 O ATOM 955 ND2 ASN A 61 17.087 -22.789 -0.448 1.00 50.24 N ATOM 0 H ASN A 61 20.111 -18.389 -1.105 1.00 32.33 H new ATOM 0 HA ASN A 61 20.557 -21.108 -0.135 1.00 35.21 H new ATOM 0 HB2 ASN A 61 18.064 -20.432 0.165 1.00 14.43 H new ATOM 0 HB3 ASN A 61 17.983 -20.414 -1.585 1.00 14.43 H new ATOM 0 HD21 ASN A 61 16.891 -23.790 -0.436 1.00 50.24 H new ATOM 0 HD22 ASN A 61 16.346 -22.121 -0.233 1.00 50.24 H new ATOM 962 N SER A 62 21.734 -20.184 -2.462 1.00 33.45 N ATOM 963 CA SER A 62 22.350 -20.298 -3.778 1.00 41.42 C ATOM 964 C SER A 62 23.829 -19.927 -3.719 1.00 70.34 C ATOM 965 O SER A 62 24.379 -19.691 -2.643 1.00 74.14 O ATOM 966 CB SER A 62 21.627 -19.398 -4.782 1.00 50.12 C ATOM 967 OG SER A 62 21.593 -18.055 -4.331 1.00 54.01 O ATOM 0 H SER A 62 22.317 -19.726 -1.762 1.00 33.45 H new ATOM 0 HA SER A 62 22.266 -21.335 -4.103 1.00 41.42 H new ATOM 0 HB2 SER A 62 22.130 -19.448 -5.748 1.00 50.12 H new ATOM 0 HB3 SER A 62 20.610 -19.760 -4.933 1.00 50.12 H new ATOM 0 HG SER A 62 20.972 -17.979 -3.577 1.00 54.01 H new ATOM 973 N ARG A 63 24.467 -19.879 -4.884 1.00 41.01 N ATOM 974 CA ARG A 63 25.882 -19.539 -4.966 1.00 44.13 C ATOM 975 C ARG A 63 26.077 -18.026 -4.993 1.00 44.24 C ATOM 976 O ARG A 63 25.666 -17.354 -5.940 1.00 35.03 O ATOM 977 CB ARG A 63 26.508 -20.167 -6.213 1.00 41.11 C ATOM 978 CG ARG A 63 25.814 -19.773 -7.507 1.00 5.11 C ATOM 979 CD ARG A 63 25.483 -20.991 -8.355 1.00 31.04 C ATOM 980 NE ARG A 63 26.505 -21.249 -9.365 1.00 51.05 N ATOM 981 CZ ARG A 63 26.611 -22.396 -10.027 1.00 3.00 C ATOM 982 NH1 ARG A 63 25.762 -23.385 -9.786 1.00 24.54 N ATOM 983 NH2 ARG A 63 27.568 -22.555 -10.932 1.00 41.25 N ATOM 0 H ARG A 63 24.026 -20.071 -5.784 1.00 41.01 H new ATOM 0 HA ARG A 63 26.377 -19.936 -4.080 1.00 44.13 H new ATOM 0 HB2 ARG A 63 27.557 -19.875 -6.269 1.00 41.11 H new ATOM 0 HB3 ARG A 63 26.485 -21.252 -6.114 1.00 41.11 H new ATOM 0 HG2 ARG A 63 24.898 -19.228 -7.279 1.00 5.11 H new ATOM 0 HG3 ARG A 63 26.455 -19.097 -8.073 1.00 5.11 H new ATOM 0 HD2 ARG A 63 25.381 -21.864 -7.711 1.00 31.04 H new ATOM 0 HD3 ARG A 63 24.520 -20.842 -8.844 1.00 31.04 H new ATOM 0 HE ARG A 63 27.174 -20.508 -9.574 1.00 51.05 H new ATOM 0 HH11 ARG A 63 25.025 -23.266 -9.091 1.00 24.54 H new ATOM 0 HH12 ARG A 63 25.846 -24.265 -10.296 1.00 24.54 H new ATOM 0 HH21 ARG A 63 28.223 -21.796 -11.120 1.00 41.25 H new ATOM 0 HH22 ARG A 63 27.649 -23.436 -11.440 1.00 41.25 H new ATOM 997 N ILE A 64 26.707 -17.497 -3.950 1.00 13.24 N ATOM 998 CA ILE A 64 26.956 -16.064 -3.855 1.00 4.14 C ATOM 999 C ILE A 64 28.437 -15.750 -4.043 1.00 33.12 C ATOM 1000 O ILE A 64 28.810 -14.609 -4.314 1.00 43.22 O ATOM 1001 CB ILE A 64 26.492 -15.500 -2.499 1.00 21.24 C ATOM 1002 CG1 ILE A 64 25.092 -16.016 -2.160 1.00 11.23 C ATOM 1003 CG2 ILE A 64 26.511 -13.979 -2.523 1.00 31.22 C ATOM 1004 CD1 ILE A 64 24.040 -15.618 -3.172 1.00 23.22 C ATOM 0 H ILE A 64 27.054 -18.039 -3.159 1.00 13.24 H new ATOM 0 HA ILE A 64 26.382 -15.591 -4.652 1.00 4.14 H new ATOM 0 HB ILE A 64 27.181 -15.840 -1.726 1.00 21.24 H new ATOM 0 HG12 ILE A 64 25.122 -17.103 -2.087 1.00 11.23 H new ATOM 0 HG13 ILE A 64 24.802 -15.639 -1.179 1.00 11.23 H new ATOM 0 HG21 ILE A 64 26.181 -13.596 -1.558 1.00 31.22 H new ATOM 0 HG22 ILE A 64 27.524 -13.631 -2.724 1.00 31.22 H new ATOM 0 HG23 ILE A 64 25.842 -13.619 -3.305 1.00 31.22 H new ATOM 0 HD11 ILE A 64 23.073 -16.018 -2.868 1.00 23.22 H new ATOM 0 HD12 ILE A 64 23.982 -14.531 -3.228 1.00 23.22 H new ATOM 0 HD13 ILE A 64 24.307 -16.018 -4.150 1.00 23.22 H new ATOM 1016 N ASP A 65 29.275 -16.771 -3.899 1.00 11.53 N ATOM 1017 CA ASP A 65 30.715 -16.605 -4.056 1.00 3.11 C ATOM 1018 C ASP A 65 31.036 -15.806 -5.315 1.00 62.23 C ATOM 1019 O ASP A 65 30.420 -16.005 -6.362 1.00 71.23 O ATOM 1020 CB ASP A 65 31.404 -17.969 -4.113 1.00 72.51 C ATOM 1021 CG ASP A 65 31.104 -18.821 -2.895 1.00 55.03 C ATOM 1022 OD1 ASP A 65 29.948 -19.273 -2.759 1.00 31.54 O ATOM 1023 OD2 ASP A 65 32.024 -19.034 -2.078 1.00 60.23 O ATOM 0 H ASP A 65 28.982 -17.722 -3.674 1.00 11.53 H new ATOM 0 HA ASP A 65 31.088 -16.054 -3.193 1.00 3.11 H new ATOM 0 HB2 ASP A 65 31.083 -18.498 -5.011 1.00 72.51 H new ATOM 0 HB3 ASP A 65 32.481 -17.825 -4.196 1.00 72.51 H new ATOM 1028 N ARG A 66 32.003 -14.901 -5.206 1.00 25.44 N ATOM 1029 CA ARG A 66 32.404 -14.071 -6.335 1.00 5.02 C ATOM 1030 C ARG A 66 32.810 -14.933 -7.527 1.00 33.11 C ATOM 1031 O ARG A 66 32.748 -14.491 -8.674 1.00 20.05 O ATOM 1032 CB ARG A 66 33.564 -13.156 -5.936 1.00 52.00 C ATOM 1033 CG ARG A 66 34.668 -13.869 -5.173 1.00 32.24 C ATOM 1034 CD ARG A 66 36.034 -13.594 -5.782 1.00 33.22 C ATOM 1035 NE ARG A 66 36.711 -12.479 -5.126 1.00 1.01 N ATOM 1036 CZ ARG A 66 37.993 -12.186 -5.312 1.00 24.12 C ATOM 1037 NH1 ARG A 66 38.733 -12.922 -6.130 1.00 51.11 N ATOM 1038 NH2 ARG A 66 38.538 -11.155 -4.679 1.00 2.11 N ATOM 0 H ARG A 66 32.523 -14.724 -4.347 1.00 25.44 H new ATOM 0 HA ARG A 66 31.550 -13.459 -6.625 1.00 5.02 H new ATOM 0 HB2 ARG A 66 33.987 -12.707 -6.835 1.00 52.00 H new ATOM 0 HB3 ARG A 66 33.179 -12.341 -5.323 1.00 52.00 H new ATOM 0 HG2 ARG A 66 34.660 -13.545 -4.132 1.00 32.24 H new ATOM 0 HG3 ARG A 66 34.478 -14.942 -5.174 1.00 32.24 H new ATOM 0 HD2 ARG A 66 36.652 -14.489 -5.706 1.00 33.22 H new ATOM 0 HD3 ARG A 66 35.920 -13.375 -6.844 1.00 33.22 H new ATOM 0 HE ARG A 66 36.170 -11.893 -4.490 1.00 1.01 H new ATOM 0 HH11 ARG A 66 38.318 -13.715 -6.618 1.00 51.11 H new ATOM 0 HH12 ARG A 66 39.717 -12.695 -6.271 1.00 51.11 H new ATOM 0 HH21 ARG A 66 37.972 -10.587 -4.049 1.00 2.11 H new ATOM 0 HH22 ARG A 66 39.523 -10.931 -4.823 1.00 2.11 H new ATOM 1052 N GLU A 67 33.224 -16.165 -7.246 1.00 43.43 N ATOM 1053 CA GLU A 67 33.641 -17.087 -8.296 1.00 32.31 C ATOM 1054 C GLU A 67 32.436 -17.599 -9.080 1.00 31.32 C ATOM 1055 O GLU A 67 32.469 -17.677 -10.307 1.00 41.54 O ATOM 1056 CB GLU A 67 34.410 -18.265 -7.694 1.00 72.52 C ATOM 1057 CG GLU A 67 35.777 -17.886 -7.150 1.00 52.04 C ATOM 1058 CD GLU A 67 36.767 -19.033 -7.210 1.00 44.44 C ATOM 1059 OE1 GLU A 67 36.455 -20.116 -6.673 1.00 43.33 O ATOM 1060 OE2 GLU A 67 37.855 -18.846 -7.795 1.00 41.02 O ATOM 0 H GLU A 67 33.279 -16.547 -6.302 1.00 43.43 H new ATOM 0 HA GLU A 67 34.295 -16.547 -8.981 1.00 32.31 H new ATOM 0 HB2 GLU A 67 33.817 -18.702 -6.891 1.00 72.52 H new ATOM 0 HB3 GLU A 67 34.532 -19.035 -8.455 1.00 72.52 H new ATOM 0 HG2 GLU A 67 36.169 -17.043 -7.718 1.00 52.04 H new ATOM 0 HG3 GLU A 67 35.674 -17.554 -6.117 1.00 52.04 H new ATOM 1067 N GLU A 68 31.374 -17.948 -8.360 1.00 71.23 N ATOM 1068 CA GLU A 68 30.159 -18.454 -8.989 1.00 22.35 C ATOM 1069 C GLU A 68 29.287 -17.307 -9.490 1.00 43.22 C ATOM 1070 O GLU A 68 28.953 -17.238 -10.674 1.00 15.44 O ATOM 1071 CB GLU A 68 29.369 -19.316 -8.001 1.00 51.05 C ATOM 1072 CG GLU A 68 30.067 -20.614 -7.632 1.00 3.22 C ATOM 1073 CD GLU A 68 30.470 -20.664 -6.171 1.00 3.22 C ATOM 1074 OE1 GLU A 68 29.569 -20.748 -5.310 1.00 63.21 O ATOM 1075 OE2 GLU A 68 31.686 -20.618 -5.888 1.00 73.21 O ATOM 0 H GLU A 68 31.330 -17.890 -7.343 1.00 71.23 H new ATOM 0 HA GLU A 68 30.450 -19.066 -9.843 1.00 22.35 H new ATOM 0 HB2 GLU A 68 29.188 -18.740 -7.093 1.00 51.05 H new ATOM 0 HB3 GLU A 68 28.395 -19.547 -8.432 1.00 51.05 H new ATOM 0 HG2 GLU A 68 29.406 -21.453 -7.852 1.00 3.22 H new ATOM 0 HG3 GLU A 68 30.954 -20.735 -8.254 1.00 3.22 H new ATOM 1082 N LEU A 69 28.922 -16.408 -8.582 1.00 64.41 N ATOM 1083 CA LEU A 69 28.089 -15.263 -8.931 1.00 33.22 C ATOM 1084 C LEU A 69 28.647 -14.534 -10.148 1.00 44.43 C ATOM 1085 O LEU A 69 28.116 -14.650 -11.253 1.00 41.11 O ATOM 1086 CB LEU A 69 27.989 -14.300 -7.746 1.00 62.43 C ATOM 1087 CG LEU A 69 26.616 -14.194 -7.081 1.00 63.04 C ATOM 1088 CD1 LEU A 69 26.639 -13.151 -5.974 1.00 73.54 C ATOM 1089 CD2 LEU A 69 25.549 -13.857 -8.112 1.00 60.04 C ATOM 0 H LEU A 69 29.190 -16.450 -7.599 1.00 64.41 H new ATOM 0 HA LEU A 69 27.093 -15.631 -9.177 1.00 33.22 H new ATOM 0 HB2 LEU A 69 28.713 -14.608 -6.992 1.00 62.43 H new ATOM 0 HB3 LEU A 69 28.284 -13.307 -8.085 1.00 62.43 H new ATOM 0 HG LEU A 69 26.372 -15.159 -6.638 1.00 63.04 H new ATOM 0 HD11 LEU A 69 25.654 -13.089 -5.512 1.00 73.54 H new ATOM 0 HD12 LEU A 69 27.375 -13.435 -5.222 1.00 73.54 H new ATOM 0 HD13 LEU A 69 26.905 -12.181 -6.394 1.00 73.54 H new ATOM 0 HD21 LEU A 69 24.578 -13.786 -7.621 1.00 60.04 H new ATOM 0 HD22 LEU A 69 25.788 -12.904 -8.585 1.00 60.04 H new ATOM 0 HD23 LEU A 69 25.515 -14.640 -8.870 1.00 60.04 H new ATOM 1101 N CYS A 70 29.724 -13.783 -9.939 1.00 54.33 N ATOM 1102 CA CYS A 70 30.356 -13.035 -11.019 1.00 65.21 C ATOM 1103 C CYS A 70 31.786 -12.651 -10.649 1.00 42.43 C ATOM 1104 O CYS A 70 32.727 -12.931 -11.390 1.00 62.05 O ATOM 1105 CB CYS A 70 29.546 -11.778 -11.341 1.00 33.31 C ATOM 1106 SG CYS A 70 28.749 -11.016 -9.891 1.00 2.22 S ATOM 0 H CYS A 70 30.177 -13.677 -9.031 1.00 54.33 H new ATOM 0 HA CYS A 70 30.386 -13.675 -11.901 1.00 65.21 H new ATOM 0 HB2 CYS A 70 30.203 -11.045 -11.808 1.00 33.31 H new ATOM 0 HB3 CYS A 70 28.779 -12.031 -12.073 1.00 33.31 H new ATOM 1111 N GLY A 71 31.941 -12.006 -9.496 1.00 74.44 N ATOM 1112 CA GLY A 71 33.258 -11.594 -9.048 1.00 13.13 C ATOM 1113 C GLY A 71 33.786 -10.402 -9.820 1.00 42.51 C ATOM 1114 O GLY A 71 33.891 -9.300 -9.280 1.00 25.54 O ATOM 0 H GLY A 71 31.178 -11.762 -8.865 1.00 74.44 H new ATOM 0 HA2 GLY A 71 33.217 -11.347 -7.987 1.00 13.13 H new ATOM 0 HA3 GLY A 71 33.952 -12.428 -9.154 1.00 13.13 H new ATOM 1118 N ARG A 72 34.121 -10.621 -11.087 1.00 40.45 N ATOM 1119 CA ARG A 72 34.644 -9.556 -11.934 1.00 45.35 C ATOM 1120 C ARG A 72 33.763 -8.313 -11.853 1.00 75.10 C ATOM 1121 O ARG A 72 34.241 -7.218 -11.557 1.00 21.41 O ATOM 1122 CB ARG A 72 34.742 -10.031 -13.385 1.00 43.54 C ATOM 1123 CG ARG A 72 35.672 -11.218 -13.576 1.00 42.54 C ATOM 1124 CD ARG A 72 37.124 -10.833 -13.336 1.00 15.44 C ATOM 1125 NE ARG A 72 37.759 -11.690 -12.338 1.00 52.32 N ATOM 1126 CZ ARG A 72 39.058 -11.658 -12.062 1.00 72.25 C ATOM 1127 NH1 ARG A 72 39.855 -10.817 -12.706 1.00 2.43 N ATOM 1128 NH2 ARG A 72 39.562 -12.470 -11.141 1.00 54.53 N ATOM 0 H ARG A 72 34.040 -11.526 -11.550 1.00 40.45 H new ATOM 0 HA ARG A 72 35.640 -9.297 -11.575 1.00 45.35 H new ATOM 0 HB2 ARG A 72 33.747 -10.300 -13.738 1.00 43.54 H new ATOM 0 HB3 ARG A 72 35.089 -9.205 -14.006 1.00 43.54 H new ATOM 0 HG2 ARG A 72 35.389 -12.017 -12.891 1.00 42.54 H new ATOM 0 HG3 ARG A 72 35.561 -11.610 -14.587 1.00 42.54 H new ATOM 0 HD2 ARG A 72 37.676 -10.898 -14.274 1.00 15.44 H new ATOM 0 HD3 ARG A 72 37.174 -9.795 -13.007 1.00 15.44 H new ATOM 0 HE ARG A 72 37.173 -12.349 -11.825 1.00 52.32 H new ATOM 0 HH11 ARG A 72 39.471 -10.193 -13.415 1.00 2.43 H new ATOM 0 HH12 ARG A 72 40.852 -10.794 -12.492 1.00 2.43 H new ATOM 0 HH21 ARG A 72 38.952 -13.119 -10.645 1.00 54.53 H new ATOM 0 HH22 ARG A 72 40.560 -12.445 -10.930 1.00 54.53 H new ATOM 1142 N SER A 73 32.472 -8.491 -12.118 1.00 63.13 N ATOM 1143 CA SER A 73 31.524 -7.384 -12.079 1.00 41.14 C ATOM 1144 C SER A 73 31.626 -6.627 -10.758 1.00 63.45 C ATOM 1145 O SER A 73 31.187 -7.113 -9.717 1.00 31.32 O ATOM 1146 CB SER A 73 30.097 -7.900 -12.276 1.00 2.42 C ATOM 1147 OG SER A 73 29.725 -7.862 -13.643 1.00 20.44 O ATOM 0 H SER A 73 32.059 -9.391 -12.362 1.00 63.13 H new ATOM 0 HA SER A 73 31.770 -6.698 -12.890 1.00 41.14 H new ATOM 0 HB2 SER A 73 30.022 -8.922 -11.904 1.00 2.42 H new ATOM 0 HB3 SER A 73 29.404 -7.296 -11.690 1.00 2.42 H new ATOM 0 HG SER A 73 28.810 -8.198 -13.742 1.00 20.44 H new ATOM 1153 N ALA A 74 32.210 -5.434 -10.811 1.00 33.42 N ATOM 1154 CA ALA A 74 32.368 -4.609 -9.620 1.00 43.20 C ATOM 1155 C ALA A 74 31.046 -4.460 -8.875 1.00 23.53 C ATOM 1156 O ALA A 74 31.026 -4.314 -7.653 1.00 54.22 O ATOM 1157 CB ALA A 74 32.921 -3.242 -9.995 1.00 41.14 C ATOM 0 H ALA A 74 32.581 -5.018 -11.665 1.00 33.42 H new ATOM 0 HA ALA A 74 33.075 -5.106 -8.956 1.00 43.20 H new ATOM 0 HB1 ALA A 74 33.034 -2.636 -9.096 1.00 41.14 H new ATOM 0 HB2 ALA A 74 33.892 -3.362 -10.476 1.00 41.14 H new ATOM 0 HB3 ALA A 74 32.234 -2.748 -10.682 1.00 41.14 H new ATOM 1163 N GLU A 75 29.945 -4.499 -9.619 1.00 22.14 N ATOM 1164 CA GLU A 75 28.619 -4.367 -9.027 1.00 21.14 C ATOM 1165 C GLU A 75 27.636 -5.341 -9.671 1.00 4.24 C ATOM 1166 O GLU A 75 27.309 -5.220 -10.852 1.00 20.24 O ATOM 1167 CB GLU A 75 28.108 -2.933 -9.180 1.00 60.14 C ATOM 1168 CG GLU A 75 27.486 -2.369 -7.914 1.00 20.51 C ATOM 1169 CD GLU A 75 26.090 -1.824 -8.143 1.00 11.35 C ATOM 1170 OE1 GLU A 75 25.127 -2.617 -8.084 1.00 14.54 O ATOM 1171 OE2 GLU A 75 25.960 -0.605 -8.381 1.00 3.24 O ATOM 0 H GLU A 75 29.945 -4.621 -10.632 1.00 22.14 H new ATOM 0 HA GLU A 75 28.697 -4.605 -7.966 1.00 21.14 H new ATOM 0 HB2 GLU A 75 28.935 -2.292 -9.485 1.00 60.14 H new ATOM 0 HB3 GLU A 75 27.370 -2.903 -9.982 1.00 60.14 H new ATOM 0 HG2 GLU A 75 27.447 -3.149 -7.154 1.00 20.51 H new ATOM 0 HG3 GLU A 75 28.122 -1.575 -7.523 1.00 20.51 H new ATOM 1178 N CYS A 76 27.170 -6.306 -8.886 1.00 75.42 N ATOM 1179 CA CYS A 76 26.225 -7.302 -9.378 1.00 23.40 C ATOM 1180 C CYS A 76 24.856 -7.121 -8.729 1.00 41.13 C ATOM 1181 O CYS A 76 24.735 -7.108 -7.504 1.00 72.44 O ATOM 1182 CB CYS A 76 26.750 -8.713 -9.102 1.00 13.12 C ATOM 1183 SG CYS A 76 27.655 -9.456 -10.497 1.00 75.33 S ATOM 0 H CYS A 76 27.431 -6.420 -7.907 1.00 75.42 H new ATOM 0 HA CYS A 76 26.118 -7.165 -10.454 1.00 23.40 H new ATOM 0 HB2 CYS A 76 27.407 -8.681 -8.233 1.00 13.12 H new ATOM 0 HB3 CYS A 76 25.910 -9.358 -8.843 1.00 13.12 H new ATOM 1188 N SER A 77 23.828 -6.981 -9.560 1.00 12.32 N ATOM 1189 CA SER A 77 22.468 -6.796 -9.068 1.00 35.31 C ATOM 1190 C SER A 77 21.617 -8.032 -9.346 1.00 40.13 C ATOM 1191 O SER A 77 21.835 -8.740 -10.330 1.00 53.32 O ATOM 1192 CB SER A 77 21.830 -5.567 -9.718 1.00 72.12 C ATOM 1193 OG SER A 77 22.794 -4.554 -9.949 1.00 33.30 O ATOM 0 H SER A 77 23.911 -6.992 -10.577 1.00 12.32 H new ATOM 0 HA SER A 77 22.516 -6.644 -7.990 1.00 35.31 H new ATOM 0 HB2 SER A 77 21.364 -5.851 -10.661 1.00 72.12 H new ATOM 0 HB3 SER A 77 21.039 -5.181 -9.075 1.00 72.12 H new ATOM 0 HG SER A 77 22.362 -3.780 -10.367 1.00 33.30 H new ATOM 1199 N ILE A 78 20.648 -8.284 -8.473 1.00 20.30 N ATOM 1200 CA ILE A 78 19.764 -9.433 -8.625 1.00 31.24 C ATOM 1201 C ILE A 78 18.302 -9.025 -8.478 1.00 10.11 C ATOM 1202 O ILE A 78 17.958 -8.205 -7.626 1.00 54.00 O ATOM 1203 CB ILE A 78 20.085 -10.531 -7.593 1.00 13.43 C ATOM 1204 CG1 ILE A 78 21.537 -10.990 -7.740 1.00 34.44 C ATOM 1205 CG2 ILE A 78 19.132 -11.706 -7.756 1.00 2.43 C ATOM 1206 CD1 ILE A 78 22.468 -10.390 -6.709 1.00 74.53 C ATOM 0 H ILE A 78 20.455 -7.708 -7.653 1.00 20.30 H new ATOM 0 HA ILE A 78 19.930 -9.828 -9.627 1.00 31.24 H new ATOM 0 HB ILE A 78 19.954 -10.119 -6.592 1.00 13.43 H new ATOM 0 HG12 ILE A 78 21.576 -12.077 -7.664 1.00 34.44 H new ATOM 0 HG13 ILE A 78 21.893 -10.728 -8.736 1.00 34.44 H new ATOM 0 HG21 ILE A 78 19.371 -12.473 -7.020 1.00 2.43 H new ATOM 0 HG22 ILE A 78 18.107 -11.367 -7.606 1.00 2.43 H new ATOM 0 HG23 ILE A 78 19.234 -12.121 -8.759 1.00 2.43 H new ATOM 0 HD11 ILE A 78 23.480 -10.760 -6.874 1.00 74.53 H new ATOM 0 HD12 ILE A 78 22.459 -9.304 -6.799 1.00 74.53 H new ATOM 0 HD13 ILE A 78 22.136 -10.674 -5.710 1.00 74.53 H new ATOM 1218 N HIS A 79 17.445 -9.604 -9.313 1.00 51.31 N ATOM 1219 CA HIS A 79 16.018 -9.302 -9.275 1.00 44.21 C ATOM 1220 C HIS A 79 15.214 -10.530 -8.860 1.00 60.22 C ATOM 1221 O HIS A 79 15.532 -11.654 -9.251 1.00 32.31 O ATOM 1222 CB HIS A 79 15.544 -8.805 -10.641 1.00 2.30 C ATOM 1223 CG HIS A 79 16.461 -7.797 -11.263 1.00 65.53 C ATOM 1224 ND1 HIS A 79 16.655 -7.696 -12.625 1.00 23.13 N ATOM 1225 CD2 HIS A 79 17.239 -6.842 -10.702 1.00 30.31 C ATOM 1226 CE1 HIS A 79 17.514 -6.723 -12.874 1.00 33.32 C ATOM 1227 NE2 HIS A 79 17.883 -6.189 -11.724 1.00 12.33 N ATOM 0 H HIS A 79 17.713 -10.285 -10.024 1.00 51.31 H new ATOM 0 HA HIS A 79 15.857 -8.517 -8.536 1.00 44.21 H new ATOM 0 HB2 HIS A 79 15.444 -9.657 -11.314 1.00 2.30 H new ATOM 0 HB3 HIS A 79 14.553 -8.365 -10.534 1.00 2.30 H new ATOM 0 HD2 HIS A 79 17.335 -6.633 -9.647 1.00 30.31 H new ATOM 0 HE1 HIS A 79 17.856 -6.417 -13.852 1.00 33.32 H new ATOM 0 HE2 HIS A 79 18.540 -5.417 -11.613 1.00 12.33 H new ATOM 1235 N LEU A 80 14.172 -10.309 -8.067 1.00 1.45 N ATOM 1236 CA LEU A 80 13.322 -11.398 -7.598 1.00 1.42 C ATOM 1237 C LEU A 80 11.868 -10.948 -7.495 1.00 61.05 C ATOM 1238 O LEU A 80 11.585 -9.760 -7.346 1.00 44.22 O ATOM 1239 CB LEU A 80 13.809 -11.902 -6.238 1.00 52.21 C ATOM 1240 CG LEU A 80 12.971 -13.006 -5.592 1.00 53.43 C ATOM 1241 CD1 LEU A 80 13.851 -13.928 -4.763 1.00 73.35 C ATOM 1242 CD2 LEU A 80 11.868 -12.404 -4.734 1.00 35.44 C ATOM 0 H LEU A 80 13.895 -9.385 -7.735 1.00 1.45 H new ATOM 0 HA LEU A 80 13.382 -12.210 -8.322 1.00 1.42 H new ATOM 0 HB2 LEU A 80 14.829 -12.268 -6.353 1.00 52.21 H new ATOM 0 HB3 LEU A 80 13.849 -11.056 -5.552 1.00 52.21 H new ATOM 0 HG LEU A 80 12.508 -13.595 -6.383 1.00 53.43 H new ATOM 0 HD11 LEU A 80 13.237 -14.707 -4.311 1.00 73.35 H new ATOM 0 HD12 LEU A 80 14.604 -14.386 -5.404 1.00 73.35 H new ATOM 0 HD13 LEU A 80 14.343 -13.353 -3.979 1.00 73.35 H new ATOM 0 HD21 LEU A 80 11.281 -13.204 -4.282 1.00 35.44 H new ATOM 0 HD22 LEU A 80 12.311 -11.791 -3.949 1.00 35.44 H new ATOM 0 HD23 LEU A 80 11.220 -11.786 -5.355 1.00 35.44 H new ATOM 1254 N GLU A 81 10.951 -11.907 -7.575 1.00 14.32 N ATOM 1255 CA GLU A 81 9.526 -11.608 -7.489 1.00 72.55 C ATOM 1256 C GLU A 81 8.845 -12.498 -6.454 1.00 33.35 C ATOM 1257 O GLU A 81 8.754 -13.714 -6.626 1.00 42.11 O ATOM 1258 CB GLU A 81 8.860 -11.795 -8.855 1.00 23.14 C ATOM 1259 CG GLU A 81 8.720 -10.505 -9.645 1.00 1.12 C ATOM 1260 CD GLU A 81 9.832 -10.318 -10.659 1.00 1.13 C ATOM 1261 OE1 GLU A 81 10.939 -9.902 -10.257 1.00 34.25 O ATOM 1262 OE2 GLU A 81 9.595 -10.588 -11.855 1.00 10.02 O ATOM 0 H GLU A 81 11.169 -12.896 -7.699 1.00 14.32 H new ATOM 0 HA GLU A 81 9.417 -10.569 -7.178 1.00 72.55 H new ATOM 0 HB2 GLU A 81 9.442 -12.508 -9.439 1.00 23.14 H new ATOM 0 HB3 GLU A 81 7.872 -12.232 -8.711 1.00 23.14 H new ATOM 0 HG2 GLU A 81 7.759 -10.501 -10.160 1.00 1.12 H new ATOM 0 HG3 GLU A 81 8.716 -9.660 -8.956 1.00 1.12 H new ATOM 1269 N VAL A 82 8.367 -11.883 -5.376 1.00 25.40 N ATOM 1270 CA VAL A 82 7.694 -12.618 -4.312 1.00 21.22 C ATOM 1271 C VAL A 82 6.190 -12.679 -4.552 1.00 51.34 C ATOM 1272 O VAL A 82 5.488 -11.676 -4.414 1.00 63.20 O ATOM 1273 CB VAL A 82 7.957 -11.980 -2.935 1.00 45.52 C ATOM 1274 CG1 VAL A 82 7.566 -12.936 -1.819 1.00 43.10 C ATOM 1275 CG2 VAL A 82 9.417 -11.569 -2.809 1.00 53.44 C ATOM 0 H VAL A 82 8.434 -10.878 -5.217 1.00 25.40 H new ATOM 0 HA VAL A 82 8.102 -13.629 -4.320 1.00 21.22 H new ATOM 0 HB VAL A 82 7.342 -11.085 -2.845 1.00 45.52 H new ATOM 0 HG11 VAL A 82 7.759 -12.467 -0.854 1.00 43.10 H new ATOM 0 HG12 VAL A 82 6.506 -13.176 -1.900 1.00 43.10 H new ATOM 0 HG13 VAL A 82 8.152 -13.851 -1.902 1.00 43.10 H new ATOM 0 HG21 VAL A 82 9.585 -11.120 -1.830 1.00 53.44 H new ATOM 0 HG22 VAL A 82 10.053 -12.447 -2.920 1.00 53.44 H new ATOM 0 HG23 VAL A 82 9.660 -10.845 -3.587 1.00 53.44 H new ATOM 1285 N ILE A 83 5.701 -13.860 -4.913 1.00 20.53 N ATOM 1286 CA ILE A 83 4.279 -14.052 -5.171 1.00 3.11 C ATOM 1287 C ILE A 83 3.512 -14.290 -3.875 1.00 24.14 C ATOM 1288 O ILE A 83 3.905 -15.116 -3.051 1.00 24.12 O ATOM 1289 CB ILE A 83 4.035 -15.237 -6.124 1.00 12.21 C ATOM 1290 CG1 ILE A 83 2.535 -15.510 -6.259 1.00 44.43 C ATOM 1291 CG2 ILE A 83 4.761 -16.477 -5.625 1.00 4.33 C ATOM 1292 CD1 ILE A 83 2.028 -16.579 -5.317 1.00 2.32 C ATOM 0 H ILE A 83 6.269 -14.699 -5.034 1.00 20.53 H new ATOM 0 HA ILE A 83 3.917 -13.138 -5.641 1.00 3.11 H new ATOM 0 HB ILE A 83 4.429 -14.980 -7.107 1.00 12.21 H new ATOM 0 HG12 ILE A 83 1.988 -14.586 -6.075 1.00 44.43 H new ATOM 0 HG13 ILE A 83 2.319 -15.809 -7.285 1.00 44.43 H new ATOM 0 HG21 ILE A 83 4.579 -17.306 -6.309 1.00 4.33 H new ATOM 0 HG22 ILE A 83 5.831 -16.277 -5.575 1.00 4.33 H new ATOM 0 HG23 ILE A 83 4.394 -16.739 -4.633 1.00 4.33 H new ATOM 0 HD11 ILE A 83 0.958 -16.719 -5.468 1.00 2.32 H new ATOM 0 HD12 ILE A 83 2.549 -17.516 -5.516 1.00 2.32 H new ATOM 0 HD13 ILE A 83 2.212 -16.273 -4.287 1.00 2.32 H new ATOM 1304 N VAL A 84 2.414 -13.562 -3.701 1.00 1.42 N ATOM 1305 CA VAL A 84 1.589 -13.695 -2.506 1.00 62.31 C ATOM 1306 C VAL A 84 0.120 -13.878 -2.870 1.00 62.42 C ATOM 1307 O VAL A 84 -0.388 -13.232 -3.787 1.00 31.05 O ATOM 1308 CB VAL A 84 1.730 -12.467 -1.587 1.00 33.52 C ATOM 1309 CG1 VAL A 84 3.072 -12.487 -0.871 1.00 35.13 C ATOM 1310 CG2 VAL A 84 1.560 -11.183 -2.384 1.00 63.23 C ATOM 0 H VAL A 84 2.075 -12.874 -4.373 1.00 1.42 H new ATOM 0 HA VAL A 84 1.941 -14.579 -1.975 1.00 62.31 H new ATOM 0 HB VAL A 84 0.943 -12.506 -0.834 1.00 33.52 H new ATOM 0 HG11 VAL A 84 3.154 -11.612 -0.226 1.00 35.13 H new ATOM 0 HG12 VAL A 84 3.149 -13.391 -0.267 1.00 35.13 H new ATOM 0 HG13 VAL A 84 3.877 -12.472 -1.606 1.00 35.13 H new ATOM 0 HG21 VAL A 84 1.663 -10.326 -1.719 1.00 63.23 H new ATOM 0 HG22 VAL A 84 2.323 -11.133 -3.161 1.00 63.23 H new ATOM 0 HG23 VAL A 84 0.572 -11.169 -2.844 1.00 63.23 H new ATOM 1320 N ASP A 85 -0.557 -14.763 -2.146 1.00 51.25 N ATOM 1321 CA ASP A 85 -1.970 -15.030 -2.392 1.00 25.42 C ATOM 1322 C ASP A 85 -2.833 -14.461 -1.271 1.00 12.23 C ATOM 1323 O ASP A 85 -2.744 -14.896 -0.123 1.00 31.52 O ATOM 1324 CB ASP A 85 -2.210 -16.535 -2.523 1.00 71.05 C ATOM 1325 CG ASP A 85 -2.958 -16.893 -3.793 1.00 5.10 C ATOM 1326 OD1 ASP A 85 -2.449 -16.577 -4.889 1.00 75.40 O ATOM 1327 OD2 ASP A 85 -4.051 -17.488 -3.690 1.00 50.25 O ATOM 0 H ASP A 85 -0.151 -15.307 -1.385 1.00 51.25 H new ATOM 0 HA ASP A 85 -2.250 -14.542 -3.325 1.00 25.42 H new ATOM 0 HB2 ASP A 85 -1.252 -17.055 -2.510 1.00 71.05 H new ATOM 0 HB3 ASP A 85 -2.776 -16.886 -1.660 1.00 71.05 H new ATOM 1332 N ARG A 86 -3.668 -13.484 -1.612 1.00 24.15 N ATOM 1333 CA ARG A 86 -4.545 -12.853 -0.633 1.00 75.24 C ATOM 1334 C ARG A 86 -3.739 -12.045 0.379 1.00 33.13 C ATOM 1335 O ARG A 86 -3.405 -12.520 1.465 1.00 61.53 O ATOM 1336 CB ARG A 86 -5.381 -13.911 0.091 1.00 43.42 C ATOM 1337 CG ARG A 86 -6.867 -13.828 -0.217 1.00 20.52 C ATOM 1338 CD ARG A 86 -7.206 -14.534 -1.521 1.00 2.24 C ATOM 1339 NE ARG A 86 -8.298 -15.490 -1.358 1.00 40.40 N ATOM 1340 CZ ARG A 86 -8.929 -16.064 -2.376 1.00 32.42 C ATOM 1341 NH1 ARG A 86 -8.578 -15.782 -3.623 1.00 11.23 N ATOM 1342 NH2 ARG A 86 -9.914 -16.924 -2.147 1.00 64.32 N ATOM 0 H ARG A 86 -3.755 -13.113 -2.558 1.00 24.15 H new ATOM 0 HA ARG A 86 -5.212 -12.174 -1.164 1.00 75.24 H new ATOM 0 HB2 ARG A 86 -5.016 -14.901 -0.184 1.00 43.42 H new ATOM 0 HB3 ARG A 86 -5.235 -13.805 1.166 1.00 43.42 H new ATOM 0 HG2 ARG A 86 -7.434 -14.276 0.599 1.00 20.52 H new ATOM 0 HG3 ARG A 86 -7.169 -12.783 -0.279 1.00 20.52 H new ATOM 0 HD2 ARG A 86 -7.481 -13.794 -2.273 1.00 2.24 H new ATOM 0 HD3 ARG A 86 -6.322 -15.053 -1.893 1.00 2.24 H new ATOM 0 HE ARG A 86 -8.592 -15.730 -0.411 1.00 40.40 H new ATOM 0 HH11 ARG A 86 -7.821 -15.122 -3.803 1.00 11.23 H new ATOM 0 HH12 ARG A 86 -9.065 -16.225 -4.402 1.00 11.23 H new ATOM 0 HH21 ARG A 86 -10.186 -17.144 -1.189 1.00 64.32 H new ATOM 0 HH22 ARG A 86 -10.398 -17.365 -2.929 1.00 64.32 H new ATOM 1356 N PRO A 87 -3.419 -10.794 0.018 1.00 44.04 N ATOM 1357 CA PRO A 87 -3.811 -10.218 -1.272 1.00 4.40 C ATOM 1358 C PRO A 87 -3.065 -10.851 -2.441 1.00 65.51 C ATOM 1359 O PRO A 87 -1.991 -11.429 -2.266 1.00 23.02 O ATOM 1360 CB PRO A 87 -3.429 -8.742 -1.131 1.00 55.24 C ATOM 1361 CG PRO A 87 -2.339 -8.727 -0.117 1.00 21.14 C ATOM 1362 CD PRO A 87 -2.648 -9.846 0.840 1.00 40.25 C ATOM 0 HA PRO A 87 -4.867 -10.382 -1.487 1.00 4.40 H new ATOM 0 HB2 PRO A 87 -3.091 -8.328 -2.081 1.00 55.24 H new ATOM 0 HB3 PRO A 87 -4.279 -8.142 -0.807 1.00 55.24 H new ATOM 0 HG2 PRO A 87 -1.367 -8.873 -0.587 1.00 21.14 H new ATOM 0 HG3 PRO A 87 -2.302 -7.769 0.402 1.00 21.14 H new ATOM 0 HD2 PRO A 87 -1.739 -10.301 1.233 1.00 40.25 H new ATOM 0 HD3 PRO A 87 -3.224 -9.495 1.696 1.00 40.25 H new ATOM 1370 N LEU A 88 -3.639 -10.740 -3.634 1.00 0.14 N ATOM 1371 CA LEU A 88 -3.028 -11.302 -4.833 1.00 24.11 C ATOM 1372 C LEU A 88 -2.150 -10.269 -5.532 1.00 42.11 C ATOM 1373 O LEU A 88 -2.651 -9.304 -6.109 1.00 2.05 O ATOM 1374 CB LEU A 88 -4.108 -11.804 -5.793 1.00 1.52 C ATOM 1375 CG LEU A 88 -4.390 -13.306 -5.760 1.00 61.11 C ATOM 1376 CD1 LEU A 88 -5.786 -13.576 -5.220 1.00 41.53 C ATOM 1377 CD2 LEU A 88 -4.227 -13.910 -7.147 1.00 42.45 C ATOM 0 H LEU A 88 -4.527 -10.266 -3.797 1.00 0.14 H new ATOM 0 HA LEU A 88 -2.401 -12.141 -4.532 1.00 24.11 H new ATOM 0 HB2 LEU A 88 -5.036 -11.276 -5.573 1.00 1.52 H new ATOM 0 HB3 LEU A 88 -3.819 -11.531 -6.808 1.00 1.52 H new ATOM 0 HG LEU A 88 -3.668 -13.777 -5.093 1.00 61.11 H new ATOM 0 HD11 LEU A 88 -5.968 -14.651 -5.204 1.00 41.53 H new ATOM 0 HD12 LEU A 88 -5.868 -13.179 -4.208 1.00 41.53 H new ATOM 0 HD13 LEU A 88 -6.524 -13.092 -5.860 1.00 41.53 H new ATOM 0 HD21 LEU A 88 -4.432 -14.980 -7.104 1.00 42.45 H new ATOM 0 HD22 LEU A 88 -4.925 -13.434 -7.835 1.00 42.45 H new ATOM 0 HD23 LEU A 88 -3.207 -13.749 -7.496 1.00 42.45 H new ATOM 1389 N GLN A 89 -0.839 -10.480 -5.478 1.00 23.10 N ATOM 1390 CA GLN A 89 0.108 -9.567 -6.108 1.00 21.43 C ATOM 1391 C GLN A 89 1.542 -10.048 -5.909 1.00 11.12 C ATOM 1392 O GLN A 89 1.776 -11.131 -5.373 1.00 32.22 O ATOM 1393 CB GLN A 89 -0.054 -8.157 -5.537 1.00 64.50 C ATOM 1394 CG GLN A 89 -0.479 -7.128 -6.571 1.00 43.42 C ATOM 1395 CD GLN A 89 0.696 -6.543 -7.330 1.00 64.21 C ATOM 1396 OE1 GLN A 89 0.979 -6.940 -8.461 1.00 51.42 O ATOM 1397 NE2 GLN A 89 1.389 -5.595 -6.710 1.00 50.34 N ATOM 0 H GLN A 89 -0.408 -11.274 -5.005 1.00 23.10 H new ATOM 0 HA GLN A 89 -0.103 -9.545 -7.177 1.00 21.43 H new ATOM 0 HB2 GLN A 89 -0.792 -8.181 -4.736 1.00 64.50 H new ATOM 0 HB3 GLN A 89 0.890 -7.844 -5.091 1.00 64.50 H new ATOM 0 HG2 GLN A 89 -1.168 -7.591 -7.277 1.00 43.42 H new ATOM 0 HG3 GLN A 89 -1.023 -6.324 -6.075 1.00 43.42 H new ATOM 0 HE21 GLN A 89 1.119 -5.296 -5.773 1.00 50.34 H new ATOM 0 HE22 GLN A 89 2.191 -5.165 -7.171 1.00 50.34 H new ATOM 1406 N VAL A 90 2.499 -9.235 -6.344 1.00 41.14 N ATOM 1407 CA VAL A 90 3.910 -9.577 -6.213 1.00 45.45 C ATOM 1408 C VAL A 90 4.693 -8.440 -5.565 1.00 20.31 C ATOM 1409 O VAL A 90 4.278 -7.282 -5.609 1.00 42.12 O ATOM 1410 CB VAL A 90 4.538 -9.902 -7.582 1.00 24.23 C ATOM 1411 CG1 VAL A 90 5.899 -10.558 -7.402 1.00 60.14 C ATOM 1412 CG2 VAL A 90 3.611 -10.793 -8.395 1.00 0.24 C ATOM 0 H VAL A 90 2.323 -8.335 -6.790 1.00 41.14 H new ATOM 0 HA VAL A 90 3.964 -10.461 -5.577 1.00 45.45 H new ATOM 0 HB VAL A 90 4.680 -8.970 -8.128 1.00 24.23 H new ATOM 0 HG11 VAL A 90 6.328 -10.781 -8.379 1.00 60.14 H new ATOM 0 HG12 VAL A 90 6.560 -9.881 -6.861 1.00 60.14 H new ATOM 0 HG13 VAL A 90 5.785 -11.483 -6.837 1.00 60.14 H new ATOM 0 HG21 VAL A 90 4.070 -11.013 -9.359 1.00 0.24 H new ATOM 0 HG22 VAL A 90 3.436 -11.724 -7.856 1.00 0.24 H new ATOM 0 HG23 VAL A 90 2.662 -10.282 -8.554 1.00 0.24 H new ATOM 1422 N PHE A 91 5.828 -8.779 -4.963 1.00 21.33 N ATOM 1423 CA PHE A 91 6.670 -7.787 -4.304 1.00 31.41 C ATOM 1424 C PHE A 91 8.037 -7.701 -4.977 1.00 32.05 C ATOM 1425 O PHE A 91 8.752 -8.698 -5.086 1.00 12.34 O ATOM 1426 CB PHE A 91 6.839 -8.133 -2.823 1.00 74.30 C ATOM 1427 CG PHE A 91 5.544 -8.158 -2.062 1.00 71.30 C ATOM 1428 CD1 PHE A 91 4.669 -7.086 -2.123 1.00 14.12 C ATOM 1429 CD2 PHE A 91 5.202 -9.254 -1.286 1.00 71.34 C ATOM 1430 CE1 PHE A 91 3.477 -7.106 -1.423 1.00 20.22 C ATOM 1431 CE2 PHE A 91 4.011 -9.280 -0.585 1.00 25.45 C ATOM 1432 CZ PHE A 91 3.147 -8.205 -0.654 1.00 25.22 C ATOM 0 H PHE A 91 6.186 -9.733 -4.918 1.00 21.33 H new ATOM 0 HA PHE A 91 6.180 -6.817 -4.390 1.00 31.41 H new ATOM 0 HB2 PHE A 91 7.320 -9.107 -2.738 1.00 74.30 H new ATOM 0 HB3 PHE A 91 7.508 -7.406 -2.362 1.00 74.30 H new ATOM 0 HD1 PHE A 91 4.921 -6.225 -2.724 1.00 14.12 H new ATOM 0 HD2 PHE A 91 5.874 -10.098 -1.228 1.00 71.34 H new ATOM 0 HE1 PHE A 91 2.804 -6.263 -1.477 1.00 20.22 H new ATOM 0 HE2 PHE A 91 3.756 -10.140 0.016 1.00 25.45 H new ATOM 0 HZ PHE A 91 2.215 -8.223 -0.108 1.00 25.22 H new ATOM 1442 N HIS A 92 8.393 -6.502 -5.427 1.00 25.22 N ATOM 1443 CA HIS A 92 9.675 -6.284 -6.089 1.00 74.53 C ATOM 1444 C HIS A 92 10.828 -6.420 -5.100 1.00 11.24 C ATOM 1445 O HIS A 92 10.939 -5.644 -4.150 1.00 32.20 O ATOM 1446 CB HIS A 92 9.707 -4.902 -6.742 1.00 32.20 C ATOM 1447 CG HIS A 92 9.991 -4.940 -8.212 1.00 74.40 C ATOM 1448 ND1 HIS A 92 10.960 -5.746 -8.771 1.00 24.14 N ATOM 1449 CD2 HIS A 92 9.424 -4.267 -9.241 1.00 23.41 C ATOM 1450 CE1 HIS A 92 10.979 -5.566 -10.079 1.00 45.31 C ATOM 1451 NE2 HIS A 92 10.056 -4.674 -10.390 1.00 45.43 N ATOM 0 H HIS A 92 7.813 -5.667 -5.346 1.00 25.22 H new ATOM 0 HA HIS A 92 9.791 -7.045 -6.861 1.00 74.53 H new ATOM 0 HB2 HIS A 92 8.748 -4.410 -6.578 1.00 32.20 H new ATOM 0 HB3 HIS A 92 10.466 -4.294 -6.249 1.00 32.20 H new ATOM 0 HD2 HIS A 92 8.624 -3.545 -9.171 1.00 23.41 H new ATOM 0 HE1 HIS A 92 11.637 -6.064 -10.776 1.00 45.31 H new ATOM 0 HE2 HIS A 92 9.847 -4.341 -11.331 1.00 45.43 H new ATOM 1459 N VAL A 93 11.684 -7.410 -5.328 1.00 23.51 N ATOM 1460 CA VAL A 93 12.829 -7.647 -4.457 1.00 23.21 C ATOM 1461 C VAL A 93 14.137 -7.575 -5.237 1.00 22.51 C ATOM 1462 O VAL A 93 14.320 -8.284 -6.226 1.00 43.43 O ATOM 1463 CB VAL A 93 12.733 -9.019 -3.763 1.00 74.02 C ATOM 1464 CG1 VAL A 93 13.959 -9.268 -2.899 1.00 64.32 C ATOM 1465 CG2 VAL A 93 11.460 -9.108 -2.935 1.00 32.12 C ATOM 0 H VAL A 93 11.606 -8.061 -6.109 1.00 23.51 H new ATOM 0 HA VAL A 93 12.817 -6.864 -3.699 1.00 23.21 H new ATOM 0 HB VAL A 93 12.696 -9.793 -4.530 1.00 74.02 H new ATOM 0 HG11 VAL A 93 13.873 -10.242 -2.417 1.00 64.32 H new ATOM 0 HG12 VAL A 93 14.853 -9.249 -3.522 1.00 64.32 H new ATOM 0 HG13 VAL A 93 14.031 -8.491 -2.137 1.00 64.32 H new ATOM 0 HG21 VAL A 93 11.408 -10.084 -2.452 1.00 32.12 H new ATOM 0 HG22 VAL A 93 11.465 -8.326 -2.175 1.00 32.12 H new ATOM 0 HG23 VAL A 93 10.594 -8.978 -3.584 1.00 32.12 H new ATOM 1475 N GLU A 94 15.044 -6.715 -4.784 1.00 31.45 N ATOM 1476 CA GLU A 94 16.336 -6.551 -5.440 1.00 34.41 C ATOM 1477 C GLU A 94 17.475 -6.649 -4.430 1.00 64.41 C ATOM 1478 O GLU A 94 17.600 -5.814 -3.534 1.00 75.40 O ATOM 1479 CB GLU A 94 16.397 -5.206 -6.165 1.00 53.45 C ATOM 1480 CG GLU A 94 15.174 -4.919 -7.020 1.00 54.21 C ATOM 1481 CD GLU A 94 15.446 -3.893 -8.103 1.00 42.01 C ATOM 1482 OE1 GLU A 94 16.505 -3.988 -8.758 1.00 50.11 O ATOM 1483 OE2 GLU A 94 14.600 -2.995 -8.296 1.00 34.15 O ATOM 0 H GLU A 94 14.908 -6.121 -3.966 1.00 31.45 H new ATOM 0 HA GLU A 94 16.450 -7.354 -6.169 1.00 34.41 H new ATOM 0 HB2 GLU A 94 16.510 -4.411 -5.428 1.00 53.45 H new ATOM 0 HB3 GLU A 94 17.285 -5.183 -6.797 1.00 53.45 H new ATOM 0 HG2 GLU A 94 14.832 -5.846 -7.481 1.00 54.21 H new ATOM 0 HG3 GLU A 94 14.365 -4.563 -6.382 1.00 54.21 H new ATOM 1490 N VAL A 95 18.306 -7.676 -4.582 1.00 32.34 N ATOM 1491 CA VAL A 95 19.436 -7.884 -3.684 1.00 71.53 C ATOM 1492 C VAL A 95 20.759 -7.645 -4.402 1.00 42.33 C ATOM 1493 O VAL A 95 21.013 -8.214 -5.463 1.00 75.32 O ATOM 1494 CB VAL A 95 19.433 -9.309 -3.099 1.00 31.20 C ATOM 1495 CG1 VAL A 95 18.228 -9.512 -2.193 1.00 52.02 C ATOM 1496 CG2 VAL A 95 19.452 -10.343 -4.215 1.00 34.13 C ATOM 0 H VAL A 95 18.218 -8.376 -5.318 1.00 32.34 H new ATOM 0 HA VAL A 95 19.331 -7.165 -2.871 1.00 71.53 H new ATOM 0 HB VAL A 95 20.334 -9.439 -2.499 1.00 31.20 H new ATOM 0 HG11 VAL A 95 18.243 -10.524 -1.789 1.00 52.02 H new ATOM 0 HG12 VAL A 95 18.264 -8.794 -1.374 1.00 52.02 H new ATOM 0 HG13 VAL A 95 17.313 -9.363 -2.766 1.00 52.02 H new ATOM 0 HG21 VAL A 95 19.450 -11.344 -3.784 1.00 34.13 H new ATOM 0 HG22 VAL A 95 18.570 -10.217 -4.843 1.00 34.13 H new ATOM 0 HG23 VAL A 95 20.350 -10.210 -4.819 1.00 34.13 H new ATOM 1506 N GLU A 96 21.600 -6.798 -3.816 1.00 14.02 N ATOM 1507 CA GLU A 96 22.898 -6.483 -4.401 1.00 14.22 C ATOM 1508 C GLU A 96 24.026 -7.129 -3.602 1.00 12.33 C ATOM 1509 O GLU A 96 23.880 -7.402 -2.410 1.00 62.33 O ATOM 1510 CB GLU A 96 23.101 -4.967 -4.458 1.00 64.45 C ATOM 1511 CG GLU A 96 22.261 -4.280 -5.522 1.00 21.33 C ATOM 1512 CD GLU A 96 22.134 -2.787 -5.290 1.00 62.11 C ATOM 1513 OE1 GLU A 96 23.030 -2.039 -5.734 1.00 10.01 O ATOM 1514 OE2 GLU A 96 21.138 -2.367 -4.665 1.00 11.02 O ATOM 0 H GLU A 96 21.406 -6.318 -2.937 1.00 14.02 H new ATOM 0 HA GLU A 96 22.919 -6.884 -5.414 1.00 14.22 H new ATOM 0 HB2 GLU A 96 22.860 -4.540 -3.485 1.00 64.45 H new ATOM 0 HB3 GLU A 96 24.154 -4.757 -4.646 1.00 64.45 H new ATOM 0 HG2 GLU A 96 22.707 -4.455 -6.501 1.00 21.33 H new ATOM 0 HG3 GLU A 96 21.267 -4.727 -5.540 1.00 21.33 H new ATOM 1521 N VAL A 97 25.151 -7.370 -4.267 1.00 21.41 N ATOM 1522 CA VAL A 97 26.305 -7.983 -3.620 1.00 30.41 C ATOM 1523 C VAL A 97 27.096 -6.956 -2.819 1.00 1.44 C ATOM 1524 O VAL A 97 27.216 -5.798 -3.221 1.00 63.52 O ATOM 1525 CB VAL A 97 27.240 -8.645 -4.650 1.00 32.44 C ATOM 1526 CG1 VAL A 97 26.626 -9.933 -5.178 1.00 22.24 C ATOM 1527 CG2 VAL A 97 27.544 -7.684 -5.788 1.00 55.34 C ATOM 0 H VAL A 97 25.288 -7.150 -5.254 1.00 21.41 H new ATOM 0 HA VAL A 97 25.920 -8.748 -2.945 1.00 30.41 H new ATOM 0 HB VAL A 97 28.179 -8.894 -4.155 1.00 32.44 H new ATOM 0 HG11 VAL A 97 27.300 -10.387 -5.904 1.00 22.24 H new ATOM 0 HG12 VAL A 97 26.465 -10.625 -4.351 1.00 22.24 H new ATOM 0 HG13 VAL A 97 25.672 -9.712 -5.657 1.00 22.24 H new ATOM 0 HG21 VAL A 97 28.206 -8.168 -6.506 1.00 55.34 H new ATOM 0 HG22 VAL A 97 26.615 -7.401 -6.284 1.00 55.34 H new ATOM 0 HG23 VAL A 97 28.029 -6.792 -5.391 1.00 55.34 H new ATOM 1537 N ARG A 98 27.634 -7.386 -1.682 1.00 64.34 N ATOM 1538 CA ARG A 98 28.414 -6.503 -0.823 1.00 70.24 C ATOM 1539 C ARG A 98 29.822 -7.052 -0.614 1.00 61.40 C ATOM 1540 O ARG A 98 30.016 -8.033 0.104 1.00 22.41 O ATOM 1541 CB ARG A 98 27.718 -6.326 0.527 1.00 2.24 C ATOM 1542 CG ARG A 98 27.620 -4.877 0.976 1.00 30.03 C ATOM 1543 CD ARG A 98 28.869 -4.440 1.726 1.00 70.13 C ATOM 1544 NE ARG A 98 28.708 -3.123 2.336 1.00 23.35 N ATOM 1545 CZ ARG A 98 29.510 -2.650 3.283 1.00 4.35 C ATOM 1546 NH1 ARG A 98 30.524 -3.381 3.725 1.00 30.24 N ATOM 1547 NH2 ARG A 98 29.300 -1.442 3.790 1.00 14.51 N ATOM 0 H ARG A 98 27.544 -8.341 -1.334 1.00 64.34 H new ATOM 0 HA ARG A 98 28.491 -5.533 -1.315 1.00 70.24 H new ATOM 0 HB2 ARG A 98 26.715 -6.748 0.467 1.00 2.24 H new ATOM 0 HB3 ARG A 98 28.259 -6.896 1.283 1.00 2.24 H new ATOM 0 HG2 ARG A 98 27.473 -4.235 0.107 1.00 30.03 H new ATOM 0 HG3 ARG A 98 26.747 -4.752 1.617 1.00 30.03 H new ATOM 0 HD2 ARG A 98 29.102 -5.172 2.500 1.00 70.13 H new ATOM 0 HD3 ARG A 98 29.716 -4.421 1.040 1.00 70.13 H new ATOM 0 HE ARG A 98 27.938 -2.535 2.018 1.00 23.35 H new ATOM 0 HH11 ARG A 98 30.690 -4.310 3.338 1.00 30.24 H new ATOM 0 HH12 ARG A 98 31.138 -3.015 4.452 1.00 30.24 H new ATOM 0 HH21 ARG A 98 28.522 -0.875 3.452 1.00 14.51 H new ATOM 0 HH22 ARG A 98 29.917 -1.080 4.517 1.00 14.51 H new ATOM 1561 N ASP A 99 30.801 -6.414 -1.246 1.00 55.21 N ATOM 1562 CA ASP A 99 32.191 -6.838 -1.129 1.00 10.41 C ATOM 1563 C ASP A 99 33.106 -5.931 -1.946 1.00 1.11 C ATOM 1564 O ASP A 99 32.682 -4.884 -2.435 1.00 41.53 O ATOM 1565 CB ASP A 99 32.345 -8.288 -1.590 1.00 41.33 C ATOM 1566 CG ASP A 99 33.061 -9.148 -0.568 1.00 2.45 C ATOM 1567 OD1 ASP A 99 34.295 -9.007 -0.433 1.00 61.24 O ATOM 1568 OD2 ASP A 99 32.388 -9.960 0.099 1.00 32.53 O ATOM 0 H ASP A 99 30.657 -5.601 -1.845 1.00 55.21 H new ATOM 0 HA ASP A 99 32.480 -6.766 -0.080 1.00 10.41 H new ATOM 0 HB2 ASP A 99 31.360 -8.710 -1.789 1.00 41.33 H new ATOM 0 HB3 ASP A 99 32.897 -8.311 -2.530 1.00 41.33 H new ATOM 1573 N ILE A 100 34.362 -6.340 -2.088 1.00 3.11 N ATOM 1574 CA ILE A 100 35.337 -5.564 -2.845 1.00 73.33 C ATOM 1575 C ILE A 100 35.995 -6.415 -3.926 1.00 44.53 C ATOM 1576 O ILE A 100 36.040 -7.640 -3.825 1.00 44.30 O ATOM 1577 CB ILE A 100 36.429 -4.983 -1.928 1.00 61.23 C ATOM 1578 CG1 ILE A 100 35.803 -4.398 -0.661 1.00 23.03 C ATOM 1579 CG2 ILE A 100 37.232 -3.923 -2.667 1.00 61.12 C ATOM 1580 CD1 ILE A 100 34.803 -3.296 -0.934 1.00 22.54 C ATOM 0 H ILE A 100 34.729 -7.204 -1.689 1.00 3.11 H new ATOM 0 HA ILE A 100 34.793 -4.743 -3.312 1.00 73.33 H new ATOM 0 HB ILE A 100 37.106 -5.787 -1.638 1.00 61.23 H new ATOM 0 HG12 ILE A 100 35.309 -5.197 -0.107 1.00 23.03 H new ATOM 0 HG13 ILE A 100 36.595 -4.009 -0.021 1.00 23.03 H new ATOM 0 HG21 ILE A 100 38.000 -3.522 -2.006 1.00 61.12 H new ATOM 0 HG22 ILE A 100 37.704 -4.369 -3.543 1.00 61.12 H new ATOM 0 HG23 ILE A 100 36.568 -3.118 -2.983 1.00 61.12 H new ATOM 0 HD11 ILE A 100 34.400 -2.929 0.010 1.00 22.54 H new ATOM 0 HD12 ILE A 100 35.297 -2.479 -1.460 1.00 22.54 H new ATOM 0 HD13 ILE A 100 33.991 -3.685 -1.548 1.00 22.54 H new ATOM 1592 N ASN A 101 36.507 -5.755 -4.960 1.00 41.35 N ATOM 1593 CA ASN A 101 37.165 -6.450 -6.061 1.00 4.14 C ATOM 1594 C ASN A 101 38.629 -6.728 -5.730 1.00 74.53 C ATOM 1595 O ASN A 101 39.081 -7.872 -5.786 1.00 3.01 O ATOM 1596 CB ASN A 101 37.069 -5.623 -7.344 1.00 42.13 C ATOM 1597 CG ASN A 101 36.802 -6.481 -8.566 1.00 12.30 C ATOM 1598 OD1 ASN A 101 36.829 -7.709 -8.494 1.00 20.44 O ATOM 1599 ND2 ASN A 101 36.542 -5.835 -9.697 1.00 13.23 N ATOM 0 H ASN A 101 36.479 -4.740 -5.059 1.00 41.35 H new ATOM 0 HA ASN A 101 36.657 -7.402 -6.212 1.00 4.14 H new ATOM 0 HB2 ASN A 101 36.272 -4.886 -7.240 1.00 42.13 H new ATOM 0 HB3 ASN A 101 37.998 -5.070 -7.487 1.00 42.13 H new ATOM 0 HD21 ASN A 101 36.354 -6.359 -10.552 1.00 13.23 H new ATOM 0 HD22 ASN A 101 36.530 -4.815 -9.711 1.00 13.23 H new ATOM 1606 N ASP A 102 39.362 -5.676 -5.386 1.00 42.11 N ATOM 1607 CA ASP A 102 40.774 -5.807 -5.045 1.00 10.42 C ATOM 1608 C ASP A 102 40.968 -6.808 -3.911 1.00 24.23 C ATOM 1609 O ASP A 102 42.017 -7.442 -3.802 1.00 43.32 O ATOM 1610 CB ASP A 102 41.352 -4.448 -4.647 1.00 3.25 C ATOM 1611 CG ASP A 102 42.856 -4.492 -4.456 1.00 53.34 C ATOM 1612 OD1 ASP A 102 43.584 -4.400 -5.466 1.00 51.14 O ATOM 1613 OD2 ASP A 102 43.304 -4.619 -3.298 1.00 1.35 O ATOM 0 H ASP A 102 39.003 -4.723 -5.336 1.00 42.11 H new ATOM 0 HA ASP A 102 41.303 -6.175 -5.924 1.00 10.42 H new ATOM 0 HB2 ASP A 102 41.107 -3.714 -5.414 1.00 3.25 H new ATOM 0 HB3 ASP A 102 40.881 -4.113 -3.723 1.00 3.25 H new ATOM 1618 N ASN A 103 39.950 -6.945 -3.067 1.00 42.53 N ATOM 1619 CA ASN A 103 40.010 -7.868 -1.940 1.00 11.20 C ATOM 1620 C ASN A 103 41.184 -7.534 -1.025 1.00 2.20 C ATOM 1621 O ASN A 103 41.051 -6.743 -0.092 1.00 12.52 O ATOM 1622 CB ASN A 103 40.132 -9.309 -2.440 1.00 1.31 C ATOM 1623 CG ASN A 103 39.079 -10.220 -1.840 1.00 31.00 C ATOM 1624 OD1 ASN A 103 37.892 -9.892 -1.829 1.00 22.54 O ATOM 1625 ND2 ASN A 103 39.510 -11.371 -1.337 1.00 74.23 N ATOM 0 H ASN A 103 39.074 -6.428 -3.143 1.00 42.53 H new ATOM 0 HA ASN A 103 39.087 -7.766 -1.369 1.00 11.20 H new ATOM 0 HB2 ASN A 103 40.044 -9.322 -3.526 1.00 1.31 H new ATOM 0 HB3 ASN A 103 41.123 -9.693 -2.196 1.00 1.31 H new ATOM 0 HD21 ASN A 103 38.848 -12.025 -0.920 1.00 74.23 H new ATOM 0 HD22 ASN A 103 40.503 -11.601 -1.368 1.00 74.23 H new TER 1632 ASN A 103