USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=9 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= -0.654 K(o=-0.0042,f=-11!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0.649 K(o=-0.0042,f=-11) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.249 K(o=0.25,f=-2.9!) 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) USER MOD Single : A 6 HIS : no HD1:sc= -0.0628 K(o=-0.063,f=-0.64) USER MOD Single : A 7 TYR OH : rot 70:sc= -2.92! 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=-0.00267 K(o=-0.0027,f=-0.6) USER MOD Single : A 17 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 24 GLN : amide:sc= -0.0189 X(o=-0.019,f=0.024) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 72:sc= 0.0374 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.872 K(o=-0.87,f=-2.2) USER MOD Single : A 61 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.28) USER MOD Single : A 62 SER OG : rot 180:sc= 0.223 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 X(o=0,f=-0.05) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 92 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.01) USER MOD Single : A 101 ASN : amide:sc= -1.81 K(o=-1.8,f=-5.5!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.141 3.057 -0.305 1.00 74.24 N ATOM 2 CA GLY A 1 6.366 2.428 -0.762 1.00 21.32 C ATOM 3 C GLY A 1 6.578 1.058 -0.148 1.00 2.12 C ATOM 4 O GLY A 1 7.548 0.839 0.576 1.00 23.31 O ATOM 0 H1 GLY A 1 5.042 3.990 -0.753 1.00 74.24 H new ATOM 0 H2 GLY A 1 4.328 2.461 -0.562 1.00 74.24 H new ATOM 0 H3 GLY A 1 5.174 3.171 0.728 1.00 74.24 H new ATOM 0 HA2 GLY A 1 6.341 2.336 -1.848 1.00 21.32 H new ATOM 0 HA3 GLY A 1 7.213 3.068 -0.516 1.00 21.32 H new ATOM 8 N ASN A 2 5.667 0.134 -0.436 1.00 40.53 N ATOM 9 CA ASN A 2 5.758 -1.221 0.095 1.00 52.22 C ATOM 10 C ASN A 2 6.186 -2.203 -0.991 1.00 72.13 C ATOM 11 O ASN A 2 6.773 -3.246 -0.703 1.00 44.41 O ATOM 12 CB ASN A 2 4.413 -1.650 0.686 1.00 64.43 C ATOM 13 CG ASN A 2 3.322 -1.737 -0.364 1.00 30.24 C ATOM 14 OD1 ASN A 2 3.018 -0.756 -1.042 1.00 12.45 O ATOM 15 ND2 ASN A 2 2.727 -2.916 -0.502 1.00 34.24 N ATOM 0 H ASN A 2 4.857 0.299 -1.034 1.00 40.53 H new ATOM 0 HA ASN A 2 6.512 -1.227 0.882 1.00 52.22 H new ATOM 0 HB2 ASN A 2 4.525 -2.620 1.171 1.00 64.43 H new ATOM 0 HB3 ASN A 2 4.115 -0.940 1.458 1.00 64.43 H new ATOM 0 HD21 ASN A 2 1.985 -3.035 -1.192 1.00 34.24 H new ATOM 0 HD22 ASN A 2 3.012 -3.702 0.082 1.00 34.24 H new ATOM 22 N SER A 3 5.887 -1.862 -2.241 1.00 23.21 N ATOM 23 CA SER A 3 6.238 -2.715 -3.370 1.00 62.04 C ATOM 24 C SER A 3 7.744 -2.702 -3.614 1.00 23.24 C ATOM 25 O SER A 3 8.359 -3.749 -3.818 1.00 51.41 O ATOM 26 CB SER A 3 5.503 -2.256 -4.631 1.00 33.10 C ATOM 27 OG SER A 3 4.170 -2.739 -4.648 1.00 45.04 O ATOM 0 H SER A 3 5.403 -1.001 -2.497 1.00 23.21 H new ATOM 0 HA SER A 3 5.935 -3.734 -3.131 1.00 62.04 H new ATOM 0 HB2 SER A 3 5.499 -1.167 -4.678 1.00 33.10 H new ATOM 0 HB3 SER A 3 6.033 -2.611 -5.515 1.00 33.10 H new ATOM 0 HG SER A 3 3.721 -2.431 -5.463 1.00 45.04 H new ATOM 33 N GLN A 4 8.331 -1.510 -3.590 1.00 0.13 N ATOM 34 CA GLN A 4 9.765 -1.360 -3.808 1.00 71.12 C ATOM 35 C GLN A 4 10.550 -1.751 -2.560 1.00 75.43 C ATOM 36 O GLN A 4 10.592 -1.004 -1.583 1.00 3.13 O ATOM 37 CB GLN A 4 10.094 0.081 -4.201 1.00 64.03 C ATOM 38 CG GLN A 4 11.584 0.344 -4.355 1.00 53.14 C ATOM 39 CD GLN A 4 11.877 1.704 -4.959 1.00 33.41 C ATOM 40 OE1 GLN A 4 12.571 1.810 -5.970 1.00 52.05 O ATOM 41 NE2 GLN A 4 11.348 2.753 -4.340 1.00 71.31 N ATOM 0 H GLN A 4 7.836 -0.634 -3.422 1.00 0.13 H new ATOM 0 HA GLN A 4 10.055 -2.026 -4.620 1.00 71.12 H new ATOM 0 HB2 GLN A 4 9.593 0.316 -5.140 1.00 64.03 H new ATOM 0 HB3 GLN A 4 9.690 0.756 -3.446 1.00 64.03 H new ATOM 0 HG2 GLN A 4 12.064 0.273 -3.379 1.00 53.14 H new ATOM 0 HG3 GLN A 4 12.023 -0.431 -4.984 1.00 53.14 H new ATOM 0 HE21 GLN A 4 10.779 2.618 -3.504 1.00 71.31 H new ATOM 0 HE22 GLN A 4 11.511 3.693 -4.700 1.00 71.31 H new ATOM 50 N ILE A 5 11.168 -2.927 -2.601 1.00 1.42 N ATOM 51 CA ILE A 5 11.952 -3.416 -1.473 1.00 74.14 C ATOM 52 C ILE A 5 13.278 -4.006 -1.940 1.00 42.45 C ATOM 53 O ILE A 5 13.340 -4.693 -2.961 1.00 12.43 O ATOM 54 CB ILE A 5 11.182 -4.484 -0.674 1.00 15.31 C ATOM 55 CG1 ILE A 5 9.761 -4.001 -0.374 1.00 74.54 C ATOM 56 CG2 ILE A 5 11.918 -4.813 0.616 1.00 11.10 C ATOM 57 CD1 ILE A 5 9.712 -2.788 0.527 1.00 51.31 C ATOM 0 H ILE A 5 11.141 -3.558 -3.402 1.00 1.42 H new ATOM 0 HA ILE A 5 12.145 -2.559 -0.828 1.00 74.14 H new ATOM 0 HB ILE A 5 11.119 -5.391 -1.275 1.00 15.31 H new ATOM 0 HG12 ILE A 5 9.260 -3.766 -1.313 1.00 74.54 H new ATOM 0 HG13 ILE A 5 9.201 -4.812 0.092 1.00 74.54 H new ATOM 0 HG21 ILE A 5 11.362 -5.569 1.170 1.00 11.10 H new ATOM 0 HG22 ILE A 5 12.912 -5.194 0.381 1.00 11.10 H new ATOM 0 HG23 ILE A 5 12.009 -3.912 1.223 1.00 11.10 H new ATOM 0 HD11 ILE A 5 8.674 -2.502 0.696 1.00 51.31 H new ATOM 0 HD12 ILE A 5 10.184 -3.024 1.481 1.00 51.31 H new ATOM 0 HD13 ILE A 5 10.243 -1.962 0.054 1.00 51.31 H new ATOM 69 N HIS A 6 14.339 -3.734 -1.186 1.00 75.12 N ATOM 70 CA HIS A 6 15.665 -4.240 -1.521 1.00 51.35 C ATOM 71 C HIS A 6 16.406 -4.694 -0.268 1.00 21.13 C ATOM 72 O HIS A 6 16.164 -4.185 0.827 1.00 21.31 O ATOM 73 CB HIS A 6 16.476 -3.165 -2.246 1.00 14.52 C ATOM 74 CG HIS A 6 16.490 -1.845 -1.537 1.00 35.55 C ATOM 75 ND1 HIS A 6 17.193 -1.625 -0.371 1.00 51.12 N ATOM 76 CD2 HIS A 6 15.882 -0.673 -1.835 1.00 60.31 C ATOM 77 CE1 HIS A 6 17.016 -0.375 0.017 1.00 1.33 C ATOM 78 NE2 HIS A 6 16.225 0.224 -0.854 1.00 52.52 N ATOM 0 H HIS A 6 14.306 -3.166 -0.339 1.00 75.12 H new ATOM 0 HA HIS A 6 15.543 -5.099 -2.181 1.00 51.35 H new ATOM 0 HB2 HIS A 6 17.501 -3.514 -2.366 1.00 14.52 H new ATOM 0 HB3 HIS A 6 16.067 -3.026 -3.247 1.00 14.52 H new ATOM 0 HD2 HIS A 6 15.246 -0.480 -2.686 1.00 60.31 H new ATOM 0 HE1 HIS A 6 17.445 0.080 0.897 1.00 1.33 H new ATOM 0 HE2 HIS A 6 15.918 1.196 -0.806 1.00 52.52 H new ATOM 86 N TYR A 7 17.308 -5.654 -0.435 1.00 65.32 N ATOM 87 CA TYR A 7 18.082 -6.179 0.683 1.00 24.54 C ATOM 88 C TYR A 7 19.579 -6.042 0.422 1.00 22.32 C ATOM 89 O TYR A 7 19.999 -5.689 -0.680 1.00 32.51 O ATOM 90 CB TYR A 7 17.729 -7.647 0.931 1.00 51.11 C ATOM 91 CG TYR A 7 16.243 -7.925 0.903 1.00 11.11 C ATOM 92 CD1 TYR A 7 15.340 -7.037 1.474 1.00 55.53 C ATOM 93 CD2 TYR A 7 15.742 -9.076 0.307 1.00 3.24 C ATOM 94 CE1 TYR A 7 13.981 -7.286 1.451 1.00 30.44 C ATOM 95 CE2 TYR A 7 14.385 -9.333 0.279 1.00 24.21 C ATOM 96 CZ TYR A 7 13.509 -8.436 0.853 1.00 51.35 C ATOM 97 OH TYR A 7 12.157 -8.689 0.828 1.00 75.24 O ATOM 0 H TYR A 7 17.521 -6.085 -1.335 1.00 65.32 H new ATOM 0 HA TYR A 7 17.831 -5.597 1.570 1.00 24.54 H new ATOM 0 HB2 TYR A 7 18.220 -8.262 0.177 1.00 51.11 H new ATOM 0 HB3 TYR A 7 18.129 -7.950 1.899 1.00 51.11 H new ATOM 0 HD1 TYR A 7 15.707 -6.136 1.944 1.00 55.53 H new ATOM 0 HD2 TYR A 7 16.425 -9.782 -0.142 1.00 3.24 H new ATOM 0 HE1 TYR A 7 13.293 -6.584 1.899 1.00 30.44 H new ATOM 0 HE2 TYR A 7 14.012 -10.232 -0.190 1.00 24.21 H new ATOM 0 HH TYR A 7 11.717 -8.058 0.221 1.00 75.24 H new ATOM 107 N SER A 8 20.380 -6.325 1.445 1.00 50.21 N ATOM 108 CA SER A 8 21.830 -6.230 1.329 1.00 65.42 C ATOM 109 C SER A 8 22.499 -7.510 1.822 1.00 44.04 C ATOM 110 O SER A 8 22.186 -8.010 2.902 1.00 20.42 O ATOM 111 CB SER A 8 22.350 -5.031 2.124 1.00 71.00 C ATOM 112 OG SER A 8 21.693 -4.926 3.375 1.00 2.33 O ATOM 0 H SER A 8 20.049 -6.622 2.363 1.00 50.21 H new ATOM 0 HA SER A 8 22.077 -6.093 0.276 1.00 65.42 H new ATOM 0 HB2 SER A 8 23.424 -5.133 2.281 1.00 71.00 H new ATOM 0 HB3 SER A 8 22.197 -4.116 1.551 1.00 71.00 H new ATOM 0 HG SER A 8 22.044 -4.153 3.865 1.00 2.33 H new ATOM 118 N ILE A 9 23.422 -8.034 1.021 1.00 12.25 N ATOM 119 CA ILE A 9 24.136 -9.254 1.376 1.00 40.11 C ATOM 120 C ILE A 9 25.531 -9.272 0.761 1.00 24.42 C ATOM 121 O ILE A 9 25.703 -9.179 -0.454 1.00 54.14 O ATOM 122 CB ILE A 9 23.369 -10.508 0.918 1.00 30.51 C ATOM 123 CG1 ILE A 9 24.223 -11.760 1.130 1.00 73.53 C ATOM 124 CG2 ILE A 9 22.964 -10.378 -0.542 1.00 54.24 C ATOM 125 CD1 ILE A 9 23.481 -13.051 0.857 1.00 3.54 C ATOM 0 H ILE A 9 23.692 -7.633 0.123 1.00 12.25 H new ATOM 0 HA ILE A 9 24.220 -9.266 2.463 1.00 40.11 H new ATOM 0 HB ILE A 9 22.464 -10.602 1.518 1.00 30.51 H new ATOM 0 HG12 ILE A 9 25.097 -11.708 0.481 1.00 73.53 H new ATOM 0 HG13 ILE A 9 24.589 -11.771 2.157 1.00 73.53 H new ATOM 0 HG21 ILE A 9 22.423 -11.272 -0.850 1.00 54.24 H new ATOM 0 HG22 ILE A 9 22.323 -9.505 -0.665 1.00 54.24 H new ATOM 0 HG23 ILE A 9 23.856 -10.263 -1.158 1.00 54.24 H new ATOM 0 HD11 ILE A 9 24.147 -13.897 1.027 1.00 3.54 H new ATOM 0 HD12 ILE A 9 22.622 -13.125 1.524 1.00 3.54 H new ATOM 0 HD13 ILE A 9 23.138 -13.062 -0.178 1.00 3.54 H new ATOM 137 N PRO A 10 26.554 -9.398 1.620 1.00 45.45 N ATOM 138 CA PRO A 10 27.954 -9.434 1.184 1.00 54.04 C ATOM 139 C PRO A 10 28.295 -10.719 0.437 1.00 51.12 C ATOM 140 O PRO A 10 27.900 -11.809 0.848 1.00 70.40 O ATOM 141 CB PRO A 10 28.736 -9.355 2.497 1.00 44.44 C ATOM 142 CG PRO A 10 27.808 -9.902 3.525 1.00 53.40 C ATOM 143 CD PRO A 10 26.424 -9.514 3.082 1.00 42.13 C ATOM 0 HA PRO A 10 28.185 -8.630 0.486 1.00 54.04 H new ATOM 0 HB2 PRO A 10 29.656 -9.937 2.445 1.00 44.44 H new ATOM 0 HB3 PRO A 10 29.021 -8.328 2.727 1.00 44.44 H new ATOM 0 HG2 PRO A 10 27.904 -10.985 3.601 1.00 53.40 H new ATOM 0 HG3 PRO A 10 28.032 -9.492 4.510 1.00 53.40 H new ATOM 0 HD2 PRO A 10 25.687 -10.267 3.361 1.00 42.13 H new ATOM 0 HD3 PRO A 10 26.106 -8.574 3.533 1.00 42.13 H new ATOM 151 N GLU A 11 29.031 -10.582 -0.662 1.00 11.03 N ATOM 152 CA GLU A 11 29.424 -11.733 -1.465 1.00 64.52 C ATOM 153 C GLU A 11 29.986 -12.845 -0.584 1.00 23.41 C ATOM 154 O GLU A 11 30.347 -12.614 0.569 1.00 3.14 O ATOM 155 CB GLU A 11 30.463 -11.323 -2.511 1.00 51.41 C ATOM 156 CG GLU A 11 29.874 -10.566 -3.690 1.00 34.14 C ATOM 157 CD GLU A 11 30.836 -10.464 -4.857 1.00 54.22 C ATOM 158 OE1 GLU A 11 31.985 -10.025 -4.643 1.00 52.12 O ATOM 159 OE2 GLU A 11 30.439 -10.823 -5.985 1.00 74.45 O ATOM 0 H GLU A 11 29.366 -9.686 -1.016 1.00 11.03 H new ATOM 0 HA GLU A 11 28.536 -12.109 -1.973 1.00 64.52 H new ATOM 0 HB2 GLU A 11 31.221 -10.702 -2.034 1.00 51.41 H new ATOM 0 HB3 GLU A 11 30.968 -12.216 -2.879 1.00 51.41 H new ATOM 0 HG2 GLU A 11 28.962 -11.065 -4.018 1.00 34.14 H new ATOM 0 HG3 GLU A 11 29.591 -9.564 -3.369 1.00 34.14 H new ATOM 166 N GLU A 12 30.056 -14.052 -1.137 1.00 31.44 N ATOM 167 CA GLU A 12 30.572 -15.200 -0.400 1.00 63.34 C ATOM 168 C GLU A 12 29.669 -15.540 0.781 1.00 14.04 C ATOM 169 O GLU A 12 30.099 -16.176 1.743 1.00 61.22 O ATOM 170 CB GLU A 12 31.993 -14.920 0.094 1.00 70.11 C ATOM 171 CG GLU A 12 32.779 -16.176 0.432 1.00 74.13 C ATOM 172 CD GLU A 12 34.072 -16.284 -0.353 1.00 12.13 C ATOM 173 OE1 GLU A 12 34.836 -15.296 -0.377 1.00 73.52 O ATOM 174 OE2 GLU A 12 34.320 -17.357 -0.942 1.00 53.32 O ATOM 0 H GLU A 12 29.762 -14.260 -2.091 1.00 31.44 H new ATOM 0 HA GLU A 12 30.592 -16.054 -1.077 1.00 63.34 H new ATOM 0 HB2 GLU A 12 32.531 -14.360 -0.671 1.00 70.11 H new ATOM 0 HB3 GLU A 12 31.943 -14.284 0.978 1.00 70.11 H new ATOM 0 HG2 GLU A 12 33.004 -16.183 1.498 1.00 74.13 H new ATOM 0 HG3 GLU A 12 32.162 -17.052 0.231 1.00 74.13 H new ATOM 181 N ALA A 13 28.414 -15.110 0.702 1.00 75.13 N ATOM 182 CA ALA A 13 27.448 -15.369 1.763 1.00 64.32 C ATOM 183 C ALA A 13 27.032 -16.836 1.780 1.00 72.13 C ATOM 184 O ALA A 13 26.193 -17.263 0.986 1.00 32.33 O ATOM 185 CB ALA A 13 26.229 -14.474 1.598 1.00 63.14 C ATOM 0 H ALA A 13 28.042 -14.580 -0.086 1.00 75.13 H new ATOM 0 HA ALA A 13 27.924 -15.142 2.717 1.00 64.32 H new ATOM 0 HB1 ALA A 13 25.517 -14.679 2.397 1.00 63.14 H new ATOM 0 HB2 ALA A 13 26.536 -13.429 1.644 1.00 63.14 H new ATOM 0 HB3 ALA A 13 25.760 -14.672 0.634 1.00 63.14 H new ATOM 191 N LYS A 14 27.624 -17.604 2.688 1.00 15.03 N ATOM 192 CA LYS A 14 27.314 -19.024 2.810 1.00 40.34 C ATOM 193 C LYS A 14 25.829 -19.235 3.088 1.00 4.15 C ATOM 194 O LYS A 14 25.165 -18.368 3.657 1.00 33.11 O ATOM 195 CB LYS A 14 28.148 -19.655 3.926 1.00 5.04 C ATOM 196 CG LYS A 14 29.647 -19.556 3.697 1.00 54.05 C ATOM 197 CD LYS A 14 30.119 -20.558 2.656 1.00 15.12 C ATOM 198 CE LYS A 14 31.127 -19.937 1.702 1.00 62.21 C ATOM 199 NZ LYS A 14 32.491 -19.880 2.297 1.00 41.22 N ATOM 0 H LYS A 14 28.322 -17.267 3.351 1.00 15.03 H new ATOM 0 HA LYS A 14 27.560 -19.507 1.864 1.00 40.34 H new ATOM 0 HB2 LYS A 14 27.901 -19.171 4.871 1.00 5.04 H new ATOM 0 HB3 LYS A 14 27.873 -20.705 4.024 1.00 5.04 H new ATOM 0 HG2 LYS A 14 29.901 -18.547 3.373 1.00 54.05 H new ATOM 0 HG3 LYS A 14 30.172 -19.731 4.636 1.00 54.05 H new ATOM 0 HD2 LYS A 14 30.569 -21.417 3.154 1.00 15.12 H new ATOM 0 HD3 LYS A 14 29.263 -20.929 2.092 1.00 15.12 H new ATOM 0 HE2 LYS A 14 31.157 -20.515 0.779 1.00 62.21 H new ATOM 0 HE3 LYS A 14 30.804 -18.930 1.437 1.00 62.21 H new ATOM 0 HZ1 LYS A 14 33.149 -19.450 1.616 1.00 41.22 H new ATOM 0 HZ2 LYS A 14 32.468 -19.307 3.165 1.00 41.22 H new ATOM 0 HZ3 LYS A 14 32.810 -20.843 2.527 1.00 41.22 H new ATOM 213 N HIS A 15 25.315 -20.393 2.686 1.00 41.20 N ATOM 214 CA HIS A 15 23.909 -20.718 2.895 1.00 72.52 C ATOM 215 C HIS A 15 23.510 -20.497 4.351 1.00 63.41 C ATOM 216 O HIS A 15 24.104 -21.074 5.262 1.00 54.15 O ATOM 217 CB HIS A 15 23.634 -22.168 2.493 1.00 0.11 C ATOM 218 CG HIS A 15 23.924 -22.455 1.052 1.00 22.42 C ATOM 219 ND1 HIS A 15 25.177 -22.802 0.591 1.00 12.33 N ATOM 220 CD2 HIS A 15 23.115 -22.448 -0.032 1.00 75.25 C ATOM 221 CE1 HIS A 15 25.126 -22.993 -0.715 1.00 35.32 C ATOM 222 NE2 HIS A 15 23.885 -22.786 -1.118 1.00 10.40 N ATOM 0 H HIS A 15 25.851 -21.121 2.214 1.00 41.20 H new ATOM 0 HA HIS A 15 23.312 -20.055 2.269 1.00 72.52 H new ATOM 0 HB2 HIS A 15 24.237 -22.830 3.115 1.00 0.11 H new ATOM 0 HB3 HIS A 15 22.589 -22.402 2.698 1.00 0.11 H new ATOM 0 HD2 HIS A 15 22.060 -22.219 -0.042 1.00 75.25 H new ATOM 0 HE1 HIS A 15 25.957 -23.271 -1.346 1.00 35.32 H new ATOM 0 HE2 HIS A 15 23.553 -22.864 -2.079 1.00 10.40 H new ATOM 230 N GLY A 16 22.501 -19.658 4.563 1.00 45.53 N ATOM 231 CA GLY A 16 22.042 -19.375 5.910 1.00 40.31 C ATOM 232 C GLY A 16 22.456 -17.997 6.386 1.00 2.53 C ATOM 233 O GLY A 16 22.276 -17.655 7.556 1.00 54.45 O ATOM 0 H GLY A 16 21.993 -19.169 3.826 1.00 45.53 H new ATOM 0 HA2 GLY A 16 20.956 -19.457 5.945 1.00 40.31 H new ATOM 0 HA3 GLY A 16 22.440 -20.126 6.592 1.00 40.31 H new ATOM 237 N THR A 17 23.016 -17.202 5.479 1.00 15.32 N ATOM 238 CA THR A 17 23.459 -15.854 5.813 1.00 23.33 C ATOM 239 C THR A 17 22.306 -14.861 5.738 1.00 54.25 C ATOM 240 O THR A 17 21.431 -14.974 4.878 1.00 3.21 O ATOM 241 CB THR A 17 24.588 -15.386 4.875 1.00 12.34 C ATOM 242 OG1 THR A 17 25.727 -16.242 5.014 1.00 3.43 O ATOM 243 CG2 THR A 17 24.985 -13.950 5.182 1.00 3.24 C ATOM 0 H THR A 17 23.173 -17.469 4.507 1.00 15.32 H new ATOM 0 HA THR A 17 23.837 -15.889 6.835 1.00 23.33 H new ATOM 0 HB THR A 17 24.222 -15.434 3.849 1.00 12.34 H new ATOM 0 HG1 THR A 17 25.702 -16.935 4.321 1.00 3.43 H new ATOM 0 HG21 THR A 17 25.784 -13.641 4.507 1.00 3.24 H new ATOM 0 HG22 THR A 17 24.123 -13.297 5.046 1.00 3.24 H new ATOM 0 HG23 THR A 17 25.334 -13.881 6.212 1.00 3.24 H new ATOM 251 N PHE A 18 22.309 -13.887 6.642 1.00 42.14 N ATOM 252 CA PHE A 18 21.262 -12.873 6.677 1.00 51.30 C ATOM 253 C PHE A 18 21.308 -11.999 5.427 1.00 62.23 C ATOM 254 O PHE A 18 22.382 -11.609 4.967 1.00 32.43 O ATOM 255 CB PHE A 18 21.408 -12.002 7.927 1.00 74.13 C ATOM 256 CG PHE A 18 20.802 -10.635 7.779 1.00 23.42 C ATOM 257 CD1 PHE A 18 19.439 -10.484 7.586 1.00 34.41 C ATOM 258 CD2 PHE A 18 21.597 -9.502 7.833 1.00 1.20 C ATOM 259 CE1 PHE A 18 18.878 -9.228 7.450 1.00 22.23 C ATOM 260 CE2 PHE A 18 21.042 -8.243 7.698 1.00 24.13 C ATOM 261 CZ PHE A 18 19.682 -8.106 7.505 1.00 34.15 C ATOM 0 H PHE A 18 23.025 -13.779 7.360 1.00 42.14 H new ATOM 0 HA PHE A 18 20.299 -13.383 6.707 1.00 51.30 H new ATOM 0 HB2 PHE A 18 20.939 -12.509 8.770 1.00 74.13 H new ATOM 0 HB3 PHE A 18 22.466 -11.898 8.166 1.00 74.13 H new ATOM 0 HD1 PHE A 18 18.807 -11.358 7.541 1.00 34.41 H new ATOM 0 HD2 PHE A 18 22.662 -9.603 7.982 1.00 1.20 H new ATOM 0 HE1 PHE A 18 17.813 -9.124 7.301 1.00 22.23 H new ATOM 0 HE2 PHE A 18 21.672 -7.367 7.744 1.00 24.13 H new ATOM 0 HZ PHE A 18 19.247 -7.123 7.397 1.00 34.15 H new ATOM 271 N VAL A 19 20.135 -11.696 4.880 1.00 10.02 N ATOM 272 CA VAL A 19 20.040 -10.868 3.683 1.00 21.55 C ATOM 273 C VAL A 19 19.242 -9.598 3.956 1.00 62.25 C ATOM 274 O VAL A 19 19.734 -8.489 3.754 1.00 11.42 O ATOM 275 CB VAL A 19 19.382 -11.636 2.521 1.00 3.22 C ATOM 276 CG1 VAL A 19 19.438 -10.816 1.241 1.00 61.51 C ATOM 277 CG2 VAL A 19 20.053 -12.988 2.329 1.00 50.54 C ATOM 0 H VAL A 19 19.237 -12.012 5.247 1.00 10.02 H new ATOM 0 HA VAL A 19 21.058 -10.600 3.401 1.00 21.55 H new ATOM 0 HB VAL A 19 18.334 -11.809 2.768 1.00 3.22 H new ATOM 0 HG11 VAL A 19 18.969 -11.374 0.431 1.00 61.51 H new ATOM 0 HG12 VAL A 19 18.908 -9.875 1.388 1.00 61.51 H new ATOM 0 HG13 VAL A 19 20.478 -10.611 0.986 1.00 61.51 H new ATOM 0 HG21 VAL A 19 19.576 -13.517 1.504 1.00 50.54 H new ATOM 0 HG22 VAL A 19 21.109 -12.841 2.103 1.00 50.54 H new ATOM 0 HG23 VAL A 19 19.955 -13.576 3.242 1.00 50.54 H new ATOM 287 N GLY A 20 18.006 -9.769 4.415 1.00 24.14 N ATOM 288 CA GLY A 20 17.159 -8.628 4.708 1.00 4.43 C ATOM 289 C GLY A 20 15.742 -9.033 5.062 1.00 42.21 C ATOM 290 O GLY A 20 15.170 -9.924 4.435 1.00 75.12 O ATOM 0 H GLY A 20 17.576 -10.678 4.589 1.00 24.14 H new ATOM 0 HA2 GLY A 20 17.589 -8.063 5.535 1.00 4.43 H new ATOM 0 HA3 GLY A 20 17.139 -7.963 3.844 1.00 4.43 H new ATOM 294 N ARG A 21 15.175 -8.378 6.070 1.00 24.32 N ATOM 295 CA ARG A 21 13.817 -8.677 6.508 1.00 24.50 C ATOM 296 C ARG A 21 12.813 -8.402 5.393 1.00 43.34 C ATOM 297 O ARG A 21 12.529 -7.247 5.071 1.00 23.34 O ATOM 298 CB ARG A 21 13.463 -7.849 7.744 1.00 1.22 C ATOM 299 CG ARG A 21 13.666 -6.354 7.554 1.00 20.53 C ATOM 300 CD ARG A 21 13.944 -5.658 8.877 1.00 43.41 C ATOM 301 NE ARG A 21 15.323 -5.185 8.967 1.00 23.32 N ATOM 302 CZ ARG A 21 15.884 -4.766 10.096 1.00 22.42 C ATOM 303 NH1 ARG A 21 15.188 -4.762 11.224 1.00 13.43 N ATOM 304 NH2 ARG A 21 17.145 -4.352 10.098 1.00 14.31 N ATOM 0 H ARG A 21 15.635 -7.637 6.599 1.00 24.32 H new ATOM 0 HA ARG A 21 13.769 -9.736 6.763 1.00 24.50 H new ATOM 0 HB2 ARG A 21 12.422 -8.035 8.010 1.00 1.22 H new ATOM 0 HB3 ARG A 21 14.071 -8.186 8.583 1.00 1.22 H new ATOM 0 HG2 ARG A 21 14.497 -6.182 6.870 1.00 20.53 H new ATOM 0 HG3 ARG A 21 12.778 -5.921 7.093 1.00 20.53 H new ATOM 0 HD2 ARG A 21 13.263 -4.815 8.993 1.00 43.41 H new ATOM 0 HD3 ARG A 21 13.742 -6.346 9.698 1.00 43.41 H new ATOM 0 HE ARG A 21 15.886 -5.176 8.117 1.00 23.32 H new ATOM 0 HH11 ARG A 21 14.219 -5.081 11.227 1.00 13.43 H new ATOM 0 HH12 ARG A 21 15.621 -4.440 12.089 1.00 13.43 H new ATOM 0 HH21 ARG A 21 17.684 -4.355 9.232 1.00 14.31 H new ATOM 0 HH22 ARG A 21 17.575 -4.030 10.965 1.00 14.31 H new ATOM 318 N ILE A 22 12.280 -9.468 4.806 1.00 25.33 N ATOM 319 CA ILE A 22 11.308 -9.341 3.728 1.00 42.32 C ATOM 320 C ILE A 22 9.946 -8.914 4.264 1.00 72.14 C ATOM 321 O ILE A 22 9.279 -8.058 3.682 1.00 21.44 O ATOM 322 CB ILE A 22 11.151 -10.662 2.952 1.00 45.10 C ATOM 323 CG1 ILE A 22 10.139 -10.495 1.817 1.00 41.01 C ATOM 324 CG2 ILE A 22 10.723 -11.780 3.891 1.00 43.22 C ATOM 325 CD1 ILE A 22 10.589 -11.112 0.511 1.00 54.32 C ATOM 0 H ILE A 22 12.505 -10.430 5.059 1.00 25.33 H new ATOM 0 HA ILE A 22 11.686 -8.575 3.051 1.00 42.32 H new ATOM 0 HB ILE A 22 12.115 -10.928 2.518 1.00 45.10 H new ATOM 0 HG12 ILE A 22 9.193 -10.946 2.116 1.00 41.01 H new ATOM 0 HG13 ILE A 22 9.951 -9.433 1.662 1.00 41.01 H new ATOM 0 HG21 ILE A 22 10.616 -12.707 3.328 1.00 43.22 H new ATOM 0 HG22 ILE A 22 11.477 -11.912 4.667 1.00 43.22 H new ATOM 0 HG23 ILE A 22 9.769 -11.523 4.351 1.00 43.22 H new ATOM 0 HD11 ILE A 22 9.823 -10.956 -0.248 1.00 54.32 H new ATOM 0 HD12 ILE A 22 11.520 -10.644 0.189 1.00 54.32 H new ATOM 0 HD13 ILE A 22 10.749 -12.181 0.650 1.00 54.32 H new ATOM 337 N ALA A 23 9.539 -9.515 5.377 1.00 61.42 N ATOM 338 CA ALA A 23 8.258 -9.195 5.994 1.00 71.12 C ATOM 339 C ALA A 23 8.274 -7.795 6.597 1.00 2.24 C ATOM 340 O ALA A 23 7.421 -6.965 6.284 1.00 45.32 O ATOM 341 CB ALA A 23 7.912 -10.226 7.057 1.00 32.55 C ATOM 0 H ALA A 23 10.078 -10.227 5.870 1.00 61.42 H new ATOM 0 HA ALA A 23 7.493 -9.219 5.218 1.00 71.12 H new ATOM 0 HB1 ALA A 23 6.953 -9.974 7.509 1.00 32.55 H new ATOM 0 HB2 ALA A 23 7.850 -11.213 6.600 1.00 32.55 H new ATOM 0 HB3 ALA A 23 8.685 -10.230 7.825 1.00 32.55 H new ATOM 347 N GLN A 24 9.249 -7.540 7.464 1.00 32.55 N ATOM 348 CA GLN A 24 9.374 -6.240 8.113 1.00 71.43 C ATOM 349 C GLN A 24 9.429 -5.120 7.079 1.00 14.04 C ATOM 350 O GLN A 24 8.861 -4.047 7.283 1.00 52.45 O ATOM 351 CB GLN A 24 10.626 -6.203 8.990 1.00 45.31 C ATOM 352 CG GLN A 24 10.383 -5.621 10.373 1.00 2.11 C ATOM 353 CD GLN A 24 10.487 -4.109 10.397 1.00 52.33 C ATOM 354 OE1 GLN A 24 9.633 -3.408 9.853 1.00 52.22 O ATOM 355 NE2 GLN A 24 11.536 -3.597 11.029 1.00 44.32 N ATOM 0 H GLN A 24 9.964 -8.216 7.733 1.00 32.55 H new ATOM 0 HA GLN A 24 8.496 -6.088 8.740 1.00 71.43 H new ATOM 0 HB2 GLN A 24 11.016 -7.215 9.094 1.00 45.31 H new ATOM 0 HB3 GLN A 24 11.394 -5.615 8.487 1.00 45.31 H new ATOM 0 HG2 GLN A 24 9.393 -5.919 10.719 1.00 2.11 H new ATOM 0 HG3 GLN A 24 11.105 -6.042 11.072 1.00 2.11 H new ATOM 0 HE21 GLN A 24 12.220 -4.215 11.466 1.00 44.32 H new ATOM 0 HE22 GLN A 24 11.658 -2.586 11.078 1.00 44.32 H new ATOM 364 N ASP A 25 10.115 -5.377 5.972 1.00 44.34 N ATOM 365 CA ASP A 25 10.244 -4.390 4.906 1.00 52.24 C ATOM 366 C ASP A 25 8.947 -4.278 4.109 1.00 23.25 C ATOM 367 O ASP A 25 8.607 -3.208 3.603 1.00 4.01 O ATOM 368 CB ASP A 25 11.399 -4.761 3.974 1.00 35.30 C ATOM 369 CG ASP A 25 12.754 -4.498 4.599 1.00 24.12 C ATOM 370 OD1 ASP A 25 12.796 -3.927 5.709 1.00 15.21 O ATOM 371 OD2 ASP A 25 13.774 -4.864 3.979 1.00 63.11 O ATOM 0 H ASP A 25 10.591 -6.260 5.789 1.00 44.34 H new ATOM 0 HA ASP A 25 10.453 -3.423 5.364 1.00 52.24 H new ATOM 0 HB2 ASP A 25 11.323 -5.815 3.708 1.00 35.30 H new ATOM 0 HB3 ASP A 25 11.312 -4.192 3.048 1.00 35.30 H new ATOM 376 N LEU A 26 8.228 -5.390 4.002 1.00 53.42 N ATOM 377 CA LEU A 26 6.968 -5.417 3.266 1.00 23.41 C ATOM 378 C LEU A 26 5.886 -4.640 4.009 1.00 24.31 C ATOM 379 O LEU A 26 5.085 -3.935 3.399 1.00 55.43 O ATOM 380 CB LEU A 26 6.515 -6.862 3.046 1.00 1.24 C ATOM 381 CG LEU A 26 6.712 -7.420 1.637 1.00 50.05 C ATOM 382 CD1 LEU A 26 8.147 -7.214 1.176 1.00 13.33 C ATOM 383 CD2 LEU A 26 6.342 -8.895 1.591 1.00 61.44 C ATOM 0 H LEU A 26 8.495 -6.284 4.415 1.00 53.42 H new ATOM 0 HA LEU A 26 7.130 -4.942 2.299 1.00 23.41 H new ATOM 0 HB2 LEU A 26 7.053 -7.501 3.747 1.00 1.24 H new ATOM 0 HB3 LEU A 26 5.457 -6.932 3.298 1.00 1.24 H new ATOM 0 HG LEU A 26 6.053 -6.879 0.958 1.00 50.05 H new ATOM 0 HD11 LEU A 26 8.268 -7.618 0.171 1.00 13.33 H new ATOM 0 HD12 LEU A 26 8.378 -6.149 1.169 1.00 13.33 H new ATOM 0 HD13 LEU A 26 8.825 -7.728 1.857 1.00 13.33 H new ATOM 0 HD21 LEU A 26 6.488 -9.275 0.580 1.00 61.44 H new ATOM 0 HD22 LEU A 26 6.975 -9.451 2.283 1.00 61.44 H new ATOM 0 HD23 LEU A 26 5.297 -9.017 1.877 1.00 61.44 H new ATOM 395 N GLY A 27 5.872 -4.774 5.332 1.00 14.20 N ATOM 396 CA GLY A 27 4.886 -4.077 6.137 1.00 54.30 C ATOM 397 C GLY A 27 3.734 -4.973 6.547 1.00 11.34 C ATOM 398 O GLY A 27 2.628 -4.496 6.806 1.00 1.23 O ATOM 0 H GLY A 27 6.525 -5.352 5.860 1.00 14.20 H new ATOM 0 HA2 GLY A 27 5.367 -3.678 7.030 1.00 54.30 H new ATOM 0 HA3 GLY A 27 4.499 -3.226 5.576 1.00 54.30 H new ATOM 402 N LEU A 28 3.991 -6.275 6.606 1.00 42.43 N ATOM 403 CA LEU A 28 2.966 -7.241 6.986 1.00 44.20 C ATOM 404 C LEU A 28 3.386 -8.018 8.229 1.00 33.34 C ATOM 405 O LEU A 28 4.572 -8.256 8.453 1.00 1.33 O ATOM 406 CB LEU A 28 2.697 -8.208 5.832 1.00 35.33 C ATOM 407 CG LEU A 28 3.483 -7.955 4.546 1.00 52.43 C ATOM 408 CD1 LEU A 28 3.447 -9.181 3.648 1.00 62.53 C ATOM 409 CD2 LEU A 28 2.931 -6.740 3.814 1.00 12.21 C ATOM 0 H LEU A 28 4.900 -6.686 6.396 1.00 42.43 H new ATOM 0 HA LEU A 28 2.051 -6.694 7.214 1.00 44.20 H new ATOM 0 HB2 LEU A 28 2.915 -9.220 6.174 1.00 35.33 H new ATOM 0 HB3 LEU A 28 1.633 -8.174 5.596 1.00 35.33 H new ATOM 0 HG LEU A 28 4.521 -7.755 4.811 1.00 52.43 H new ATOM 0 HD11 LEU A 28 4.012 -8.982 2.737 1.00 62.53 H new ATOM 0 HD12 LEU A 28 3.890 -10.029 4.171 1.00 62.53 H new ATOM 0 HD13 LEU A 28 2.414 -9.413 3.390 1.00 62.53 H new ATOM 0 HD21 LEU A 28 3.503 -6.575 2.901 1.00 12.21 H new ATOM 0 HD22 LEU A 28 1.885 -6.912 3.561 1.00 12.21 H new ATOM 0 HD23 LEU A 28 3.010 -5.862 4.455 1.00 12.21 H new ATOM 421 N GLU A 29 2.403 -8.414 9.033 1.00 4.43 N ATOM 422 CA GLU A 29 2.672 -9.166 10.253 1.00 15.13 C ATOM 423 C GLU A 29 3.325 -10.507 9.933 1.00 45.10 C ATOM 424 O GLU A 29 3.134 -11.061 8.850 1.00 41.14 O ATOM 425 CB GLU A 29 1.376 -9.392 11.035 1.00 54.31 C ATOM 426 CG GLU A 29 1.505 -9.111 12.523 1.00 63.15 C ATOM 427 CD GLU A 29 0.212 -9.351 13.276 1.00 32.35 C ATOM 428 OE1 GLU A 29 -0.104 -10.528 13.551 1.00 74.01 O ATOM 429 OE2 GLU A 29 -0.484 -8.364 13.592 1.00 51.33 O ATOM 0 H GLU A 29 1.415 -8.227 8.861 1.00 4.43 H new ATOM 0 HA GLU A 29 3.361 -8.583 10.864 1.00 15.13 H new ATOM 0 HB2 GLU A 29 0.595 -8.754 10.620 1.00 54.31 H new ATOM 0 HB3 GLU A 29 1.053 -10.424 10.895 1.00 54.31 H new ATOM 0 HG2 GLU A 29 2.288 -9.743 12.942 1.00 63.15 H new ATOM 0 HG3 GLU A 29 1.819 -8.077 12.668 1.00 63.15 H new ATOM 436 N LEU A 30 4.098 -11.023 10.882 1.00 24.01 N ATOM 437 CA LEU A 30 4.782 -12.299 10.702 1.00 20.13 C ATOM 438 C LEU A 30 3.782 -13.450 10.649 1.00 2.23 C ATOM 439 O LEU A 30 4.060 -14.503 10.075 1.00 25.33 O ATOM 440 CB LEU A 30 5.782 -12.529 11.837 1.00 13.02 C ATOM 441 CG LEU A 30 7.166 -13.028 11.421 1.00 10.15 C ATOM 442 CD1 LEU A 30 7.075 -14.428 10.835 1.00 52.14 C ATOM 443 CD2 LEU A 30 7.801 -12.070 10.424 1.00 11.21 C ATOM 0 H LEU A 30 4.267 -10.578 11.784 1.00 24.01 H new ATOM 0 HA LEU A 30 5.319 -12.265 9.754 1.00 20.13 H new ATOM 0 HB2 LEU A 30 5.904 -11.593 12.382 1.00 13.02 H new ATOM 0 HB3 LEU A 30 5.352 -13.249 12.533 1.00 13.02 H new ATOM 0 HG LEU A 30 7.798 -13.069 12.308 1.00 10.15 H new ATOM 0 HD11 LEU A 30 8.070 -14.766 10.545 1.00 52.14 H new ATOM 0 HD12 LEU A 30 6.664 -15.108 11.581 1.00 52.14 H new ATOM 0 HD13 LEU A 30 6.426 -14.414 9.959 1.00 52.14 H new ATOM 0 HD21 LEU A 30 8.785 -12.441 10.139 1.00 11.21 H new ATOM 0 HD22 LEU A 30 7.171 -11.996 9.538 1.00 11.21 H new ATOM 0 HD23 LEU A 30 7.903 -11.085 10.880 1.00 11.21 H new ATOM 455 N THR A 31 2.615 -13.241 11.250 1.00 12.02 N ATOM 456 CA THR A 31 1.573 -14.260 11.271 1.00 53.43 C ATOM 457 C THR A 31 0.571 -14.045 10.142 1.00 42.52 C ATOM 458 O THR A 31 -0.417 -14.769 10.031 1.00 70.22 O ATOM 459 CB THR A 31 0.820 -14.267 12.615 1.00 43.52 C ATOM 460 OG1 THR A 31 1.658 -13.737 13.648 1.00 2.40 O ATOM 461 CG2 THR A 31 0.383 -15.676 12.983 1.00 73.22 C ATOM 0 H THR A 31 2.368 -12.375 11.729 1.00 12.02 H new ATOM 0 HA THR A 31 2.069 -15.221 11.136 1.00 53.43 H new ATOM 0 HB THR A 31 -0.068 -13.644 12.512 1.00 43.52 H new ATOM 0 HG1 THR A 31 1.172 -13.743 14.499 1.00 2.40 H new ATOM 0 HG21 THR A 31 -0.146 -15.656 13.936 1.00 73.22 H new ATOM 0 HG22 THR A 31 -0.278 -16.066 12.209 1.00 73.22 H new ATOM 0 HG23 THR A 31 1.260 -16.318 13.069 1.00 73.22 H new ATOM 469 N GLU A 32 0.834 -13.045 9.306 1.00 0.41 N ATOM 470 CA GLU A 32 -0.046 -12.735 8.185 1.00 30.34 C ATOM 471 C GLU A 32 0.455 -13.393 6.903 1.00 73.13 C ATOM 472 O GLU A 32 -0.310 -13.604 5.960 1.00 22.13 O ATOM 473 CB GLU A 32 -0.146 -11.221 7.990 1.00 70.05 C ATOM 474 CG GLU A 32 -1.231 -10.569 8.830 1.00 51.12 C ATOM 475 CD GLU A 32 -1.451 -9.112 8.470 1.00 20.34 C ATOM 476 OE1 GLU A 32 -0.715 -8.597 7.603 1.00 73.00 O ATOM 477 OE2 GLU A 32 -2.360 -8.488 9.057 1.00 4.21 O ATOM 0 H GLU A 32 1.649 -12.436 9.384 1.00 0.41 H new ATOM 0 HA GLU A 32 -1.036 -13.130 8.413 1.00 30.34 H new ATOM 0 HB2 GLU A 32 0.814 -10.767 8.236 1.00 70.05 H new ATOM 0 HB3 GLU A 32 -0.337 -11.011 6.938 1.00 70.05 H new ATOM 0 HG2 GLU A 32 -2.164 -11.117 8.700 1.00 51.12 H new ATOM 0 HG3 GLU A 32 -0.963 -10.643 9.884 1.00 51.12 H new ATOM 484 N LEU A 33 1.743 -13.714 6.874 1.00 63.31 N ATOM 485 CA LEU A 33 2.348 -14.348 5.707 1.00 1.22 C ATOM 486 C LEU A 33 1.812 -15.763 5.517 1.00 52.02 C ATOM 487 O LEU A 33 1.561 -16.197 4.392 1.00 30.14 O ATOM 488 CB LEU A 33 3.870 -14.382 5.853 1.00 64.23 C ATOM 489 CG LEU A 33 4.539 -13.058 6.224 1.00 63.21 C ATOM 490 CD1 LEU A 33 5.516 -13.257 7.373 1.00 74.12 C ATOM 491 CD2 LEU A 33 5.248 -12.462 5.016 1.00 0.15 C ATOM 0 H LEU A 33 2.389 -13.546 7.645 1.00 63.31 H new ATOM 0 HA LEU A 33 2.086 -13.759 4.828 1.00 1.22 H new ATOM 0 HB2 LEU A 33 4.126 -15.120 6.613 1.00 64.23 H new ATOM 0 HB3 LEU A 33 4.297 -14.731 4.913 1.00 64.23 H new ATOM 0 HG LEU A 33 3.766 -12.361 6.548 1.00 63.21 H new ATOM 0 HD11 LEU A 33 5.982 -12.304 7.623 1.00 74.12 H new ATOM 0 HD12 LEU A 33 4.982 -13.639 8.243 1.00 74.12 H new ATOM 0 HD13 LEU A 33 6.285 -13.971 7.077 1.00 74.12 H new ATOM 0 HD21 LEU A 33 5.718 -11.520 5.298 1.00 0.15 H new ATOM 0 HD22 LEU A 33 6.010 -13.156 4.662 1.00 0.15 H new ATOM 0 HD23 LEU A 33 4.524 -12.282 4.221 1.00 0.15 H new ATOM 503 N VAL A 34 1.636 -16.478 6.624 1.00 43.23 N ATOM 504 CA VAL A 34 1.126 -17.843 6.579 1.00 3.04 C ATOM 505 C VAL A 34 -0.175 -17.918 5.789 1.00 32.01 C ATOM 506 O VAL A 34 -0.287 -18.638 4.797 1.00 74.22 O ATOM 507 CB VAL A 34 0.887 -18.399 7.996 1.00 50.03 C ATOM 508 CG1 VAL A 34 -0.261 -19.397 7.991 1.00 62.23 C ATOM 509 CG2 VAL A 34 2.157 -19.037 8.539 1.00 53.22 C ATOM 0 H VAL A 34 1.839 -16.134 7.563 1.00 43.23 H new ATOM 0 HA VAL A 34 1.884 -18.448 6.082 1.00 3.04 H new ATOM 0 HB VAL A 34 0.615 -17.572 8.651 1.00 50.03 H new ATOM 0 HG11 VAL A 34 -0.415 -19.779 9.000 1.00 62.23 H new ATOM 0 HG12 VAL A 34 -1.170 -18.904 7.647 1.00 62.23 H new ATOM 0 HG13 VAL A 34 -0.021 -20.224 7.323 1.00 62.23 H new ATOM 0 HG21 VAL A 34 1.970 -19.424 9.541 1.00 53.22 H new ATOM 0 HG22 VAL A 34 2.462 -19.854 7.885 1.00 53.22 H new ATOM 0 HG23 VAL A 34 2.950 -18.290 8.581 1.00 53.22 H new ATOM 519 N PRO A 35 -1.184 -17.156 6.237 1.00 32.32 N ATOM 520 CA PRO A 35 -2.497 -17.118 5.586 1.00 41.13 C ATOM 521 C PRO A 35 -2.450 -16.428 4.227 1.00 43.12 C ATOM 522 O PRO A 35 -3.372 -16.558 3.422 1.00 63.35 O ATOM 523 CB PRO A 35 -3.355 -16.313 6.565 1.00 73.03 C ATOM 524 CG PRO A 35 -2.384 -15.464 7.310 1.00 34.25 C ATOM 525 CD PRO A 35 -1.121 -16.273 7.414 1.00 71.40 C ATOM 0 HA PRO A 35 -2.881 -18.118 5.384 1.00 41.13 H new ATOM 0 HB2 PRO A 35 -4.091 -15.705 6.039 1.00 73.03 H new ATOM 0 HB3 PRO A 35 -3.907 -16.968 7.239 1.00 73.03 H new ATOM 0 HG2 PRO A 35 -2.204 -14.525 6.786 1.00 34.25 H new ATOM 0 HG3 PRO A 35 -2.767 -15.209 8.298 1.00 34.25 H new ATOM 0 HD2 PRO A 35 -0.235 -15.639 7.394 1.00 71.40 H new ATOM 0 HD3 PRO A 35 -1.084 -16.843 8.342 1.00 71.40 H new ATOM 533 N ARG A 36 -1.370 -15.694 3.978 1.00 21.01 N ATOM 534 CA ARG A 36 -1.204 -14.983 2.716 1.00 5.13 C ATOM 535 C ARG A 36 -0.528 -15.872 1.676 1.00 15.00 C ATOM 536 O ARG A 36 -0.199 -15.421 0.578 1.00 31.11 O ATOM 537 CB ARG A 36 -0.380 -13.711 2.928 1.00 64.41 C ATOM 538 CG ARG A 36 -1.224 -12.456 3.077 1.00 61.33 C ATOM 539 CD ARG A 36 -2.394 -12.681 4.022 1.00 5.54 C ATOM 540 NE ARG A 36 -2.655 -11.511 4.856 1.00 11.45 N ATOM 541 CZ ARG A 36 -3.642 -11.446 5.744 1.00 64.43 C ATOM 542 NH1 ARG A 36 -4.455 -12.480 5.912 1.00 40.24 N ATOM 543 NH2 ARG A 36 -3.816 -10.347 6.466 1.00 44.33 N ATOM 0 H ARG A 36 -0.597 -15.576 4.633 1.00 21.01 H new ATOM 0 HA ARG A 36 -2.193 -14.710 2.348 1.00 5.13 H new ATOM 0 HB2 ARG A 36 0.236 -13.832 3.819 1.00 64.41 H new ATOM 0 HB3 ARG A 36 0.299 -13.584 2.085 1.00 64.41 H new ATOM 0 HG2 ARG A 36 -0.604 -11.641 3.451 1.00 61.33 H new ATOM 0 HG3 ARG A 36 -1.598 -12.149 2.100 1.00 61.33 H new ATOM 0 HD2 ARG A 36 -3.286 -12.921 3.444 1.00 5.54 H new ATOM 0 HD3 ARG A 36 -2.186 -13.541 4.658 1.00 5.54 H new ATOM 0 HE ARG A 36 -2.047 -10.699 4.751 1.00 11.45 H new ATOM 0 HH11 ARG A 36 -4.324 -13.327 5.359 1.00 40.24 H new ATOM 0 HH12 ARG A 36 -5.212 -12.428 6.594 1.00 40.24 H new ATOM 0 HH21 ARG A 36 -3.192 -9.550 6.340 1.00 44.33 H new ATOM 0 HH22 ARG A 36 -4.574 -10.299 7.147 1.00 44.33 H new ATOM 557 N LEU A 37 -0.325 -17.136 2.029 1.00 70.42 N ATOM 558 CA LEU A 37 0.311 -18.090 1.126 1.00 3.41 C ATOM 559 C LEU A 37 1.569 -17.493 0.502 1.00 12.24 C ATOM 560 O LEU A 37 1.703 -17.441 -0.720 1.00 44.13 O ATOM 561 CB LEU A 37 -0.666 -18.512 0.027 1.00 4.04 C ATOM 562 CG LEU A 37 -1.582 -19.690 0.360 1.00 24.24 C ATOM 563 CD1 LEU A 37 -2.520 -19.331 1.502 1.00 1.10 C ATOM 564 CD2 LEU A 37 -2.372 -20.115 -0.869 1.00 12.15 C ATOM 0 H LEU A 37 -0.591 -17.525 2.934 1.00 70.42 H new ATOM 0 HA LEU A 37 0.596 -18.967 1.706 1.00 3.41 H new ATOM 0 HB2 LEU A 37 -1.288 -17.654 -0.227 1.00 4.04 H new ATOM 0 HB3 LEU A 37 -0.092 -18.765 -0.864 1.00 4.04 H new ATOM 0 HG LEU A 37 -0.963 -20.529 0.677 1.00 24.24 H new ATOM 0 HD11 LEU A 37 -3.164 -20.182 1.725 1.00 1.10 H new ATOM 0 HD12 LEU A 37 -1.936 -19.077 2.386 1.00 1.10 H new ATOM 0 HD13 LEU A 37 -3.133 -18.477 1.214 1.00 1.10 H new ATOM 0 HD21 LEU A 37 -3.019 -20.955 -0.614 1.00 12.15 H new ATOM 0 HD22 LEU A 37 -2.981 -19.281 -1.217 1.00 12.15 H new ATOM 0 HD23 LEU A 37 -1.683 -20.415 -1.659 1.00 12.15 H new ATOM 576 N PHE A 38 2.489 -17.045 1.351 1.00 74.23 N ATOM 577 CA PHE A 38 3.737 -16.453 0.883 1.00 75.21 C ATOM 578 C PHE A 38 4.478 -17.410 -0.046 1.00 74.14 C ATOM 579 O PHE A 38 4.578 -18.606 0.228 1.00 11.13 O ATOM 580 CB PHE A 38 4.628 -16.085 2.071 1.00 70.32 C ATOM 581 CG PHE A 38 5.377 -14.797 1.882 1.00 60.22 C ATOM 582 CD1 PHE A 38 4.697 -13.595 1.770 1.00 61.12 C ATOM 583 CD2 PHE A 38 6.761 -14.788 1.817 1.00 70.32 C ATOM 584 CE1 PHE A 38 5.384 -12.409 1.595 1.00 10.30 C ATOM 585 CE2 PHE A 38 7.453 -13.605 1.643 1.00 44.24 C ATOM 586 CZ PHE A 38 6.764 -12.413 1.533 1.00 72.34 C ATOM 0 H PHE A 38 2.394 -17.081 2.366 1.00 74.23 H new ATOM 0 HA PHE A 38 3.495 -15.548 0.325 1.00 75.21 H new ATOM 0 HB2 PHE A 38 4.012 -16.010 2.967 1.00 70.32 H new ATOM 0 HB3 PHE A 38 5.343 -16.890 2.242 1.00 70.32 H new ATOM 0 HD1 PHE A 38 3.618 -13.585 1.820 1.00 61.12 H new ATOM 0 HD2 PHE A 38 7.305 -15.717 1.903 1.00 70.32 H new ATOM 0 HE1 PHE A 38 4.842 -11.479 1.507 1.00 10.30 H new ATOM 0 HE2 PHE A 38 8.532 -13.612 1.593 1.00 44.24 H new ATOM 0 HZ PHE A 38 7.303 -11.487 1.399 1.00 72.34 H new ATOM 596 N ARG A 39 4.994 -16.874 -1.148 1.00 24.55 N ATOM 597 CA ARG A 39 5.725 -17.680 -2.119 1.00 34.02 C ATOM 598 C ARG A 39 6.783 -16.844 -2.833 1.00 14.11 C ATOM 599 O ARG A 39 6.528 -15.706 -3.227 1.00 11.45 O ATOM 600 CB ARG A 39 4.760 -18.283 -3.142 1.00 12.15 C ATOM 601 CG ARG A 39 4.288 -19.683 -2.783 1.00 3.43 C ATOM 602 CD ARG A 39 4.085 -20.537 -4.024 1.00 22.31 C ATOM 603 NE ARG A 39 5.342 -21.097 -4.515 1.00 13.13 N ATOM 604 CZ ARG A 39 5.470 -21.689 -5.697 1.00 24.12 C ATOM 605 NH1 ARG A 39 4.425 -21.798 -6.505 1.00 10.31 N ATOM 606 NH2 ARG A 39 6.647 -22.174 -6.073 1.00 1.42 N ATOM 0 H ARG A 39 4.919 -15.886 -1.390 1.00 24.55 H new ATOM 0 HA ARG A 39 6.225 -18.486 -1.582 1.00 34.02 H new ATOM 0 HB2 ARG A 39 3.893 -17.630 -3.239 1.00 12.15 H new ATOM 0 HB3 ARG A 39 5.248 -18.312 -4.116 1.00 12.15 H new ATOM 0 HG2 ARG A 39 5.019 -20.158 -2.129 1.00 3.43 H new ATOM 0 HG3 ARG A 39 3.353 -19.621 -2.225 1.00 3.43 H new ATOM 0 HD2 ARG A 39 3.391 -21.347 -3.797 1.00 22.31 H new ATOM 0 HD3 ARG A 39 3.626 -19.934 -4.808 1.00 22.31 H new ATOM 0 HE ARG A 39 6.166 -21.030 -3.918 1.00 13.13 H new ATOM 0 HH11 ARG A 39 3.519 -21.427 -6.220 1.00 10.31 H new ATOM 0 HH12 ARG A 39 4.527 -22.253 -7.412 1.00 10.31 H new ATOM 0 HH21 ARG A 39 7.454 -22.092 -5.454 1.00 1.42 H new ATOM 0 HH22 ARG A 39 6.745 -22.629 -6.981 1.00 1.42 H new ATOM 620 N VAL A 40 7.971 -17.416 -2.996 1.00 61.51 N ATOM 621 CA VAL A 40 9.068 -16.725 -3.663 1.00 12.21 C ATOM 622 C VAL A 40 9.259 -17.241 -5.085 1.00 4.34 C ATOM 623 O VAL A 40 9.161 -18.441 -5.339 1.00 2.22 O ATOM 624 CB VAL A 40 10.388 -16.888 -2.887 1.00 44.31 C ATOM 625 CG1 VAL A 40 11.525 -16.184 -3.613 1.00 72.34 C ATOM 626 CG2 VAL A 40 10.242 -16.357 -1.469 1.00 73.10 C ATOM 0 H VAL A 40 8.199 -18.357 -2.675 1.00 61.51 H new ATOM 0 HA VAL A 40 8.803 -15.668 -3.696 1.00 12.21 H new ATOM 0 HB VAL A 40 10.626 -17.950 -2.830 1.00 44.31 H new ATOM 0 HG11 VAL A 40 12.450 -16.310 -3.050 1.00 72.34 H new ATOM 0 HG12 VAL A 40 11.644 -16.615 -4.607 1.00 72.34 H new ATOM 0 HG13 VAL A 40 11.297 -15.122 -3.703 1.00 72.34 H new ATOM 0 HG21 VAL A 40 11.184 -16.480 -0.935 1.00 73.10 H new ATOM 0 HG22 VAL A 40 9.979 -15.300 -1.502 1.00 73.10 H new ATOM 0 HG23 VAL A 40 9.458 -16.910 -0.952 1.00 73.10 H new ATOM 636 N ALA A 41 9.534 -16.326 -6.008 1.00 52.54 N ATOM 637 CA ALA A 41 9.742 -16.688 -7.405 1.00 32.02 C ATOM 638 C ALA A 41 10.831 -15.829 -8.039 1.00 15.23 C ATOM 639 O ALA A 41 10.601 -14.667 -8.374 1.00 11.20 O ATOM 640 CB ALA A 41 8.442 -16.555 -8.184 1.00 34.52 C ATOM 0 H ALA A 41 9.618 -15.328 -5.814 1.00 52.54 H new ATOM 0 HA ALA A 41 10.069 -17.727 -7.440 1.00 32.02 H new ATOM 0 HB1 ALA A 41 8.612 -16.828 -9.225 1.00 34.52 H new ATOM 0 HB2 ALA A 41 7.690 -17.217 -7.753 1.00 34.52 H new ATOM 0 HB3 ALA A 41 8.091 -15.524 -8.132 1.00 34.52 H new ATOM 646 N SER A 42 12.016 -16.408 -8.199 1.00 42.54 N ATOM 647 CA SER A 42 13.142 -15.693 -8.789 1.00 41.31 C ATOM 648 C SER A 42 13.147 -15.844 -10.307 1.00 73.22 C ATOM 649 O SER A 42 12.570 -16.786 -10.851 1.00 54.01 O ATOM 650 CB SER A 42 14.461 -16.208 -8.210 1.00 32.52 C ATOM 651 OG SER A 42 15.454 -16.312 -9.216 1.00 33.25 O ATOM 0 H SER A 42 12.222 -17.370 -7.929 1.00 42.54 H new ATOM 0 HA SER A 42 13.035 -14.636 -8.547 1.00 41.31 H new ATOM 0 HB2 SER A 42 14.804 -15.535 -7.424 1.00 32.52 H new ATOM 0 HB3 SER A 42 14.303 -17.183 -7.748 1.00 32.52 H new ATOM 0 HG SER A 42 15.747 -15.415 -9.481 1.00 33.25 H new ATOM 657 N LYS A 43 13.802 -14.909 -10.987 1.00 25.43 N ATOM 658 CA LYS A 43 13.885 -14.937 -12.442 1.00 60.02 C ATOM 659 C LYS A 43 15.177 -15.606 -12.901 1.00 74.22 C ATOM 660 O LYS A 43 15.196 -16.313 -13.909 1.00 22.42 O ATOM 661 CB LYS A 43 13.806 -13.516 -13.005 1.00 63.10 C ATOM 662 CG LYS A 43 12.801 -13.364 -14.133 1.00 14.50 C ATOM 663 CD LYS A 43 12.872 -11.981 -14.760 1.00 72.43 C ATOM 664 CE LYS A 43 11.806 -11.799 -15.830 1.00 34.23 C ATOM 665 NZ LYS A 43 12.400 -11.664 -17.188 1.00 41.43 N ATOM 0 H LYS A 43 14.284 -14.122 -10.553 1.00 25.43 H new ATOM 0 HA LYS A 43 13.043 -15.518 -12.818 1.00 60.02 H new ATOM 0 HB2 LYS A 43 13.543 -12.829 -12.200 1.00 63.10 H new ATOM 0 HB3 LYS A 43 14.792 -13.222 -13.366 1.00 63.10 H new ATOM 0 HG2 LYS A 43 12.991 -14.120 -14.895 1.00 14.50 H new ATOM 0 HG3 LYS A 43 11.795 -13.541 -13.752 1.00 14.50 H new ATOM 0 HD2 LYS A 43 12.746 -11.223 -13.987 1.00 72.43 H new ATOM 0 HD3 LYS A 43 13.858 -11.829 -15.198 1.00 72.43 H new ATOM 0 HE2 LYS A 43 11.126 -12.651 -15.814 1.00 34.23 H new ATOM 0 HE3 LYS A 43 11.212 -10.913 -15.604 1.00 34.23 H new ATOM 0 HZ1 LYS A 43 11.641 -11.542 -17.888 1.00 41.43 H new ATOM 0 HZ2 LYS A 43 13.029 -10.836 -17.211 1.00 41.43 H new ATOM 0 HZ3 LYS A 43 12.946 -12.520 -17.415 1.00 41.43 H new ATOM 679 N ASP A 44 16.252 -15.379 -12.156 1.00 23.44 N ATOM 680 CA ASP A 44 17.548 -15.963 -12.485 1.00 13.22 C ATOM 681 C ASP A 44 17.460 -17.485 -12.539 1.00 42.23 C ATOM 682 O ASP A 44 17.441 -18.077 -13.618 1.00 64.04 O ATOM 683 CB ASP A 44 18.599 -15.536 -11.459 1.00 34.43 C ATOM 684 CG ASP A 44 18.837 -14.039 -11.462 1.00 34.13 C ATOM 685 OD1 ASP A 44 19.425 -13.533 -12.441 1.00 31.44 O ATOM 686 OD2 ASP A 44 18.434 -13.373 -10.486 1.00 11.15 O ATOM 0 H ASP A 44 16.253 -14.795 -11.320 1.00 23.44 H new ATOM 0 HA ASP A 44 17.844 -15.599 -13.469 1.00 13.22 H new ATOM 0 HB2 ASP A 44 18.279 -15.848 -10.465 1.00 34.43 H new ATOM 0 HB3 ASP A 44 19.537 -16.050 -11.668 1.00 34.43 H new ATOM 691 N ARG A 45 17.408 -18.112 -11.369 1.00 1.34 N ATOM 692 CA ARG A 45 17.325 -19.565 -11.283 1.00 41.31 C ATOM 693 C ARG A 45 16.034 -19.996 -10.593 1.00 3.11 C ATOM 694 O ARG A 45 15.614 -21.147 -10.703 1.00 53.35 O ATOM 695 CB ARG A 45 18.532 -20.122 -10.526 1.00 33.04 C ATOM 696 CG ARG A 45 18.677 -21.631 -10.637 1.00 14.04 C ATOM 697 CD ARG A 45 19.861 -22.014 -11.510 1.00 21.22 C ATOM 698 NE ARG A 45 19.803 -21.376 -12.822 1.00 73.22 N ATOM 699 CZ ARG A 45 18.934 -21.718 -13.768 1.00 25.34 C ATOM 700 NH1 ARG A 45 18.056 -22.687 -13.547 1.00 3.31 N ATOM 701 NH2 ARG A 45 18.943 -21.091 -14.937 1.00 4.33 N ATOM 0 H ARG A 45 17.422 -17.636 -10.467 1.00 1.34 H new ATOM 0 HA ARG A 45 17.325 -19.965 -12.297 1.00 41.31 H new ATOM 0 HB2 ARG A 45 19.438 -19.650 -10.906 1.00 33.04 H new ATOM 0 HB3 ARG A 45 18.448 -19.850 -9.474 1.00 33.04 H new ATOM 0 HG2 ARG A 45 18.803 -22.060 -9.643 1.00 14.04 H new ATOM 0 HG3 ARG A 45 17.764 -22.056 -11.054 1.00 14.04 H new ATOM 0 HD2 ARG A 45 20.787 -21.730 -11.010 1.00 21.22 H new ATOM 0 HD3 ARG A 45 19.885 -23.097 -11.634 1.00 21.22 H new ATOM 0 HE ARG A 45 20.465 -20.627 -13.024 1.00 73.22 H new ATOM 0 HH11 ARG A 45 18.046 -23.172 -12.650 1.00 3.31 H new ATOM 0 HH12 ARG A 45 17.390 -22.948 -14.274 1.00 3.31 H new ATOM 0 HH21 ARG A 45 19.617 -20.346 -15.111 1.00 4.33 H new ATOM 0 HH22 ARG A 45 18.276 -21.354 -15.662 1.00 4.33 H new ATOM 715 N GLY A 46 15.410 -19.063 -9.880 1.00 23.14 N ATOM 716 CA GLY A 46 14.175 -19.366 -9.181 1.00 73.15 C ATOM 717 C GLY A 46 14.414 -19.884 -7.777 1.00 62.23 C ATOM 718 O GLY A 46 13.490 -19.950 -6.967 1.00 31.33 O ATOM 0 H GLY A 46 15.738 -18.103 -9.774 1.00 23.14 H new ATOM 0 HA2 GLY A 46 13.559 -18.468 -9.133 1.00 73.15 H new ATOM 0 HA3 GLY A 46 13.613 -20.108 -9.748 1.00 73.15 H new ATOM 722 N ASP A 47 15.657 -20.254 -7.489 1.00 20.11 N ATOM 723 CA ASP A 47 16.015 -20.770 -6.173 1.00 4.12 C ATOM 724 C ASP A 47 17.322 -20.152 -5.684 1.00 61.45 C ATOM 725 O ASP A 47 18.321 -20.850 -5.502 1.00 12.11 O ATOM 726 CB ASP A 47 16.142 -22.294 -6.216 1.00 13.43 C ATOM 727 CG ASP A 47 14.897 -22.962 -6.765 1.00 60.42 C ATOM 728 OD1 ASP A 47 13.816 -22.789 -6.165 1.00 3.55 O ATOM 729 OD2 ASP A 47 15.004 -23.660 -7.795 1.00 72.44 O ATOM 0 H ASP A 47 16.433 -20.206 -8.149 1.00 20.11 H new ATOM 0 HA ASP A 47 15.222 -20.499 -5.476 1.00 4.12 H new ATOM 0 HB2 ASP A 47 16.999 -22.567 -6.831 1.00 13.43 H new ATOM 0 HB3 ASP A 47 16.339 -22.668 -5.211 1.00 13.43 H new ATOM 734 N LEU A 48 17.309 -18.841 -5.476 1.00 13.52 N ATOM 735 CA LEU A 48 18.493 -18.128 -5.009 1.00 41.15 C ATOM 736 C LEU A 48 18.494 -18.010 -3.489 1.00 0.32 C ATOM 737 O LEU A 48 19.517 -18.231 -2.839 1.00 12.53 O ATOM 738 CB LEU A 48 18.556 -16.736 -5.641 1.00 4.14 C ATOM 739 CG LEU A 48 18.428 -16.683 -7.163 1.00 50.14 C ATOM 740 CD1 LEU A 48 17.702 -15.418 -7.594 1.00 42.31 C ATOM 741 CD2 LEU A 48 19.800 -16.762 -7.817 1.00 53.03 C ATOM 0 H LEU A 48 16.491 -18.249 -5.623 1.00 13.52 H new ATOM 0 HA LEU A 48 19.372 -18.697 -5.310 1.00 41.15 H new ATOM 0 HB2 LEU A 48 17.763 -16.126 -5.208 1.00 4.14 H new ATOM 0 HB3 LEU A 48 19.502 -16.274 -5.360 1.00 4.14 H new ATOM 0 HG LEU A 48 17.842 -17.542 -7.489 1.00 50.14 H new ATOM 0 HD11 LEU A 48 17.620 -15.398 -8.681 1.00 42.31 H new ATOM 0 HD12 LEU A 48 16.705 -15.403 -7.155 1.00 42.31 H new ATOM 0 HD13 LEU A 48 18.260 -14.545 -7.256 1.00 42.31 H new ATOM 0 HD21 LEU A 48 19.689 -16.723 -8.901 1.00 53.03 H new ATOM 0 HD22 LEU A 48 20.411 -15.923 -7.484 1.00 53.03 H new ATOM 0 HD23 LEU A 48 20.284 -17.697 -7.535 1.00 53.03 H new ATOM 753 N LEU A 49 17.341 -17.662 -2.927 1.00 25.30 N ATOM 754 CA LEU A 49 17.208 -17.517 -1.482 1.00 31.14 C ATOM 755 C LEU A 49 15.800 -17.886 -1.025 1.00 21.10 C ATOM 756 O LEU A 49 14.913 -18.119 -1.845 1.00 70.21 O ATOM 757 CB LEU A 49 17.533 -16.083 -1.061 1.00 42.21 C ATOM 758 CG LEU A 49 18.888 -15.540 -1.518 1.00 32.20 C ATOM 759 CD1 LEU A 49 18.791 -14.984 -2.930 1.00 2.30 C ATOM 760 CD2 LEU A 49 19.387 -14.473 -0.555 1.00 42.11 C ATOM 0 H LEU A 49 16.486 -17.475 -3.450 1.00 25.30 H new ATOM 0 HA LEU A 49 17.915 -18.198 -1.007 1.00 31.14 H new ATOM 0 HB2 LEU A 49 16.752 -15.427 -1.446 1.00 42.21 H new ATOM 0 HB3 LEU A 49 17.489 -16.026 0.027 1.00 42.21 H new ATOM 0 HG LEU A 49 19.605 -16.361 -1.522 1.00 32.20 H new ATOM 0 HD11 LEU A 49 19.764 -14.602 -3.238 1.00 2.30 H new ATOM 0 HD12 LEU A 49 18.479 -15.775 -3.612 1.00 2.30 H new ATOM 0 HD13 LEU A 49 18.060 -14.176 -2.953 1.00 2.30 H new ATOM 0 HD21 LEU A 49 20.352 -14.098 -0.896 1.00 42.11 H new ATOM 0 HD22 LEU A 49 18.671 -13.652 -0.519 1.00 42.11 H new ATOM 0 HD23 LEU A 49 19.496 -14.904 0.440 1.00 42.11 H new ATOM 772 N GLU A 50 15.603 -17.935 0.289 1.00 43.11 N ATOM 773 CA GLU A 50 14.302 -18.274 0.854 1.00 64.03 C ATOM 774 C GLU A 50 14.080 -17.552 2.179 1.00 12.33 C ATOM 775 O GLU A 50 15.019 -17.327 2.942 1.00 24.34 O ATOM 776 CB GLU A 50 14.189 -19.786 1.059 1.00 62.11 C ATOM 777 CG GLU A 50 13.552 -20.513 -0.113 1.00 70.41 C ATOM 778 CD GLU A 50 12.521 -21.536 0.325 1.00 5.24 C ATOM 779 OE1 GLU A 50 11.503 -21.131 0.924 1.00 73.12 O ATOM 780 OE2 GLU A 50 12.734 -22.740 0.071 1.00 55.44 O ATOM 0 H GLU A 50 16.327 -17.744 0.982 1.00 43.11 H new ATOM 0 HA GLU A 50 13.534 -17.951 0.151 1.00 64.03 H new ATOM 0 HB2 GLU A 50 15.184 -20.196 1.233 1.00 62.11 H new ATOM 0 HB3 GLU A 50 13.603 -19.980 1.958 1.00 62.11 H new ATOM 0 HG2 GLU A 50 13.079 -19.786 -0.773 1.00 70.41 H new ATOM 0 HG3 GLU A 50 14.329 -21.011 -0.692 1.00 70.41 H new ATOM 787 N VAL A 51 12.829 -17.189 2.446 1.00 20.22 N ATOM 788 CA VAL A 51 12.481 -16.493 3.679 1.00 4.21 C ATOM 789 C VAL A 51 12.047 -17.475 4.761 1.00 3.24 C ATOM 790 O VAL A 51 11.300 -18.415 4.497 1.00 72.24 O ATOM 791 CB VAL A 51 11.353 -15.470 3.447 1.00 5.10 C ATOM 792 CG1 VAL A 51 10.188 -16.117 2.714 1.00 1.02 C ATOM 793 CG2 VAL A 51 10.897 -14.872 4.769 1.00 33.02 C ATOM 0 H VAL A 51 12.040 -17.366 1.825 1.00 20.22 H new ATOM 0 HA VAL A 51 13.377 -15.967 4.009 1.00 4.21 H new ATOM 0 HB VAL A 51 11.739 -14.663 2.824 1.00 5.10 H new ATOM 0 HG11 VAL A 51 9.401 -15.379 2.559 1.00 1.02 H new ATOM 0 HG12 VAL A 51 10.529 -16.492 1.749 1.00 1.02 H new ATOM 0 HG13 VAL A 51 9.798 -16.944 3.308 1.00 1.02 H new ATOM 0 HG21 VAL A 51 10.100 -14.151 4.587 1.00 33.02 H new ATOM 0 HG22 VAL A 51 10.527 -15.665 5.419 1.00 33.02 H new ATOM 0 HG23 VAL A 51 11.737 -14.370 5.250 1.00 33.02 H new ATOM 803 N ASN A 52 12.521 -17.249 5.982 1.00 5.03 N ATOM 804 CA ASN A 52 12.182 -18.114 7.106 1.00 21.32 C ATOM 805 C ASN A 52 11.161 -17.443 8.020 1.00 22.53 C ATOM 806 O ASN A 52 11.468 -16.460 8.695 1.00 14.33 O ATOM 807 CB ASN A 52 13.440 -18.469 7.902 1.00 60.04 C ATOM 808 CG ASN A 52 13.148 -19.404 9.059 1.00 15.34 C ATOM 809 OD1 ASN A 52 12.018 -19.862 9.231 1.00 21.43 O ATOM 810 ND2 ASN A 52 14.167 -19.690 9.861 1.00 62.15 N ATOM 0 H ASN A 52 13.141 -16.474 6.218 1.00 5.03 H new ATOM 0 HA ASN A 52 11.742 -19.029 6.708 1.00 21.32 H new ATOM 0 HB2 ASN A 52 14.168 -18.934 7.237 1.00 60.04 H new ATOM 0 HB3 ASN A 52 13.895 -17.555 8.283 1.00 60.04 H new ATOM 0 HD21 ASN A 52 14.030 -20.312 10.658 1.00 62.15 H new ATOM 0 HD22 ASN A 52 15.087 -19.288 9.680 1.00 62.15 H new ATOM 817 N LEU A 53 9.947 -17.982 8.038 1.00 60.25 N ATOM 818 CA LEU A 53 8.880 -17.437 8.869 1.00 11.14 C ATOM 819 C LEU A 53 9.257 -17.495 10.346 1.00 1.12 C ATOM 820 O LEU A 53 8.652 -16.819 11.178 1.00 41.45 O ATOM 821 CB LEU A 53 7.579 -18.206 8.633 1.00 12.21 C ATOM 822 CG LEU A 53 6.805 -17.841 7.366 1.00 74.42 C ATOM 823 CD1 LEU A 53 5.545 -18.686 7.248 1.00 1.34 C ATOM 824 CD2 LEU A 53 6.458 -16.360 7.360 1.00 1.40 C ATOM 0 H LEU A 53 9.677 -18.796 7.486 1.00 60.25 H new ATOM 0 HA LEU A 53 8.734 -16.393 8.591 1.00 11.14 H new ATOM 0 HB2 LEU A 53 7.810 -19.271 8.599 1.00 12.21 H new ATOM 0 HB3 LEU A 53 6.926 -18.049 9.492 1.00 12.21 H new ATOM 0 HG LEU A 53 7.439 -18.048 6.504 1.00 74.42 H new ATOM 0 HD11 LEU A 53 5.007 -18.412 6.340 1.00 1.34 H new ATOM 0 HD12 LEU A 53 5.817 -19.741 7.205 1.00 1.34 H new ATOM 0 HD13 LEU A 53 4.907 -18.511 8.114 1.00 1.34 H new ATOM 0 HD21 LEU A 53 5.907 -16.119 6.451 1.00 1.40 H new ATOM 0 HD22 LEU A 53 5.843 -16.127 8.229 1.00 1.40 H new ATOM 0 HD23 LEU A 53 7.375 -15.771 7.396 1.00 1.40 H new ATOM 836 N GLN A 54 10.261 -18.305 10.664 1.00 64.42 N ATOM 837 CA GLN A 54 10.720 -18.450 12.040 1.00 10.34 C ATOM 838 C GLN A 54 11.002 -17.088 12.666 1.00 54.40 C ATOM 839 O GLN A 54 10.699 -16.857 13.836 1.00 43.11 O ATOM 840 CB GLN A 54 11.978 -19.318 12.093 1.00 61.23 C ATOM 841 CG GLN A 54 12.361 -19.750 13.499 1.00 22.00 C ATOM 842 CD GLN A 54 13.578 -20.653 13.521 1.00 65.31 C ATOM 843 OE1 GLN A 54 14.244 -20.842 12.502 1.00 20.23 O ATOM 844 NE2 GLN A 54 13.877 -21.217 14.686 1.00 73.25 N ATOM 0 H GLN A 54 10.772 -18.871 9.987 1.00 64.42 H new ATOM 0 HA GLN A 54 9.928 -18.936 12.610 1.00 10.34 H new ATOM 0 HB2 GLN A 54 11.823 -20.205 11.479 1.00 61.23 H new ATOM 0 HB3 GLN A 54 12.809 -18.766 11.653 1.00 61.23 H new ATOM 0 HG2 GLN A 54 12.558 -18.866 14.105 1.00 22.00 H new ATOM 0 HG3 GLN A 54 11.519 -20.270 13.957 1.00 22.00 H new ATOM 0 HE21 GLN A 54 13.298 -21.033 15.505 1.00 73.25 H new ATOM 0 HE22 GLN A 54 14.686 -21.834 14.761 1.00 73.25 H new ATOM 853 N ASN A 55 11.583 -16.189 11.878 1.00 12.21 N ATOM 854 CA ASN A 55 11.906 -14.849 12.355 1.00 23.35 C ATOM 855 C ASN A 55 11.707 -13.815 11.251 1.00 23.53 C ATOM 856 O ASN A 55 12.182 -12.685 11.352 1.00 51.10 O ATOM 857 CB ASN A 55 13.349 -14.800 12.861 1.00 24.24 C ATOM 858 CG ASN A 55 13.762 -16.083 13.558 1.00 13.51 C ATOM 859 OD1 ASN A 55 13.200 -16.449 14.590 1.00 21.45 O ATOM 860 ND2 ASN A 55 14.748 -16.771 12.995 1.00 11.11 N ATOM 0 H ASN A 55 11.840 -16.364 10.906 1.00 12.21 H new ATOM 0 HA ASN A 55 11.231 -14.610 13.177 1.00 23.35 H new ATOM 0 HB2 ASN A 55 14.019 -14.614 12.022 1.00 24.24 H new ATOM 0 HB3 ASN A 55 13.461 -13.963 13.550 1.00 24.24 H new ATOM 0 HD21 ASN A 55 15.069 -17.642 13.418 1.00 11.11 H new ATOM 0 HD22 ASN A 55 15.185 -16.429 12.139 1.00 11.11 H new ATOM 867 N GLY A 56 11.001 -14.212 10.197 1.00 71.02 N ATOM 868 CA GLY A 56 10.751 -13.309 9.089 1.00 11.50 C ATOM 869 C GLY A 56 12.029 -12.750 8.497 1.00 45.23 C ATOM 870 O GLY A 56 12.061 -11.608 8.038 1.00 42.41 O ATOM 0 H GLY A 56 10.598 -15.143 10.091 1.00 71.02 H new ATOM 0 HA2 GLY A 56 10.195 -13.836 8.313 1.00 11.50 H new ATOM 0 HA3 GLY A 56 10.122 -12.487 9.429 1.00 11.50 H new ATOM 874 N ILE A 57 13.086 -13.555 8.508 1.00 61.31 N ATOM 875 CA ILE A 57 14.373 -13.134 7.968 1.00 11.12 C ATOM 876 C ILE A 57 14.732 -13.930 6.718 1.00 53.42 C ATOM 877 O ILE A 57 14.278 -15.060 6.537 1.00 62.44 O ATOM 878 CB ILE A 57 15.499 -13.295 9.006 1.00 31.44 C ATOM 879 CG1 ILE A 57 16.715 -12.458 8.606 1.00 2.23 C ATOM 880 CG2 ILE A 57 15.882 -14.761 9.149 1.00 51.12 C ATOM 881 CD1 ILE A 57 16.430 -10.974 8.534 1.00 73.14 C ATOM 0 H ILE A 57 13.077 -14.503 8.885 1.00 61.31 H new ATOM 0 HA ILE A 57 14.276 -12.080 7.709 1.00 11.12 H new ATOM 0 HB ILE A 57 15.138 -12.938 9.970 1.00 31.44 H new ATOM 0 HG12 ILE A 57 17.517 -12.631 9.323 1.00 2.23 H new ATOM 0 HG13 ILE A 57 17.077 -12.798 7.635 1.00 2.23 H new ATOM 0 HG21 ILE A 57 16.679 -14.859 9.886 1.00 51.12 H new ATOM 0 HG22 ILE A 57 15.014 -15.334 9.475 1.00 51.12 H new ATOM 0 HG23 ILE A 57 16.228 -15.142 8.188 1.00 51.12 H new ATOM 0 HD11 ILE A 57 17.337 -10.443 8.245 1.00 73.14 H new ATOM 0 HD12 ILE A 57 15.650 -10.789 7.796 1.00 73.14 H new ATOM 0 HD13 ILE A 57 16.097 -10.620 9.510 1.00 73.14 H new ATOM 893 N LEU A 58 15.550 -13.333 5.858 1.00 10.22 N ATOM 894 CA LEU A 58 15.972 -13.986 4.624 1.00 24.32 C ATOM 895 C LEU A 58 17.310 -14.694 4.813 1.00 3.03 C ATOM 896 O LEU A 58 18.250 -14.128 5.372 1.00 23.32 O ATOM 897 CB LEU A 58 16.079 -12.963 3.493 1.00 45.44 C ATOM 898 CG LEU A 58 14.910 -12.925 2.508 1.00 32.34 C ATOM 899 CD1 LEU A 58 14.975 -14.110 1.557 1.00 41.44 C ATOM 900 CD2 LEU A 58 13.584 -12.912 3.256 1.00 42.33 C ATOM 0 H LEU A 58 15.934 -12.398 5.993 1.00 10.22 H new ATOM 0 HA LEU A 58 15.221 -14.731 4.361 1.00 24.32 H new ATOM 0 HB2 LEU A 58 16.187 -11.973 3.935 1.00 45.44 H new ATOM 0 HB3 LEU A 58 16.993 -13.164 2.934 1.00 45.44 H new ATOM 0 HG LEU A 58 14.983 -12.010 1.921 1.00 32.34 H new ATOM 0 HD11 LEU A 58 14.135 -14.066 0.863 1.00 41.44 H new ATOM 0 HD12 LEU A 58 15.910 -14.077 0.998 1.00 41.44 H new ATOM 0 HD13 LEU A 58 14.926 -15.037 2.128 1.00 41.44 H new ATOM 0 HD21 LEU A 58 12.763 -12.885 2.540 1.00 42.33 H new ATOM 0 HD22 LEU A 58 13.503 -13.810 3.868 1.00 42.33 H new ATOM 0 HD23 LEU A 58 13.536 -12.031 3.896 1.00 42.33 H new ATOM 912 N PHE A 59 17.390 -15.934 4.342 1.00 53.11 N ATOM 913 CA PHE A 59 18.613 -16.719 4.458 1.00 42.02 C ATOM 914 C PHE A 59 19.069 -17.221 3.091 1.00 50.33 C ATOM 915 O PHE A 59 18.255 -17.638 2.267 1.00 71.21 O ATOM 916 CB PHE A 59 18.397 -17.903 5.402 1.00 31.31 C ATOM 917 CG PHE A 59 17.336 -18.858 4.933 1.00 1.34 C ATOM 918 CD1 PHE A 59 16.013 -18.682 5.307 1.00 64.03 C ATOM 919 CD2 PHE A 59 17.662 -19.931 4.120 1.00 73.12 C ATOM 920 CE1 PHE A 59 15.035 -19.558 4.877 1.00 74.32 C ATOM 921 CE2 PHE A 59 16.687 -20.810 3.687 1.00 63.25 C ATOM 922 CZ PHE A 59 15.372 -20.624 4.066 1.00 24.45 C ATOM 0 H PHE A 59 16.622 -16.417 3.876 1.00 53.11 H new ATOM 0 HA PHE A 59 19.391 -16.074 4.867 1.00 42.02 H new ATOM 0 HB2 PHE A 59 19.337 -18.443 5.515 1.00 31.31 H new ATOM 0 HB3 PHE A 59 18.125 -17.526 6.388 1.00 31.31 H new ATOM 0 HD1 PHE A 59 15.744 -17.851 5.942 1.00 64.03 H new ATOM 0 HD2 PHE A 59 18.689 -20.082 3.821 1.00 73.12 H new ATOM 0 HE1 PHE A 59 14.008 -19.409 5.175 1.00 74.32 H new ATOM 0 HE2 PHE A 59 16.954 -21.642 3.052 1.00 63.25 H new ATOM 0 HZ PHE A 59 14.609 -21.310 3.729 1.00 24.45 H new ATOM 932 N VAL A 60 20.377 -17.176 2.856 1.00 13.13 N ATOM 933 CA VAL A 60 20.942 -17.626 1.590 1.00 3.11 C ATOM 934 C VAL A 60 20.531 -19.062 1.284 1.00 41.30 C ATOM 935 O VAL A 60 20.506 -19.913 2.171 1.00 21.42 O ATOM 936 CB VAL A 60 22.480 -17.535 1.598 1.00 12.42 C ATOM 937 CG1 VAL A 60 23.057 -18.126 0.321 1.00 52.30 C ATOM 938 CG2 VAL A 60 22.926 -16.091 1.777 1.00 64.43 C ATOM 0 H VAL A 60 21.065 -16.832 3.526 1.00 13.13 H new ATOM 0 HA VAL A 60 20.550 -16.966 0.816 1.00 3.11 H new ATOM 0 HB VAL A 60 22.857 -18.115 2.440 1.00 12.42 H new ATOM 0 HG11 VAL A 60 24.144 -18.053 0.345 1.00 52.30 H new ATOM 0 HG12 VAL A 60 22.766 -19.173 0.241 1.00 52.30 H new ATOM 0 HG13 VAL A 60 22.675 -17.576 -0.539 1.00 52.30 H new ATOM 0 HG21 VAL A 60 24.015 -16.044 1.780 1.00 64.43 H new ATOM 0 HG22 VAL A 60 22.539 -15.486 0.956 1.00 64.43 H new ATOM 0 HG23 VAL A 60 22.543 -15.707 2.722 1.00 64.43 H new ATOM 948 N ASN A 61 20.209 -19.323 0.021 1.00 4.31 N ATOM 949 CA ASN A 61 19.799 -20.656 -0.403 1.00 71.41 C ATOM 950 C ASN A 61 20.427 -21.018 -1.746 1.00 11.53 C ATOM 951 O ASN A 61 19.926 -21.882 -2.465 1.00 32.15 O ATOM 952 CB ASN A 61 18.274 -20.736 -0.503 1.00 2.23 C ATOM 953 CG ASN A 61 17.772 -22.166 -0.549 1.00 54.25 C ATOM 954 OD1 ASN A 61 17.218 -22.608 -1.556 1.00 70.31 O ATOM 955 ND2 ASN A 61 17.963 -22.896 0.543 1.00 14.01 N ATOM 0 H ASN A 61 20.224 -18.629 -0.726 1.00 4.31 H new ATOM 0 HA ASN A 61 20.146 -21.370 0.344 1.00 71.41 H new ATOM 0 HB2 ASN A 61 17.829 -20.225 0.351 1.00 2.23 H new ATOM 0 HB3 ASN A 61 17.943 -20.209 -1.398 1.00 2.23 H new ATOM 0 HD21 ASN A 61 17.646 -23.865 0.571 1.00 14.01 H new ATOM 0 HD22 ASN A 61 18.427 -22.488 1.355 1.00 14.01 H new ATOM 962 N SER A 62 21.527 -20.350 -2.077 1.00 43.50 N ATOM 963 CA SER A 62 22.223 -20.597 -3.335 1.00 35.44 C ATOM 964 C SER A 62 23.660 -20.092 -3.269 1.00 45.22 C ATOM 965 O SER A 62 24.157 -19.737 -2.200 1.00 42.11 O ATOM 966 CB SER A 62 21.484 -19.922 -4.492 1.00 4.53 C ATOM 967 OG SER A 62 21.937 -20.413 -5.742 1.00 0.45 O ATOM 0 H SER A 62 21.956 -19.633 -1.492 1.00 43.50 H new ATOM 0 HA SER A 62 22.243 -21.673 -3.506 1.00 35.44 H new ATOM 0 HB2 SER A 62 20.413 -20.098 -4.395 1.00 4.53 H new ATOM 0 HB3 SER A 62 21.636 -18.844 -4.445 1.00 4.53 H new ATOM 0 HG SER A 62 21.448 -19.967 -6.465 1.00 0.45 H new ATOM 973 N ARG A 63 24.324 -20.062 -4.421 1.00 34.14 N ATOM 974 CA ARG A 63 25.705 -19.602 -4.495 1.00 52.51 C ATOM 975 C ARG A 63 25.773 -18.078 -4.452 1.00 52.33 C ATOM 976 O ARG A 63 25.228 -17.398 -5.323 1.00 3.34 O ATOM 977 CB ARG A 63 26.368 -20.117 -5.774 1.00 2.52 C ATOM 978 CG ARG A 63 26.076 -21.579 -6.065 1.00 75.31 C ATOM 979 CD ARG A 63 25.096 -21.732 -7.219 1.00 25.54 C ATOM 980 NE ARG A 63 24.051 -22.709 -6.923 1.00 41.52 N ATOM 981 CZ ARG A 63 22.973 -22.883 -7.680 1.00 44.01 C ATOM 982 NH1 ARG A 63 22.801 -22.151 -8.772 1.00 74.00 N ATOM 983 NH2 ARG A 63 22.066 -23.792 -7.345 1.00 41.55 N ATOM 0 H ARG A 63 23.927 -20.351 -5.315 1.00 34.14 H new ATOM 0 HA ARG A 63 26.241 -19.997 -3.632 1.00 52.51 H new ATOM 0 HB2 ARG A 63 26.031 -19.513 -6.616 1.00 2.52 H new ATOM 0 HB3 ARG A 63 27.446 -19.979 -5.695 1.00 2.52 H new ATOM 0 HG2 ARG A 63 27.005 -22.096 -6.304 1.00 75.31 H new ATOM 0 HG3 ARG A 63 25.667 -22.054 -5.173 1.00 75.31 H new ATOM 0 HD2 ARG A 63 24.639 -20.767 -7.437 1.00 25.54 H new ATOM 0 HD3 ARG A 63 25.636 -22.039 -8.115 1.00 25.54 H new ATOM 0 HE ARG A 63 24.155 -23.289 -6.090 1.00 41.52 H new ATOM 0 HH11 ARG A 63 23.497 -21.452 -9.033 1.00 74.00 H new ATOM 0 HH12 ARG A 63 21.973 -22.286 -9.352 1.00 74.00 H new ATOM 0 HH21 ARG A 63 22.196 -24.357 -6.506 1.00 41.55 H new ATOM 0 HH22 ARG A 63 21.239 -23.925 -7.926 1.00 41.55 H new ATOM 997 N ILE A 64 26.444 -17.549 -3.435 1.00 32.14 N ATOM 998 CA ILE A 64 26.583 -16.106 -3.279 1.00 62.52 C ATOM 999 C ILE A 64 28.009 -15.656 -3.580 1.00 73.33 C ATOM 1000 O ILE A 64 28.259 -14.476 -3.827 1.00 72.44 O ATOM 1001 CB ILE A 64 26.204 -15.654 -1.857 1.00 33.33 C ATOM 1002 CG1 ILE A 64 24.807 -16.162 -1.492 1.00 63.50 C ATOM 1003 CG2 ILE A 64 26.266 -14.138 -1.749 1.00 24.04 C ATOM 1004 CD1 ILE A 64 23.729 -15.707 -2.450 1.00 62.35 C ATOM 0 H ILE A 64 26.900 -18.098 -2.706 1.00 32.14 H new ATOM 0 HA ILE A 64 25.900 -15.644 -3.992 1.00 62.52 H new ATOM 0 HB ILE A 64 26.920 -16.079 -1.154 1.00 33.33 H new ATOM 0 HG12 ILE A 64 24.821 -17.252 -1.465 1.00 63.50 H new ATOM 0 HG13 ILE A 64 24.556 -15.821 -0.487 1.00 63.50 H new ATOM 0 HG21 ILE A 64 25.995 -13.834 -0.738 1.00 24.04 H new ATOM 0 HG22 ILE A 64 27.278 -13.798 -1.972 1.00 24.04 H new ATOM 0 HG23 ILE A 64 25.569 -13.694 -2.460 1.00 24.04 H new ATOM 0 HD11 ILE A 64 22.766 -16.104 -2.129 1.00 62.35 H new ATOM 0 HD12 ILE A 64 23.687 -14.618 -2.460 1.00 62.35 H new ATOM 0 HD13 ILE A 64 23.956 -16.070 -3.452 1.00 62.35 H new ATOM 1016 N ASP A 65 28.939 -16.604 -3.560 1.00 22.15 N ATOM 1017 CA ASP A 65 30.340 -16.306 -3.833 1.00 63.14 C ATOM 1018 C ASP A 65 30.486 -15.537 -5.143 1.00 64.50 C ATOM 1019 O ASP A 65 29.824 -15.847 -6.133 1.00 71.43 O ATOM 1020 CB ASP A 65 31.157 -17.598 -3.892 1.00 75.22 C ATOM 1021 CG ASP A 65 30.887 -18.508 -2.709 1.00 42.54 C ATOM 1022 OD1 ASP A 65 29.785 -19.092 -2.649 1.00 12.34 O ATOM 1023 OD2 ASP A 65 31.779 -18.636 -1.845 1.00 50.30 O ATOM 0 H ASP A 65 28.748 -17.585 -3.358 1.00 22.15 H new ATOM 0 HA ASP A 65 30.718 -15.683 -3.022 1.00 63.14 H new ATOM 0 HB2 ASP A 65 30.926 -18.129 -4.815 1.00 75.22 H new ATOM 0 HB3 ASP A 65 32.218 -17.352 -3.923 1.00 75.22 H new ATOM 1028 N ARG A 66 31.357 -14.533 -5.140 1.00 21.41 N ATOM 1029 CA ARG A 66 31.588 -13.719 -6.327 1.00 3.02 C ATOM 1030 C ARG A 66 31.734 -14.595 -7.567 1.00 62.24 C ATOM 1031 O ARG A 66 31.126 -14.327 -8.603 1.00 11.11 O ATOM 1032 CB ARG A 66 32.841 -12.860 -6.146 1.00 22.12 C ATOM 1033 CG ARG A 66 34.067 -13.653 -5.722 1.00 40.42 C ATOM 1034 CD ARG A 66 35.199 -12.736 -5.285 1.00 30.35 C ATOM 1035 NE ARG A 66 36.304 -12.737 -6.240 1.00 12.34 N ATOM 1036 CZ ARG A 66 37.218 -13.698 -6.305 1.00 42.02 C ATOM 1037 NH1 ARG A 66 37.160 -14.731 -5.476 1.00 54.02 N ATOM 1038 NH2 ARG A 66 38.194 -13.627 -7.202 1.00 73.40 N ATOM 0 H ARG A 66 31.914 -14.264 -4.329 1.00 21.41 H new ATOM 0 HA ARG A 66 30.725 -13.067 -6.463 1.00 3.02 H new ATOM 0 HB2 ARG A 66 33.057 -12.346 -7.083 1.00 22.12 H new ATOM 0 HB3 ARG A 66 32.640 -12.092 -5.400 1.00 22.12 H new ATOM 0 HG2 ARG A 66 33.803 -14.323 -4.904 1.00 40.42 H new ATOM 0 HG3 ARG A 66 34.402 -14.278 -6.550 1.00 40.42 H new ATOM 0 HD2 ARG A 66 34.819 -11.721 -5.171 1.00 30.35 H new ATOM 0 HD3 ARG A 66 35.564 -13.051 -4.308 1.00 30.35 H new ATOM 0 HE ARG A 66 36.378 -11.957 -6.893 1.00 12.34 H new ATOM 0 HH11 ARG A 66 36.412 -14.789 -4.785 1.00 54.02 H new ATOM 0 HH12 ARG A 66 37.864 -15.467 -5.529 1.00 54.02 H new ATOM 0 HH21 ARG A 66 38.242 -12.834 -7.842 1.00 73.40 H new ATOM 0 HH22 ARG A 66 38.896 -14.365 -7.252 1.00 73.40 H new ATOM 1052 N GLU A 67 32.545 -15.643 -7.454 1.00 50.40 N ATOM 1053 CA GLU A 67 32.771 -16.557 -8.567 1.00 42.23 C ATOM 1054 C GLU A 67 31.448 -16.997 -9.187 1.00 61.31 C ATOM 1055 O GLU A 67 31.305 -17.033 -10.409 1.00 2.23 O ATOM 1056 CB GLU A 67 33.560 -17.781 -8.099 1.00 22.23 C ATOM 1057 CG GLU A 67 32.940 -18.483 -6.902 1.00 61.44 C ATOM 1058 CD GLU A 67 33.860 -19.525 -6.296 1.00 60.43 C ATOM 1059 OE1 GLU A 67 35.029 -19.607 -6.726 1.00 64.43 O ATOM 1060 OE2 GLU A 67 33.410 -20.259 -5.391 1.00 53.13 O ATOM 0 H GLU A 67 33.056 -15.879 -6.603 1.00 50.40 H new ATOM 0 HA GLU A 67 33.350 -16.029 -9.325 1.00 42.23 H new ATOM 0 HB2 GLU A 67 33.639 -18.489 -8.924 1.00 22.23 H new ATOM 0 HB3 GLU A 67 34.574 -17.474 -7.844 1.00 22.23 H new ATOM 0 HG2 GLU A 67 32.686 -17.743 -6.143 1.00 61.44 H new ATOM 0 HG3 GLU A 67 32.009 -18.960 -7.207 1.00 61.44 H new ATOM 1067 N GLU A 68 30.485 -17.332 -8.335 1.00 34.53 N ATOM 1068 CA GLU A 68 29.174 -17.772 -8.799 1.00 20.23 C ATOM 1069 C GLU A 68 28.286 -16.577 -9.133 1.00 20.11 C ATOM 1070 O GLU A 68 27.779 -16.458 -10.249 1.00 64.44 O ATOM 1071 CB GLU A 68 28.498 -18.643 -7.737 1.00 42.33 C ATOM 1072 CG GLU A 68 28.860 -20.115 -7.837 1.00 24.03 C ATOM 1073 CD GLU A 68 29.840 -20.549 -6.763 1.00 52.43 C ATOM 1074 OE1 GLU A 68 29.734 -20.046 -5.625 1.00 63.21 O ATOM 1075 OE2 GLU A 68 30.712 -21.391 -7.062 1.00 71.23 O ATOM 0 H GLU A 68 30.587 -17.307 -7.320 1.00 34.53 H new ATOM 0 HA GLU A 68 29.317 -18.361 -9.705 1.00 20.23 H new ATOM 0 HB2 GLU A 68 28.774 -18.276 -6.749 1.00 42.33 H new ATOM 0 HB3 GLU A 68 27.417 -18.536 -7.826 1.00 42.33 H new ATOM 0 HG2 GLU A 68 27.953 -20.714 -7.760 1.00 24.03 H new ATOM 0 HG3 GLU A 68 29.291 -20.314 -8.818 1.00 24.03 H new ATOM 1082 N LEU A 69 28.101 -15.694 -8.158 1.00 22.13 N ATOM 1083 CA LEU A 69 27.274 -14.508 -8.347 1.00 11.53 C ATOM 1084 C LEU A 69 27.607 -13.816 -9.665 1.00 14.01 C ATOM 1085 O LEU A 69 26.835 -13.876 -10.622 1.00 75.33 O ATOM 1086 CB LEU A 69 27.470 -13.534 -7.183 1.00 64.12 C ATOM 1087 CG LEU A 69 26.194 -13.014 -6.520 1.00 63.13 C ATOM 1088 CD1 LEU A 69 25.414 -12.132 -7.483 1.00 3.24 C ATOM 1089 CD2 LEU A 69 25.333 -14.173 -6.039 1.00 2.32 C ATOM 0 H LEU A 69 28.513 -15.777 -7.228 1.00 22.13 H new ATOM 0 HA LEU A 69 26.231 -14.824 -8.377 1.00 11.53 H new ATOM 0 HB2 LEU A 69 28.076 -14.026 -6.422 1.00 64.12 H new ATOM 0 HB3 LEU A 69 28.042 -12.679 -7.543 1.00 64.12 H new ATOM 0 HG LEU A 69 26.475 -12.413 -5.655 1.00 63.13 H new ATOM 0 HD11 LEU A 69 24.509 -11.771 -6.994 1.00 3.24 H new ATOM 0 HD12 LEU A 69 26.030 -11.283 -7.779 1.00 3.24 H new ATOM 0 HD13 LEU A 69 25.143 -12.709 -8.367 1.00 3.24 H new ATOM 0 HD21 LEU A 69 24.429 -13.785 -5.570 1.00 2.32 H new ATOM 0 HD22 LEU A 69 25.060 -14.800 -6.888 1.00 2.32 H new ATOM 0 HD23 LEU A 69 25.892 -14.765 -5.315 1.00 2.32 H new ATOM 1101 N CYS A 70 28.762 -13.161 -9.708 1.00 52.22 N ATOM 1102 CA CYS A 70 29.199 -12.459 -10.909 1.00 11.11 C ATOM 1103 C CYS A 70 30.717 -12.521 -11.053 1.00 52.00 C ATOM 1104 O CYS A 70 31.236 -12.957 -12.079 1.00 42.05 O ATOM 1105 CB CYS A 70 28.739 -11.000 -10.868 1.00 73.45 C ATOM 1106 SG CYS A 70 26.932 -10.794 -10.755 1.00 3.41 S ATOM 0 H CYS A 70 29.413 -13.102 -8.925 1.00 52.22 H new ATOM 0 HA CYS A 70 28.749 -12.951 -11.771 1.00 11.11 H new ATOM 0 HB2 CYS A 70 29.204 -10.507 -10.014 1.00 73.45 H new ATOM 0 HB3 CYS A 70 29.097 -10.492 -11.764 1.00 73.45 H new ATOM 1111 N GLY A 71 31.423 -12.081 -10.016 1.00 31.24 N ATOM 1112 CA GLY A 71 32.874 -12.095 -10.046 1.00 73.23 C ATOM 1113 C GLY A 71 33.458 -10.760 -10.464 1.00 73.31 C ATOM 1114 O GLY A 71 33.696 -9.890 -9.627 1.00 20.15 O ATOM 0 H GLY A 71 31.016 -11.715 -9.155 1.00 31.24 H new ATOM 0 HA2 GLY A 71 33.252 -12.360 -9.059 1.00 73.23 H new ATOM 0 HA3 GLY A 71 33.213 -12.868 -10.736 1.00 73.23 H new ATOM 1118 N ARG A 72 33.690 -10.598 -11.762 1.00 65.45 N ATOM 1119 CA ARG A 72 34.253 -9.361 -12.289 1.00 42.13 C ATOM 1120 C ARG A 72 33.195 -8.263 -12.344 1.00 4.41 C ATOM 1121 O ARG A 72 32.807 -7.814 -13.422 1.00 45.45 O ATOM 1122 CB ARG A 72 34.835 -9.594 -13.685 1.00 13.30 C ATOM 1123 CG ARG A 72 36.241 -10.170 -13.671 1.00 2.54 C ATOM 1124 CD ARG A 72 36.659 -10.653 -15.050 1.00 63.43 C ATOM 1125 NE ARG A 72 37.899 -10.025 -15.498 1.00 63.11 N ATOM 1126 CZ ARG A 72 39.104 -10.392 -15.075 1.00 73.41 C ATOM 1127 NH1 ARG A 72 39.230 -11.379 -14.199 1.00 33.33 N ATOM 1128 NH2 ARG A 72 40.185 -9.772 -15.529 1.00 64.31 N ATOM 0 H ARG A 72 33.497 -11.308 -12.468 1.00 65.45 H new ATOM 0 HA ARG A 72 35.051 -9.040 -11.619 1.00 42.13 H new ATOM 0 HB2 ARG A 72 34.180 -10.270 -14.234 1.00 13.30 H new ATOM 0 HB3 ARG A 72 34.844 -8.649 -14.228 1.00 13.30 H new ATOM 0 HG2 ARG A 72 36.942 -9.412 -13.322 1.00 2.54 H new ATOM 0 HG3 ARG A 72 36.289 -10.998 -12.964 1.00 2.54 H new ATOM 0 HD2 ARG A 72 36.787 -11.735 -15.031 1.00 63.43 H new ATOM 0 HD3 ARG A 72 35.865 -10.438 -15.765 1.00 63.43 H new ATOM 0 HE ARG A 72 37.837 -9.263 -16.173 1.00 63.11 H new ATOM 0 HH11 ARG A 72 38.401 -11.859 -13.848 1.00 33.33 H new ATOM 0 HH12 ARG A 72 40.156 -11.659 -13.876 1.00 33.33 H new ATOM 0 HH21 ARG A 72 40.092 -9.013 -16.204 1.00 64.31 H new ATOM 0 HH22 ARG A 72 41.109 -10.055 -15.204 1.00 64.31 H new ATOM 1142 N SER A 73 32.733 -7.835 -11.174 1.00 34.15 N ATOM 1143 CA SER A 73 31.717 -6.793 -11.088 1.00 15.40 C ATOM 1144 C SER A 73 31.773 -6.089 -9.735 1.00 52.15 C ATOM 1145 O SER A 73 31.393 -6.657 -8.712 1.00 12.51 O ATOM 1146 CB SER A 73 30.325 -7.388 -11.308 1.00 73.32 C ATOM 1147 OG SER A 73 29.752 -6.913 -12.514 1.00 35.21 O ATOM 0 H SER A 73 33.046 -8.194 -10.272 1.00 34.15 H new ATOM 0 HA SER A 73 31.918 -6.059 -11.869 1.00 15.40 H new ATOM 0 HB2 SER A 73 30.391 -8.476 -11.337 1.00 73.32 H new ATOM 0 HB3 SER A 73 29.679 -7.130 -10.469 1.00 73.32 H new ATOM 0 HG SER A 73 28.864 -7.309 -12.632 1.00 35.21 H new ATOM 1153 N ALA A 74 32.250 -4.849 -9.740 1.00 41.54 N ATOM 1154 CA ALA A 74 32.355 -4.065 -8.515 1.00 73.45 C ATOM 1155 C ALA A 74 31.032 -4.053 -7.757 1.00 54.45 C ATOM 1156 O ALA A 74 31.010 -3.960 -6.531 1.00 1.23 O ATOM 1157 CB ALA A 74 32.797 -2.645 -8.833 1.00 52.35 C ATOM 0 H ALA A 74 32.570 -4.365 -10.579 1.00 41.54 H new ATOM 0 HA ALA A 74 33.105 -4.532 -7.877 1.00 73.45 H new ATOM 0 HB1 ALA A 74 32.871 -2.071 -7.909 1.00 52.35 H new ATOM 0 HB2 ALA A 74 33.770 -2.668 -9.325 1.00 52.35 H new ATOM 0 HB3 ALA A 74 32.068 -2.176 -9.494 1.00 52.35 H new ATOM 1163 N GLU A 75 29.930 -4.145 -8.496 1.00 64.55 N ATOM 1164 CA GLU A 75 28.603 -4.143 -7.892 1.00 43.33 C ATOM 1165 C GLU A 75 27.594 -4.847 -8.794 1.00 55.10 C ATOM 1166 O GLU A 75 27.340 -4.414 -9.918 1.00 51.54 O ATOM 1167 CB GLU A 75 28.146 -2.708 -7.619 1.00 21.31 C ATOM 1168 CG GLU A 75 28.370 -1.765 -8.789 1.00 12.23 C ATOM 1169 CD GLU A 75 27.186 -0.849 -9.034 1.00 62.24 C ATOM 1170 OE1 GLU A 75 26.125 -1.354 -9.457 1.00 53.53 O ATOM 1171 OE2 GLU A 75 27.321 0.371 -8.804 1.00 61.43 O ATOM 0 H GLU A 75 29.931 -4.222 -9.513 1.00 64.55 H new ATOM 0 HA GLU A 75 28.660 -4.685 -6.948 1.00 43.33 H new ATOM 0 HB2 GLU A 75 27.086 -2.715 -7.367 1.00 21.31 H new ATOM 0 HB3 GLU A 75 28.678 -2.326 -6.748 1.00 21.31 H new ATOM 0 HG2 GLU A 75 29.258 -1.162 -8.600 1.00 12.23 H new ATOM 0 HG3 GLU A 75 28.566 -2.348 -9.689 1.00 12.23 H new ATOM 1178 N CYS A 76 27.020 -5.936 -8.293 1.00 25.01 N ATOM 1179 CA CYS A 76 26.039 -6.702 -9.051 1.00 63.45 C ATOM 1180 C CYS A 76 24.654 -6.585 -8.423 1.00 74.10 C ATOM 1181 O CYS A 76 24.492 -6.756 -7.215 1.00 21.32 O ATOM 1182 CB CYS A 76 26.455 -8.173 -9.124 1.00 44.25 C ATOM 1183 SG CYS A 76 26.538 -8.839 -10.818 1.00 33.10 S ATOM 0 H CYS A 76 27.218 -6.308 -7.364 1.00 25.01 H new ATOM 0 HA CYS A 76 25.997 -6.292 -10.060 1.00 63.45 H new ATOM 0 HB2 CYS A 76 27.431 -8.287 -8.652 1.00 44.25 H new ATOM 0 HB3 CYS A 76 25.749 -8.768 -8.545 1.00 44.25 H new ATOM 1188 N SER A 77 23.657 -6.292 -9.252 1.00 72.31 N ATOM 1189 CA SER A 77 22.285 -6.149 -8.778 1.00 4.51 C ATOM 1190 C SER A 77 21.450 -7.368 -9.155 1.00 15.11 C ATOM 1191 O SER A 77 21.614 -7.937 -10.234 1.00 65.23 O ATOM 1192 CB SER A 77 21.652 -4.883 -9.359 1.00 44.30 C ATOM 1193 OG SER A 77 22.620 -3.862 -9.532 1.00 10.22 O ATOM 0 H SER A 77 23.774 -6.149 -10.255 1.00 72.31 H new ATOM 0 HA SER A 77 22.309 -6.069 -7.691 1.00 4.51 H new ATOM 0 HB2 SER A 77 21.186 -5.113 -10.317 1.00 44.30 H new ATOM 0 HB3 SER A 77 20.862 -4.531 -8.696 1.00 44.30 H new ATOM 0 HG SER A 77 22.191 -3.064 -9.906 1.00 10.22 H new ATOM 1199 N ILE A 78 20.553 -7.763 -8.258 1.00 14.23 N ATOM 1200 CA ILE A 78 19.690 -8.913 -8.496 1.00 20.41 C ATOM 1201 C ILE A 78 18.221 -8.544 -8.325 1.00 14.45 C ATOM 1202 O ILE A 78 17.859 -7.798 -7.414 1.00 11.31 O ATOM 1203 CB ILE A 78 20.029 -10.077 -7.546 1.00 20.30 C ATOM 1204 CG1 ILE A 78 21.488 -10.501 -7.724 1.00 5.12 C ATOM 1205 CG2 ILE A 78 19.096 -11.253 -7.795 1.00 64.12 C ATOM 1206 CD1 ILE A 78 22.392 -10.044 -6.600 1.00 34.04 C ATOM 0 H ILE A 78 20.405 -7.303 -7.360 1.00 14.23 H new ATOM 0 HA ILE A 78 19.865 -9.230 -9.524 1.00 20.41 H new ATOM 0 HB ILE A 78 19.891 -9.740 -6.519 1.00 20.30 H new ATOM 0 HG12 ILE A 78 21.536 -11.587 -7.799 1.00 5.12 H new ATOM 0 HG13 ILE A 78 21.862 -10.100 -8.666 1.00 5.12 H new ATOM 0 HG21 ILE A 78 19.348 -12.068 -7.116 1.00 64.12 H new ATOM 0 HG22 ILE A 78 18.065 -10.943 -7.623 1.00 64.12 H new ATOM 0 HG23 ILE A 78 19.205 -11.592 -8.825 1.00 64.12 H new ATOM 0 HD11 ILE A 78 23.411 -10.380 -6.793 1.00 34.04 H new ATOM 0 HD12 ILE A 78 22.374 -8.956 -6.538 1.00 34.04 H new ATOM 0 HD13 ILE A 78 22.043 -10.466 -5.658 1.00 34.04 H new ATOM 1218 N HIS A 79 17.377 -9.072 -9.205 1.00 55.22 N ATOM 1219 CA HIS A 79 15.945 -8.799 -9.150 1.00 73.33 C ATOM 1220 C HIS A 79 15.162 -10.068 -8.827 1.00 21.34 C ATOM 1221 O HIS A 79 15.498 -11.155 -9.300 1.00 31.05 O ATOM 1222 CB HIS A 79 15.464 -8.215 -10.479 1.00 0.32 C ATOM 1223 CG HIS A 79 16.347 -7.128 -11.010 1.00 4.15 C ATOM 1224 ND1 HIS A 79 17.414 -7.368 -11.850 1.00 22.04 N ATOM 1225 CD2 HIS A 79 16.316 -5.788 -10.817 1.00 25.54 C ATOM 1226 CE1 HIS A 79 18.002 -6.224 -12.149 1.00 4.41 C ATOM 1227 NE2 HIS A 79 17.355 -5.249 -11.535 1.00 62.50 N ATOM 0 H HIS A 79 17.659 -9.691 -9.965 1.00 55.22 H new ATOM 0 HA HIS A 79 15.769 -8.072 -8.357 1.00 73.33 H new ATOM 0 HB2 HIS A 79 15.403 -9.015 -11.217 1.00 0.32 H new ATOM 0 HB3 HIS A 79 14.455 -7.822 -10.350 1.00 0.32 H new ATOM 0 HD2 HIS A 79 15.606 -5.244 -10.211 1.00 25.54 H new ATOM 0 HE1 HIS A 79 18.865 -6.105 -12.787 1.00 4.41 H new ATOM 0 HE2 HIS A 79 17.589 -4.258 -11.586 1.00 62.50 H new ATOM 1235 N LEU A 80 14.118 -9.924 -8.018 1.00 4.34 N ATOM 1236 CA LEU A 80 13.288 -11.059 -7.630 1.00 11.42 C ATOM 1237 C LEU A 80 11.828 -10.642 -7.488 1.00 55.52 C ATOM 1238 O LEU A 80 11.527 -9.472 -7.252 1.00 52.01 O ATOM 1239 CB LEU A 80 13.789 -11.657 -6.314 1.00 42.31 C ATOM 1240 CG LEU A 80 12.978 -12.826 -5.756 1.00 73.42 C ATOM 1241 CD1 LEU A 80 13.879 -13.788 -4.998 1.00 63.10 C ATOM 1242 CD2 LEU A 80 11.860 -12.319 -4.857 1.00 32.11 C ATOM 0 H LEU A 80 13.826 -9.032 -7.618 1.00 4.34 H new ATOM 0 HA LEU A 80 13.357 -11.813 -8.414 1.00 11.42 H new ATOM 0 HB2 LEU A 80 14.817 -11.990 -6.458 1.00 42.31 H new ATOM 0 HB3 LEU A 80 13.812 -10.866 -5.564 1.00 42.31 H new ATOM 0 HG LEU A 80 12.530 -13.363 -6.592 1.00 73.42 H new ATOM 0 HD11 LEU A 80 13.284 -14.614 -4.608 1.00 63.10 H new ATOM 0 HD12 LEU A 80 14.643 -14.178 -5.671 1.00 63.10 H new ATOM 0 HD13 LEU A 80 14.357 -13.263 -4.171 1.00 63.10 H new ATOM 0 HD21 LEU A 80 11.293 -13.165 -4.469 1.00 32.11 H new ATOM 0 HD22 LEU A 80 12.287 -11.757 -4.027 1.00 32.11 H new ATOM 0 HD23 LEU A 80 11.197 -11.671 -5.431 1.00 32.11 H new ATOM 1254 N GLU A 81 10.925 -11.607 -7.632 1.00 50.11 N ATOM 1255 CA GLU A 81 9.496 -11.339 -7.519 1.00 1.04 C ATOM 1256 C GLU A 81 8.836 -12.311 -6.545 1.00 70.10 C ATOM 1257 O GLU A 81 8.746 -13.510 -6.812 1.00 4.41 O ATOM 1258 CB GLU A 81 8.825 -11.439 -8.890 1.00 63.21 C ATOM 1259 CG GLU A 81 9.246 -10.343 -9.855 1.00 33.31 C ATOM 1260 CD GLU A 81 9.863 -10.891 -11.127 1.00 21.21 C ATOM 1261 OE1 GLU A 81 10.879 -11.611 -11.032 1.00 31.02 O ATOM 1262 OE2 GLU A 81 9.329 -10.600 -12.218 1.00 5.31 O ATOM 0 H GLU A 81 11.158 -12.581 -7.827 1.00 50.11 H new ATOM 0 HA GLU A 81 9.372 -10.326 -7.135 1.00 1.04 H new ATOM 0 HB2 GLU A 81 9.059 -12.408 -9.330 1.00 63.21 H new ATOM 0 HB3 GLU A 81 7.744 -11.401 -8.760 1.00 63.21 H new ATOM 0 HG2 GLU A 81 8.378 -9.735 -10.109 1.00 33.31 H new ATOM 0 HG3 GLU A 81 9.962 -9.686 -9.362 1.00 33.31 H new ATOM 1269 N VAL A 82 8.375 -11.786 -5.414 1.00 45.31 N ATOM 1270 CA VAL A 82 7.723 -12.606 -4.400 1.00 50.53 C ATOM 1271 C VAL A 82 6.215 -12.656 -4.621 1.00 44.00 C ATOM 1272 O VAL A 82 5.509 -11.679 -4.373 1.00 53.52 O ATOM 1273 CB VAL A 82 8.006 -12.075 -2.982 1.00 53.02 C ATOM 1274 CG1 VAL A 82 7.628 -13.115 -1.938 1.00 4.51 C ATOM 1275 CG2 VAL A 82 9.467 -11.675 -2.845 1.00 30.22 C ATOM 0 H VAL A 82 8.441 -10.796 -5.177 1.00 45.31 H new ATOM 0 HA VAL A 82 8.135 -13.611 -4.492 1.00 50.53 H new ATOM 0 HB VAL A 82 7.394 -11.189 -2.815 1.00 53.02 H new ATOM 0 HG11 VAL A 82 7.835 -12.723 -0.942 1.00 4.51 H new ATOM 0 HG12 VAL A 82 6.566 -13.347 -2.023 1.00 4.51 H new ATOM 0 HG13 VAL A 82 8.212 -14.021 -2.099 1.00 4.51 H new ATOM 0 HG21 VAL A 82 9.649 -11.302 -1.837 1.00 30.22 H new ATOM 0 HG22 VAL A 82 10.101 -12.542 -3.031 1.00 30.22 H new ATOM 0 HG23 VAL A 82 9.700 -10.894 -3.568 1.00 30.22 H new ATOM 1285 N ILE A 83 5.729 -13.801 -5.088 1.00 24.22 N ATOM 1286 CA ILE A 83 4.305 -13.979 -5.340 1.00 71.53 C ATOM 1287 C ILE A 83 3.569 -14.393 -4.070 1.00 40.32 C ATOM 1288 O ILE A 83 3.983 -15.319 -3.374 1.00 30.45 O ATOM 1289 CB ILE A 83 4.055 -15.036 -6.432 1.00 73.51 C ATOM 1290 CG1 ILE A 83 2.558 -15.325 -6.559 1.00 74.53 C ATOM 1291 CG2 ILE A 83 4.821 -16.313 -6.119 1.00 44.24 C ATOM 1292 CD1 ILE A 83 2.102 -16.519 -5.750 1.00 33.15 C ATOM 0 H ILE A 83 6.301 -14.619 -5.299 1.00 24.22 H new ATOM 0 HA ILE A 83 3.922 -13.017 -5.681 1.00 71.53 H new ATOM 0 HB ILE A 83 4.413 -14.645 -7.384 1.00 73.51 H new ATOM 0 HG12 ILE A 83 1.998 -14.446 -6.241 1.00 74.53 H new ATOM 0 HG13 ILE A 83 2.317 -15.494 -7.608 1.00 74.53 H new ATOM 0 HG21 ILE A 83 4.634 -17.050 -6.900 1.00 44.24 H new ATOM 0 HG22 ILE A 83 5.888 -16.095 -6.074 1.00 44.24 H new ATOM 0 HG23 ILE A 83 4.490 -16.710 -5.159 1.00 44.24 H new ATOM 0 HD11 ILE A 83 1.031 -16.664 -5.888 1.00 33.15 H new ATOM 0 HD12 ILE A 83 2.635 -17.409 -6.084 1.00 33.15 H new ATOM 0 HD13 ILE A 83 2.311 -16.345 -4.695 1.00 33.15 H new ATOM 1304 N VAL A 84 2.474 -13.700 -3.775 1.00 54.25 N ATOM 1305 CA VAL A 84 1.677 -13.996 -2.591 1.00 21.33 C ATOM 1306 C VAL A 84 0.230 -14.297 -2.963 1.00 14.22 C ATOM 1307 O VAL A 84 -0.359 -13.619 -3.806 1.00 30.35 O ATOM 1308 CB VAL A 84 1.706 -12.827 -1.588 1.00 71.41 C ATOM 1309 CG1 VAL A 84 3.055 -12.757 -0.889 1.00 12.23 C ATOM 1310 CG2 VAL A 84 1.391 -11.515 -2.291 1.00 21.42 C ATOM 0 H VAL A 84 2.118 -12.929 -4.340 1.00 54.25 H new ATOM 0 HA VAL A 84 2.119 -14.876 -2.124 1.00 21.33 H new ATOM 0 HB VAL A 84 0.941 -13.000 -0.831 1.00 71.41 H new ATOM 0 HG11 VAL A 84 3.057 -11.925 -0.184 1.00 12.23 H new ATOM 0 HG12 VAL A 84 3.235 -13.688 -0.352 1.00 12.23 H new ATOM 0 HG13 VAL A 84 3.841 -12.607 -1.629 1.00 12.23 H new ATOM 0 HG21 VAL A 84 1.416 -10.700 -1.568 1.00 21.42 H new ATOM 0 HG22 VAL A 84 2.132 -11.332 -3.069 1.00 21.42 H new ATOM 0 HG23 VAL A 84 0.399 -11.572 -2.740 1.00 21.42 H new ATOM 1320 N ASP A 85 -0.339 -15.316 -2.329 1.00 21.33 N ATOM 1321 CA ASP A 85 -1.719 -15.706 -2.591 1.00 73.35 C ATOM 1322 C ASP A 85 -2.652 -15.161 -1.515 1.00 33.55 C ATOM 1323 O ASP A 85 -2.557 -15.540 -0.347 1.00 62.30 O ATOM 1324 CB ASP A 85 -1.837 -17.230 -2.662 1.00 44.34 C ATOM 1325 CG ASP A 85 -2.481 -17.701 -3.951 1.00 71.30 C ATOM 1326 OD1 ASP A 85 -1.943 -17.386 -5.033 1.00 31.32 O ATOM 1327 OD2 ASP A 85 -3.524 -18.385 -3.878 1.00 10.22 O ATOM 0 H ASP A 85 0.135 -15.887 -1.629 1.00 21.33 H new ATOM 0 HA ASP A 85 -2.014 -15.282 -3.551 1.00 73.35 H new ATOM 0 HB2 ASP A 85 -0.845 -17.673 -2.572 1.00 44.34 H new ATOM 0 HB3 ASP A 85 -2.423 -17.586 -1.815 1.00 44.34 H new ATOM 1332 N ARG A 86 -3.553 -14.270 -1.915 1.00 1.01 N ATOM 1333 CA ARG A 86 -4.501 -13.671 -0.984 1.00 35.14 C ATOM 1334 C ARG A 86 -3.789 -12.742 -0.004 1.00 74.54 C ATOM 1335 O ARG A 86 -3.411 -13.136 1.099 1.00 13.13 O ATOM 1336 CB ARG A 86 -5.252 -14.761 -0.216 1.00 11.22 C ATOM 1337 CG ARG A 86 -6.741 -14.802 -0.517 1.00 33.20 C ATOM 1338 CD ARG A 86 -7.154 -16.143 -1.104 1.00 21.13 C ATOM 1339 NE ARG A 86 -8.563 -16.163 -1.486 1.00 52.22 N ATOM 1340 CZ ARG A 86 -9.125 -17.152 -2.173 1.00 4.14 C ATOM 1341 NH1 ARG A 86 -8.400 -18.196 -2.549 1.00 71.45 N ATOM 1342 NH2 ARG A 86 -10.414 -17.098 -2.483 1.00 44.50 N ATOM 0 H ARG A 86 -3.646 -13.947 -2.878 1.00 1.01 H new ATOM 0 HA ARG A 86 -5.216 -13.084 -1.560 1.00 35.14 H new ATOM 0 HB2 ARG A 86 -4.815 -15.730 -0.456 1.00 11.22 H new ATOM 0 HB3 ARG A 86 -5.110 -14.604 0.853 1.00 11.22 H new ATOM 0 HG2 ARG A 86 -7.304 -14.615 0.398 1.00 33.20 H new ATOM 0 HG3 ARG A 86 -6.994 -14.004 -1.215 1.00 33.20 H new ATOM 0 HD2 ARG A 86 -6.539 -16.361 -1.977 1.00 21.13 H new ATOM 0 HD3 ARG A 86 -6.965 -16.931 -0.375 1.00 21.13 H new ATOM 0 HE ARG A 86 -9.148 -15.374 -1.210 1.00 52.22 H new ATOM 0 HH11 ARG A 86 -7.409 -18.241 -2.311 1.00 71.45 H new ATOM 0 HH12 ARG A 86 -8.833 -18.954 -3.076 1.00 71.45 H new ATOM 0 HH21 ARG A 86 -10.975 -16.297 -2.194 1.00 44.50 H new ATOM 0 HH22 ARG A 86 -10.844 -17.858 -3.010 1.00 44.50 H new ATOM 1356 N PRO A 87 -3.601 -11.480 -0.416 1.00 51.12 N ATOM 1357 CA PRO A 87 -4.046 -11.000 -1.728 1.00 33.41 C ATOM 1358 C PRO A 87 -3.232 -11.598 -2.871 1.00 34.25 C ATOM 1359 O PRO A 87 -2.117 -12.079 -2.667 1.00 3.53 O ATOM 1360 CB PRO A 87 -3.824 -9.488 -1.647 1.00 63.10 C ATOM 1361 CG PRO A 87 -2.745 -9.318 -0.634 1.00 11.44 C ATOM 1362 CD PRO A 87 -2.938 -10.423 0.367 1.00 74.52 C ATOM 0 HA PRO A 87 -5.078 -11.282 -1.936 1.00 33.41 H new ATOM 0 HB2 PRO A 87 -3.528 -9.079 -2.613 1.00 63.10 H new ATOM 0 HB3 PRO A 87 -4.735 -8.970 -1.347 1.00 63.10 H new ATOM 0 HG2 PRO A 87 -1.761 -9.380 -1.098 1.00 11.44 H new ATOM 0 HG3 PRO A 87 -2.810 -8.341 -0.154 1.00 11.44 H new ATOM 0 HD2 PRO A 87 -1.988 -10.763 0.778 1.00 74.52 H new ATOM 0 HD3 PRO A 87 -3.552 -10.101 1.208 1.00 74.52 H new ATOM 1370 N LEU A 88 -3.797 -11.565 -4.073 1.00 24.43 N ATOM 1371 CA LEU A 88 -3.123 -12.104 -5.249 1.00 44.11 C ATOM 1372 C LEU A 88 -2.269 -11.035 -5.925 1.00 31.25 C ATOM 1373 O LEU A 88 -2.790 -10.141 -6.590 1.00 74.02 O ATOM 1374 CB LEU A 88 -4.148 -12.656 -6.241 1.00 11.21 C ATOM 1375 CG LEU A 88 -4.493 -14.138 -6.094 1.00 71.24 C ATOM 1376 CD1 LEU A 88 -5.833 -14.308 -5.396 1.00 12.14 C ATOM 1377 CD2 LEU A 88 -4.509 -14.819 -7.455 1.00 73.12 C ATOM 0 H LEU A 88 -4.719 -11.171 -4.259 1.00 24.43 H new ATOM 0 HA LEU A 88 -2.469 -12.913 -4.923 1.00 44.11 H new ATOM 0 HB2 LEU A 88 -5.067 -12.078 -6.143 1.00 11.21 H new ATOM 0 HB3 LEU A 88 -3.773 -12.489 -7.251 1.00 11.21 H new ATOM 0 HG LEU A 88 -3.725 -14.611 -5.482 1.00 71.24 H new ATOM 0 HD11 LEU A 88 -6.061 -15.370 -5.301 1.00 12.14 H new ATOM 0 HD12 LEU A 88 -5.787 -13.856 -4.405 1.00 12.14 H new ATOM 0 HD13 LEU A 88 -6.613 -13.820 -5.981 1.00 12.14 H new ATOM 0 HD21 LEU A 88 -4.756 -15.873 -7.331 1.00 73.12 H new ATOM 0 HD22 LEU A 88 -5.255 -14.343 -8.091 1.00 73.12 H new ATOM 0 HD23 LEU A 88 -3.527 -14.729 -7.919 1.00 73.12 H new ATOM 1389 N GLN A 89 -0.955 -11.136 -5.750 1.00 35.54 N ATOM 1390 CA GLN A 89 -0.030 -10.179 -6.344 1.00 31.11 C ATOM 1391 C GLN A 89 1.416 -10.572 -6.061 1.00 61.44 C ATOM 1392 O GLN A 89 1.681 -11.609 -5.452 1.00 52.21 O ATOM 1393 CB GLN A 89 -0.303 -8.773 -5.807 1.00 30.14 C ATOM 1394 CG GLN A 89 -0.435 -8.715 -4.293 1.00 71.13 C ATOM 1395 CD GLN A 89 -0.357 -7.300 -3.755 1.00 33.25 C ATOM 1396 OE1 GLN A 89 -0.591 -6.333 -4.480 1.00 71.54 O ATOM 1397 NE2 GLN A 89 -0.028 -7.171 -2.475 1.00 23.23 N ATOM 0 H GLN A 89 -0.508 -11.871 -5.202 1.00 35.54 H new ATOM 0 HA GLN A 89 -0.184 -10.185 -7.423 1.00 31.11 H new ATOM 0 HB2 GLN A 89 0.505 -8.111 -6.119 1.00 30.14 H new ATOM 0 HB3 GLN A 89 -1.219 -8.392 -6.258 1.00 30.14 H new ATOM 0 HG2 GLN A 89 -1.385 -9.160 -3.997 1.00 71.13 H new ATOM 0 HG3 GLN A 89 0.353 -9.316 -3.840 1.00 71.13 H new ATOM 0 HE21 GLN A 89 0.158 -8.000 -1.910 1.00 23.23 H new ATOM 0 HE22 GLN A 89 0.039 -6.243 -2.057 1.00 23.23 H new ATOM 1406 N VAL A 90 2.349 -9.738 -6.509 1.00 3.05 N ATOM 1407 CA VAL A 90 3.769 -9.998 -6.303 1.00 41.01 C ATOM 1408 C VAL A 90 4.470 -8.783 -5.706 1.00 15.15 C ATOM 1409 O VAL A 90 3.993 -7.655 -5.830 1.00 13.53 O ATOM 1410 CB VAL A 90 4.466 -10.381 -7.622 1.00 61.40 C ATOM 1411 CG1 VAL A 90 4.164 -11.827 -7.985 1.00 71.32 C ATOM 1412 CG2 VAL A 90 4.042 -9.442 -8.741 1.00 32.20 C ATOM 0 H VAL A 90 2.147 -8.877 -7.017 1.00 3.05 H new ATOM 0 HA VAL A 90 3.840 -10.833 -5.606 1.00 41.01 H new ATOM 0 HB VAL A 90 5.543 -10.283 -7.485 1.00 61.40 H new ATOM 0 HG11 VAL A 90 4.665 -12.080 -8.920 1.00 71.32 H new ATOM 0 HG12 VAL A 90 4.522 -12.484 -7.192 1.00 71.32 H new ATOM 0 HG13 VAL A 90 3.088 -11.955 -8.104 1.00 71.32 H new ATOM 0 HG21 VAL A 90 4.544 -9.727 -9.665 1.00 32.20 H new ATOM 0 HG22 VAL A 90 2.963 -9.505 -8.880 1.00 32.20 H new ATOM 0 HG23 VAL A 90 4.315 -8.419 -8.481 1.00 32.20 H new ATOM 1422 N PHE A 91 5.605 -9.021 -5.057 1.00 15.24 N ATOM 1423 CA PHE A 91 6.372 -7.946 -4.439 1.00 14.54 C ATOM 1424 C PHE A 91 7.706 -7.750 -5.152 1.00 42.11 C ATOM 1425 O PHE A 91 8.263 -8.690 -5.720 1.00 21.11 O ATOM 1426 CB PHE A 91 6.612 -8.247 -2.958 1.00 34.41 C ATOM 1427 CG PHE A 91 5.353 -8.266 -2.138 1.00 60.13 C ATOM 1428 CD1 PHE A 91 4.513 -7.165 -2.110 1.00 55.13 C ATOM 1429 CD2 PHE A 91 5.010 -9.385 -1.396 1.00 42.14 C ATOM 1430 CE1 PHE A 91 3.354 -7.179 -1.356 1.00 63.33 C ATOM 1431 CE2 PHE A 91 3.853 -9.405 -0.641 1.00 30.32 C ATOM 1432 CZ PHE A 91 3.023 -8.301 -0.622 1.00 25.23 C ATOM 0 H PHE A 91 6.014 -9.949 -4.945 1.00 15.24 H new ATOM 0 HA PHE A 91 5.795 -7.026 -4.526 1.00 14.54 H new ATOM 0 HB2 PHE A 91 7.109 -9.213 -2.868 1.00 34.41 H new ATOM 0 HB3 PHE A 91 7.291 -7.499 -2.549 1.00 34.41 H new ATOM 0 HD1 PHE A 91 4.766 -6.286 -2.684 1.00 55.13 H new ATOM 0 HD2 PHE A 91 5.655 -10.252 -1.408 1.00 42.14 H new ATOM 0 HE1 PHE A 91 2.708 -6.313 -1.341 1.00 63.33 H new ATOM 0 HE2 PHE A 91 3.598 -10.283 -0.066 1.00 30.32 H new ATOM 0 HZ PHE A 91 2.117 -8.315 -0.034 1.00 25.23 H new ATOM 1442 N HIS A 92 8.214 -6.522 -5.119 1.00 54.32 N ATOM 1443 CA HIS A 92 9.483 -6.201 -5.763 1.00 31.55 C ATOM 1444 C HIS A 92 10.644 -6.372 -4.788 1.00 23.40 C ATOM 1445 O HIS A 92 10.715 -5.691 -3.765 1.00 44.12 O ATOM 1446 CB HIS A 92 9.460 -4.770 -6.300 1.00 75.32 C ATOM 1447 CG HIS A 92 10.117 -4.622 -7.638 1.00 35.31 C ATOM 1448 ND1 HIS A 92 11.186 -3.781 -7.862 1.00 70.22 N ATOM 1449 CD2 HIS A 92 9.851 -5.215 -8.825 1.00 71.52 C ATOM 1450 CE1 HIS A 92 11.549 -3.862 -9.130 1.00 34.11 C ATOM 1451 NE2 HIS A 92 10.754 -4.726 -9.736 1.00 65.11 N ATOM 0 H HIS A 92 7.766 -5.733 -4.653 1.00 54.32 H new ATOM 0 HA HIS A 92 9.625 -6.890 -6.595 1.00 31.55 H new ATOM 0 HB2 HIS A 92 8.425 -4.435 -6.373 1.00 75.32 H new ATOM 0 HB3 HIS A 92 9.958 -4.114 -5.585 1.00 75.32 H new ATOM 0 HD2 HIS A 92 9.073 -5.938 -9.019 1.00 71.52 H new ATOM 0 HE1 HIS A 92 12.358 -3.315 -9.592 1.00 34.11 H new ATOM 0 HE2 HIS A 92 10.803 -4.987 -10.721 1.00 65.11 H new ATOM 1459 N VAL A 93 11.552 -7.288 -5.112 1.00 5.52 N ATOM 1460 CA VAL A 93 12.711 -7.548 -4.265 1.00 52.15 C ATOM 1461 C VAL A 93 14.010 -7.373 -5.043 1.00 62.04 C ATOM 1462 O VAL A 93 14.178 -7.937 -6.124 1.00 41.42 O ATOM 1463 CB VAL A 93 12.666 -8.970 -3.675 1.00 42.20 C ATOM 1464 CG1 VAL A 93 13.928 -9.256 -2.875 1.00 50.21 C ATOM 1465 CG2 VAL A 93 11.426 -9.149 -2.812 1.00 61.45 C ATOM 0 H VAL A 93 11.507 -7.862 -5.954 1.00 5.52 H new ATOM 0 HA VAL A 93 12.678 -6.824 -3.451 1.00 52.15 H new ATOM 0 HB VAL A 93 12.615 -9.685 -4.497 1.00 42.20 H new ATOM 0 HG11 VAL A 93 13.878 -10.265 -2.466 1.00 50.21 H new ATOM 0 HG12 VAL A 93 14.798 -9.171 -3.526 1.00 50.21 H new ATOM 0 HG13 VAL A 93 14.013 -8.538 -2.060 1.00 50.21 H new ATOM 0 HG21 VAL A 93 11.410 -10.159 -2.403 1.00 61.45 H new ATOM 0 HG22 VAL A 93 11.444 -8.427 -1.995 1.00 61.45 H new ATOM 0 HG23 VAL A 93 10.534 -8.989 -3.418 1.00 61.45 H new ATOM 1475 N GLU A 94 14.927 -6.588 -4.485 1.00 72.42 N ATOM 1476 CA GLU A 94 16.212 -6.339 -5.128 1.00 31.33 C ATOM 1477 C GLU A 94 17.357 -6.495 -4.132 1.00 4.03 C ATOM 1478 O GLU A 94 17.502 -5.697 -3.205 1.00 61.32 O ATOM 1479 CB GLU A 94 16.239 -4.936 -5.738 1.00 32.34 C ATOM 1480 CG GLU A 94 17.329 -4.746 -6.779 1.00 20.03 C ATOM 1481 CD GLU A 94 18.030 -3.408 -6.651 1.00 44.31 C ATOM 1482 OE1 GLU A 94 18.787 -3.224 -5.675 1.00 32.32 O ATOM 1483 OE2 GLU A 94 17.823 -2.544 -7.529 1.00 14.32 O ATOM 0 H GLU A 94 14.804 -6.114 -3.590 1.00 72.42 H new ATOM 0 HA GLU A 94 16.341 -7.075 -5.922 1.00 31.33 H new ATOM 0 HB2 GLU A 94 15.271 -4.729 -6.195 1.00 32.34 H new ATOM 0 HB3 GLU A 94 16.378 -4.205 -4.941 1.00 32.34 H new ATOM 0 HG2 GLU A 94 18.062 -5.547 -6.682 1.00 20.03 H new ATOM 0 HG3 GLU A 94 16.894 -4.830 -7.775 1.00 20.03 H new ATOM 1490 N VAL A 95 18.169 -7.529 -4.329 1.00 43.23 N ATOM 1491 CA VAL A 95 19.302 -7.790 -3.450 1.00 5.02 C ATOM 1492 C VAL A 95 20.623 -7.493 -4.152 1.00 12.02 C ATOM 1493 O VAL A 95 20.884 -8.000 -5.242 1.00 45.42 O ATOM 1494 CB VAL A 95 19.310 -9.251 -2.963 1.00 31.21 C ATOM 1495 CG1 VAL A 95 18.110 -9.522 -2.068 1.00 61.11 C ATOM 1496 CG2 VAL A 95 19.329 -10.207 -4.146 1.00 43.34 C ATOM 0 H VAL A 95 18.063 -8.200 -5.090 1.00 43.23 H new ATOM 0 HA VAL A 95 19.194 -7.129 -2.590 1.00 5.02 H new ATOM 0 HB VAL A 95 20.215 -9.415 -2.378 1.00 31.21 H new ATOM 0 HG11 VAL A 95 18.132 -10.559 -1.734 1.00 61.11 H new ATOM 0 HG12 VAL A 95 18.145 -8.861 -1.202 1.00 61.11 H new ATOM 0 HG13 VAL A 95 17.191 -9.341 -2.626 1.00 61.11 H new ATOM 0 HG21 VAL A 95 19.334 -11.235 -3.783 1.00 43.34 H new ATOM 0 HG22 VAL A 95 18.443 -10.044 -4.760 1.00 43.34 H new ATOM 0 HG23 VAL A 95 20.223 -10.029 -4.744 1.00 43.34 H new ATOM 1506 N GLU A 96 21.451 -6.669 -3.518 1.00 44.22 N ATOM 1507 CA GLU A 96 22.745 -6.304 -4.083 1.00 63.21 C ATOM 1508 C GLU A 96 23.880 -6.998 -3.336 1.00 23.14 C ATOM 1509 O GLU A 96 23.741 -7.355 -2.166 1.00 22.42 O ATOM 1510 CB GLU A 96 22.939 -4.787 -4.033 1.00 64.31 C ATOM 1511 CG GLU A 96 23.527 -4.206 -5.308 1.00 71.44 C ATOM 1512 CD GLU A 96 23.885 -2.740 -5.170 1.00 45.42 C ATOM 1513 OE1 GLU A 96 22.964 -1.918 -4.986 1.00 53.44 O ATOM 1514 OE2 GLU A 96 25.089 -2.414 -5.246 1.00 31.13 O ATOM 0 H GLU A 96 21.249 -6.242 -2.614 1.00 44.22 H new ATOM 0 HA GLU A 96 22.764 -6.631 -5.123 1.00 63.21 H new ATOM 0 HB2 GLU A 96 21.977 -4.313 -3.837 1.00 64.31 H new ATOM 0 HB3 GLU A 96 23.592 -4.540 -3.196 1.00 64.31 H new ATOM 0 HG2 GLU A 96 24.419 -4.770 -5.582 1.00 71.44 H new ATOM 0 HG3 GLU A 96 22.811 -4.326 -6.121 1.00 71.44 H new ATOM 1521 N VAL A 97 25.004 -7.186 -4.020 1.00 61.24 N ATOM 1522 CA VAL A 97 26.164 -7.836 -3.422 1.00 70.54 C ATOM 1523 C VAL A 97 27.202 -6.811 -2.980 1.00 52.04 C ATOM 1524 O VAL A 97 27.584 -5.929 -3.749 1.00 41.41 O ATOM 1525 CB VAL A 97 26.821 -8.825 -4.404 1.00 31.33 C ATOM 1526 CG1 VAL A 97 26.002 -10.103 -4.503 1.00 30.34 C ATOM 1527 CG2 VAL A 97 26.990 -8.184 -5.773 1.00 3.35 C ATOM 0 H VAL A 97 25.136 -6.897 -4.989 1.00 61.24 H new ATOM 0 HA VAL A 97 25.805 -8.384 -2.551 1.00 70.54 H new ATOM 0 HB VAL A 97 27.810 -9.083 -4.024 1.00 31.33 H new ATOM 0 HG11 VAL A 97 26.481 -10.789 -5.201 1.00 30.34 H new ATOM 0 HG12 VAL A 97 25.938 -10.571 -3.521 1.00 30.34 H new ATOM 0 HG13 VAL A 97 24.999 -9.866 -4.858 1.00 30.34 H new ATOM 0 HG21 VAL A 97 27.456 -8.897 -6.454 1.00 3.35 H new ATOM 0 HG22 VAL A 97 26.014 -7.895 -6.162 1.00 3.35 H new ATOM 0 HG23 VAL A 97 27.622 -7.300 -5.685 1.00 3.35 H new ATOM 1537 N ARG A 98 27.655 -6.934 -1.737 1.00 14.31 N ATOM 1538 CA ARG A 98 28.648 -6.017 -1.192 1.00 3.23 C ATOM 1539 C ARG A 98 30.000 -6.709 -1.037 1.00 55.31 C ATOM 1540 O ARG A 98 30.140 -7.650 -0.256 1.00 45.21 O ATOM 1541 CB ARG A 98 28.184 -5.473 0.161 1.00 60.12 C ATOM 1542 CG ARG A 98 29.036 -4.327 0.682 1.00 62.53 C ATOM 1543 CD ARG A 98 28.389 -3.652 1.880 1.00 14.32 C ATOM 1544 NE ARG A 98 28.260 -2.209 1.692 1.00 74.24 N ATOM 1545 CZ ARG A 98 27.510 -1.431 2.465 1.00 61.25 C ATOM 1546 NH1 ARG A 98 26.827 -1.954 3.473 1.00 33.02 N ATOM 1547 NH2 ARG A 98 27.444 -0.127 2.229 1.00 14.14 N ATOM 0 H ARG A 98 27.350 -7.660 -1.088 1.00 14.31 H new ATOM 0 HA ARG A 98 28.761 -5.187 -1.890 1.00 3.23 H new ATOM 0 HB2 ARG A 98 27.151 -5.136 0.072 1.00 60.12 H new ATOM 0 HB3 ARG A 98 28.193 -6.282 0.891 1.00 60.12 H new ATOM 0 HG2 ARG A 98 30.020 -4.702 0.962 1.00 62.53 H new ATOM 0 HG3 ARG A 98 29.188 -3.595 -0.111 1.00 62.53 H new ATOM 0 HD2 ARG A 98 27.403 -4.085 2.051 1.00 14.32 H new ATOM 0 HD3 ARG A 98 28.983 -3.850 2.772 1.00 14.32 H new ATOM 0 HE ARG A 98 28.774 -1.775 0.925 1.00 74.24 H new ATOM 0 HH11 ARG A 98 26.876 -2.956 3.657 1.00 33.02 H new ATOM 0 HH12 ARG A 98 26.252 -1.354 4.065 1.00 33.02 H new ATOM 0 HH21 ARG A 98 27.969 0.278 1.454 1.00 14.14 H new ATOM 0 HH22 ARG A 98 26.868 0.470 2.822 1.00 14.14 H new ATOM 1561 N ASP A 99 30.989 -6.236 -1.787 1.00 23.24 N ATOM 1562 CA ASP A 99 32.329 -6.809 -1.733 1.00 5.42 C ATOM 1563 C ASP A 99 33.273 -6.073 -2.680 1.00 32.51 C ATOM 1564 O ASP A 99 32.929 -5.022 -3.221 1.00 64.00 O ATOM 1565 CB ASP A 99 32.287 -8.296 -2.088 1.00 53.41 C ATOM 1566 CG ASP A 99 32.904 -9.166 -1.011 1.00 62.14 C ATOM 1567 OD1 ASP A 99 32.603 -8.940 0.179 1.00 1.30 O ATOM 1568 OD2 ASP A 99 33.689 -10.073 -1.359 1.00 62.31 O ATOM 0 H ASP A 99 30.888 -5.458 -2.439 1.00 23.24 H new ATOM 0 HA ASP A 99 32.704 -6.698 -0.716 1.00 5.42 H new ATOM 0 HB2 ASP A 99 31.252 -8.599 -2.247 1.00 53.41 H new ATOM 0 HB3 ASP A 99 32.815 -8.457 -3.028 1.00 53.41 H new ATOM 1573 N ILE A 100 34.462 -6.633 -2.874 1.00 61.14 N ATOM 1574 CA ILE A 100 35.454 -6.030 -3.756 1.00 24.52 C ATOM 1575 C ILE A 100 35.834 -6.980 -4.887 1.00 22.44 C ATOM 1576 O ILE A 100 35.681 -8.195 -4.768 1.00 73.22 O ATOM 1577 CB ILE A 100 36.727 -5.635 -2.984 1.00 12.42 C ATOM 1578 CG1 ILE A 100 37.326 -6.856 -2.284 1.00 33.24 C ATOM 1579 CG2 ILE A 100 36.415 -4.539 -1.975 1.00 60.11 C ATOM 1580 CD1 ILE A 100 38.820 -6.759 -2.072 1.00 3.12 C ATOM 0 H ILE A 100 34.762 -7.502 -2.433 1.00 61.14 H new ATOM 0 HA ILE A 100 34.999 -5.133 -4.175 1.00 24.52 H new ATOM 0 HB ILE A 100 37.460 -5.252 -3.694 1.00 12.42 H new ATOM 0 HG12 ILE A 100 36.838 -6.987 -1.318 1.00 33.24 H new ATOM 0 HG13 ILE A 100 37.108 -7.746 -2.874 1.00 33.24 H new ATOM 0 HG21 ILE A 100 37.324 -4.270 -1.437 1.00 60.11 H new ATOM 0 HG22 ILE A 100 36.030 -3.663 -2.497 1.00 60.11 H new ATOM 0 HG23 ILE A 100 35.667 -4.898 -1.268 1.00 60.11 H new ATOM 0 HD11 ILE A 100 39.176 -7.659 -1.571 1.00 3.12 H new ATOM 0 HD12 ILE A 100 39.319 -6.659 -3.036 1.00 3.12 H new ATOM 0 HD13 ILE A 100 39.044 -5.888 -1.456 1.00 3.12 H new ATOM 1592 N ASN A 101 36.333 -6.418 -5.983 1.00 12.44 N ATOM 1593 CA ASN A 101 36.736 -7.215 -7.135 1.00 45.32 C ATOM 1594 C ASN A 101 37.988 -8.030 -6.822 1.00 15.33 C ATOM 1595 O ASN A 101 38.103 -9.188 -7.222 1.00 72.13 O ATOM 1596 CB ASN A 101 36.993 -6.310 -8.342 1.00 74.45 C ATOM 1597 CG ASN A 101 35.728 -5.638 -8.840 1.00 74.31 C ATOM 1598 OD1 ASN A 101 35.368 -4.552 -8.385 1.00 63.13 O ATOM 1599 ND2 ASN A 101 35.045 -6.283 -9.779 1.00 62.32 N ATOM 0 H ASN A 101 36.468 -5.413 -6.097 1.00 12.44 H new ATOM 0 HA ASN A 101 35.925 -7.904 -7.371 1.00 45.32 H new ATOM 0 HB2 ASN A 101 37.724 -5.548 -8.072 1.00 74.45 H new ATOM 0 HB3 ASN A 101 37.430 -6.899 -9.148 1.00 74.45 H new ATOM 0 HD21 ASN A 101 34.185 -5.880 -10.152 1.00 62.32 H new ATOM 0 HD22 ASN A 101 35.380 -7.181 -10.127 1.00 62.32 H new ATOM 1606 N ASP A 102 38.921 -7.417 -6.103 1.00 3.34 N ATOM 1607 CA ASP A 102 40.164 -8.085 -5.733 1.00 75.33 C ATOM 1608 C ASP A 102 39.880 -9.393 -5.000 1.00 52.31 C ATOM 1609 O ASP A 102 40.678 -10.328 -5.047 1.00 11.41 O ATOM 1610 CB ASP A 102 41.019 -7.170 -4.856 1.00 42.25 C ATOM 1611 CG ASP A 102 42.431 -7.013 -5.388 1.00 15.03 C ATOM 1612 OD1 ASP A 102 43.182 -8.010 -5.376 1.00 44.32 O ATOM 1613 OD2 ASP A 102 42.783 -5.893 -5.814 1.00 24.20 O ATOM 0 H ASP A 102 38.841 -6.458 -5.764 1.00 3.34 H new ATOM 0 HA ASP A 102 40.711 -8.313 -6.648 1.00 75.33 H new ATOM 0 HB2 ASP A 102 40.547 -6.190 -4.790 1.00 42.25 H new ATOM 0 HB3 ASP A 102 41.058 -7.573 -3.844 1.00 42.25 H new ATOM 1618 N ASN A 103 38.738 -9.449 -4.322 1.00 71.44 N ATOM 1619 CA ASN A 103 38.350 -10.642 -3.578 1.00 14.45 C ATOM 1620 C ASN A 103 36.933 -10.503 -3.029 1.00 11.34 C ATOM 1621 O ASN A 103 36.524 -11.253 -2.143 1.00 72.11 O ATOM 1622 CB ASN A 103 39.330 -10.894 -2.431 1.00 5.23 C ATOM 1623 CG ASN A 103 39.490 -12.370 -2.120 1.00 42.45 C ATOM 1624 OD1 ASN A 103 40.060 -13.123 -2.910 1.00 31.11 O ATOM 1625 ND2 ASN A 103 38.986 -12.789 -0.966 1.00 22.22 N ATOM 0 H ASN A 103 38.066 -8.683 -4.272 1.00 71.44 H new ATOM 0 HA ASN A 103 38.375 -11.491 -4.262 1.00 14.45 H new ATOM 0 HB2 ASN A 103 40.302 -10.472 -2.688 1.00 5.23 H new ATOM 0 HB3 ASN A 103 38.982 -10.373 -1.539 1.00 5.23 H new ATOM 0 HD21 ASN A 103 39.063 -13.771 -0.703 1.00 22.22 H new ATOM 0 HD22 ASN A 103 38.522 -12.129 -0.342 1.00 22.22 H new TER 1632 ASN A 103