USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 798 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 69 CYS SG : rot -124:sc= -0.0364! USER MOD Set 1.2: A 78 GLN : amide:sc= -1.18 K(o=-1.2,f=-1.8!) USER MOD Set 2.1: A 32 CYS SG : rot -136:sc= -3.09! USER MOD Set 2.2: A 35 CYS SG : rot 106:sc= 0.936! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.283 (180deg=-0.936) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.024) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -0.254 (180deg=-1.25!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= 0.313 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-5.3!) USER MOD Single : A 44 SER OG : rot -150:sc= -0.876 USER MOD Single : A 46 SER OG : rot 179:sc= -3.43! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 51 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.00087) USER MOD Single : A 62 CYS SG : rot -48:sc= 0.529 USER MOD Single : A 63 GLN : amide:sc= -0.0569 K(o=-0.057,f=-0.68) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= -0.268 (180deg=-0.844) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 76 THR OG1 : rot 110:sc= 0.869 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 0.823 (180deg=0.527) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -5! K(o=-5!,f=-0.049) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 1.37 (180deg=1.17) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 77:sc= -0.46 USER MOD Single : A 102 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.083 0.017 9.232 1.00 0.52 N ATOM 21 CA VAL A 2 -2.946 -0.258 8.314 1.00 0.18 C ATOM 22 C VAL A 2 -2.060 -1.355 8.906 1.00 0.14 C ATOM 23 O VAL A 2 -2.053 -1.564 10.103 1.00 0.18 O ATOM 24 CB VAL A 2 -2.132 1.020 8.143 1.00 0.40 C ATOM 25 CG1 VAL A 2 -1.200 0.867 6.940 1.00 0.57 C ATOM 26 CG2 VAL A 2 -3.081 2.193 7.899 1.00 0.46 C ATOM 0 HA VAL A 2 -3.324 -0.589 7.347 1.00 0.18 H new ATOM 0 HB VAL A 2 -1.544 1.204 9.042 1.00 0.40 H new ATOM 0 HG11 VAL A 2 -0.616 1.779 6.814 1.00 0.57 H new ATOM 0 HG12 VAL A 2 -0.528 0.025 7.105 1.00 0.57 H new ATOM 0 HG13 VAL A 2 -1.791 0.688 6.042 1.00 0.57 H new ATOM 0 HG21 VAL A 2 -2.503 3.109 7.776 1.00 0.46 H new ATOM 0 HG22 VAL A 2 -3.664 2.008 6.997 1.00 0.46 H new ATOM 0 HG23 VAL A 2 -3.754 2.300 8.750 1.00 0.46 H new ATOM 36 N LYS A 3 -1.336 -2.032 8.055 1.00 0.12 N ATOM 37 CA LYS A 3 -0.440 -3.121 8.550 1.00 0.20 C ATOM 38 C LYS A 3 0.942 -2.999 7.911 1.00 0.32 C ATOM 39 O LYS A 3 1.082 -3.053 6.706 1.00 0.74 O ATOM 40 CB LYS A 3 -1.052 -4.476 8.193 1.00 0.26 C ATOM 41 CG LYS A 3 -0.580 -5.523 9.205 1.00 0.49 C ATOM 42 CD LYS A 3 -1.557 -5.560 10.385 1.00 1.79 C ATOM 43 CE LYS A 3 -1.055 -6.566 11.425 1.00 2.16 C ATOM 44 NZ LYS A 3 -1.414 -7.956 11.023 1.00 1.52 N ATOM 0 H LYS A 3 -1.325 -1.881 7.046 1.00 0.12 H new ATOM 0 HA LYS A 3 -0.335 -3.036 9.632 1.00 0.20 H new ATOM 0 HB2 LYS A 3 -2.140 -4.410 8.200 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.757 -4.768 7.185 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.525 -6.504 8.733 1.00 0.49 H new ATOM 0 HG3 LYS A 3 0.423 -5.281 9.556 1.00 0.49 H new ATOM 0 HD2 LYS A 3 -1.643 -4.570 10.832 1.00 1.79 H new ATOM 0 HD3 LYS A 3 -2.552 -5.842 10.040 1.00 1.79 H new ATOM 0 HE2 LYS A 3 0.026 -6.480 11.531 1.00 2.16 H new ATOM 0 HE3 LYS A 3 -1.490 -6.339 12.399 1.00 2.16 H new ATOM 0 HZ1 LYS A 3 -1.066 -8.625 11.739 1.00 1.52 H new ATOM 0 HZ2 LYS A 3 -2.448 -8.039 10.945 1.00 1.52 H new ATOM 0 HZ3 LYS A 3 -0.979 -8.175 10.104 1.00 1.52 H new ATOM 58 N GLN A 4 1.935 -2.833 8.738 1.00 0.09 N ATOM 59 CA GLN A 4 3.319 -2.701 8.204 1.00 0.09 C ATOM 60 C GLN A 4 3.908 -4.082 7.914 1.00 0.14 C ATOM 61 O GLN A 4 3.708 -5.016 8.665 1.00 0.19 O ATOM 62 CB GLN A 4 4.185 -1.986 9.238 1.00 0.11 C ATOM 63 CG GLN A 4 5.625 -1.917 8.727 1.00 0.21 C ATOM 64 CD GLN A 4 6.229 -0.564 9.101 1.00 0.49 C ATOM 65 OE1 GLN A 4 6.961 -0.442 10.064 1.00 0.55 O ATOM 66 NE2 GLN A 4 5.947 0.479 8.370 1.00 1.74 N ATOM 0 H GLN A 4 1.850 -2.783 9.753 1.00 0.09 H new ATOM 0 HA GLN A 4 3.294 -2.128 7.277 1.00 0.09 H new ATOM 0 HB2 GLN A 4 3.802 -0.982 9.419 1.00 0.11 H new ATOM 0 HB3 GLN A 4 4.149 -2.517 10.189 1.00 0.11 H new ATOM 0 HG2 GLN A 4 6.216 -2.724 9.160 1.00 0.21 H new ATOM 0 HG3 GLN A 4 5.646 -2.051 7.646 1.00 0.21 H new ATOM 0 HE21 GLN A 4 5.334 0.384 7.561 1.00 1.74 H new ATOM 0 HE22 GLN A 4 6.340 1.390 8.608 1.00 1.74 H new ATOM 75 N ILE A 5 4.622 -4.181 6.829 1.00 0.15 N ATOM 76 CA ILE A 5 5.238 -5.493 6.475 1.00 0.22 C ATOM 77 C ILE A 5 6.630 -5.584 7.108 1.00 0.34 C ATOM 78 O ILE A 5 7.164 -4.595 7.571 1.00 0.23 O ATOM 79 CB ILE A 5 5.363 -5.614 4.937 1.00 0.15 C ATOM 80 CG1 ILE A 5 4.041 -5.191 4.242 1.00 0.15 C ATOM 81 CG2 ILE A 5 5.698 -7.063 4.556 1.00 0.26 C ATOM 82 CD1 ILE A 5 2.998 -6.314 4.333 1.00 0.69 C ATOM 0 H ILE A 5 4.806 -3.419 6.176 1.00 0.15 H new ATOM 0 HA ILE A 5 4.610 -6.301 6.849 1.00 0.22 H new ATOM 0 HB ILE A 5 6.161 -4.951 4.604 1.00 0.15 H new ATOM 0 HG12 ILE A 5 3.651 -4.287 4.710 1.00 0.15 H new ATOM 0 HG13 ILE A 5 4.234 -4.951 3.196 1.00 0.15 H new ATOM 0 HG21 ILE A 5 5.785 -7.143 3.472 1.00 0.26 H new ATOM 0 HG22 ILE A 5 6.642 -7.352 5.018 1.00 0.26 H new ATOM 0 HG23 ILE A 5 4.905 -7.724 4.906 1.00 0.26 H new ATOM 0 HD11 ILE A 5 2.079 -5.998 3.840 1.00 0.69 H new ATOM 0 HD12 ILE A 5 3.383 -7.209 3.844 1.00 0.69 H new ATOM 0 HD13 ILE A 5 2.791 -6.534 5.380 1.00 0.69 H new ATOM 94 N GLU A 6 7.182 -6.768 7.113 1.00 0.59 N ATOM 95 CA GLU A 6 8.539 -6.957 7.712 1.00 0.75 C ATOM 96 C GLU A 6 9.502 -7.521 6.664 1.00 0.53 C ATOM 97 O GLU A 6 10.590 -7.012 6.482 1.00 0.49 O ATOM 98 CB GLU A 6 8.434 -7.931 8.882 1.00 0.95 C ATOM 99 CG GLU A 6 9.842 -8.327 9.325 1.00 1.19 C ATOM 100 CD GLU A 6 9.857 -8.541 10.841 1.00 1.35 C ATOM 101 OE1 GLU A 6 9.574 -9.661 11.233 1.00 2.01 O ATOM 102 OE2 GLU A 6 10.153 -7.572 11.522 1.00 1.65 O ATOM 0 H GLU A 6 6.755 -7.611 6.730 1.00 0.59 H new ATOM 0 HA GLU A 6 8.918 -5.996 8.060 1.00 0.75 H new ATOM 0 HB2 GLU A 6 7.894 -7.470 9.709 1.00 0.95 H new ATOM 0 HB3 GLU A 6 7.869 -8.815 8.587 1.00 0.95 H new ATOM 0 HG2 GLU A 6 10.153 -9.239 8.815 1.00 1.19 H new ATOM 0 HG3 GLU A 6 10.554 -7.549 9.049 1.00 1.19 H new ATOM 109 N SER A 7 9.082 -8.562 5.999 1.00 0.48 N ATOM 110 CA SER A 7 9.962 -9.170 4.959 1.00 0.30 C ATOM 111 C SER A 7 9.117 -9.726 3.809 1.00 0.25 C ATOM 112 O SER A 7 7.921 -9.516 3.756 1.00 0.26 O ATOM 113 CB SER A 7 10.775 -10.300 5.590 1.00 0.22 C ATOM 114 OG SER A 7 9.861 -11.383 5.677 1.00 0.60 O ATOM 0 H SER A 7 8.177 -9.015 6.128 1.00 0.48 H new ATOM 0 HA SER A 7 10.632 -8.406 4.564 1.00 0.30 H new ATOM 0 HB2 SER A 7 11.640 -10.557 4.978 1.00 0.22 H new ATOM 0 HB3 SER A 7 11.152 -10.018 6.573 1.00 0.22 H new ATOM 0 HG SER A 7 10.309 -12.158 6.075 1.00 0.60 H new ATOM 120 N LYS A 8 9.759 -10.422 2.913 1.00 0.24 N ATOM 121 CA LYS A 8 9.010 -10.998 1.757 1.00 0.24 C ATOM 122 C LYS A 8 8.072 -12.107 2.226 1.00 0.18 C ATOM 123 O LYS A 8 6.899 -12.108 1.917 1.00 0.17 O ATOM 124 CB LYS A 8 10.006 -11.568 0.750 1.00 0.32 C ATOM 125 CG LYS A 8 9.236 -12.262 -0.375 1.00 0.42 C ATOM 126 CD LYS A 8 10.155 -12.426 -1.587 1.00 0.71 C ATOM 127 CE LYS A 8 11.366 -13.276 -1.193 1.00 2.02 C ATOM 128 NZ LYS A 8 10.935 -14.465 -0.403 1.00 2.31 N ATOM 0 H LYS A 8 10.760 -10.617 2.928 1.00 0.24 H new ATOM 0 HA LYS A 8 8.416 -10.211 1.292 1.00 0.24 H new ATOM 0 HB2 LYS A 8 10.628 -10.771 0.344 1.00 0.32 H new ATOM 0 HB3 LYS A 8 10.674 -12.276 1.241 1.00 0.32 H new ATOM 0 HG2 LYS A 8 8.879 -13.236 -0.040 1.00 0.42 H new ATOM 0 HG3 LYS A 8 8.358 -11.676 -0.646 1.00 0.42 H new ATOM 0 HD2 LYS A 8 9.614 -12.900 -2.406 1.00 0.71 H new ATOM 0 HD3 LYS A 8 10.482 -11.450 -1.944 1.00 0.71 H new ATOM 0 HE2 LYS A 8 11.897 -13.600 -2.088 1.00 2.02 H new ATOM 0 HE3 LYS A 8 12.063 -12.677 -0.608 1.00 2.02 H new ATOM 0 HZ1 LYS A 8 11.616 -15.239 -0.542 1.00 2.31 H new ATOM 0 HZ2 LYS A 8 10.895 -14.216 0.606 1.00 2.31 H new ATOM 0 HZ3 LYS A 8 9.993 -14.771 -0.722 1.00 2.31 H new ATOM 142 N THR A 9 8.614 -13.020 2.966 1.00 0.16 N ATOM 143 CA THR A 9 7.785 -14.152 3.468 1.00 0.14 C ATOM 144 C THR A 9 6.465 -13.629 4.020 1.00 0.15 C ATOM 145 O THR A 9 5.443 -14.277 3.928 1.00 0.20 O ATOM 146 CB THR A 9 8.551 -14.876 4.577 1.00 0.13 C ATOM 147 OG1 THR A 9 9.719 -15.384 3.941 1.00 0.19 O ATOM 148 CG2 THR A 9 7.793 -16.105 5.074 1.00 0.13 C ATOM 0 H THR A 9 9.594 -13.038 3.249 1.00 0.16 H new ATOM 0 HA THR A 9 7.577 -14.840 2.648 1.00 0.14 H new ATOM 0 HB THR A 9 8.725 -14.197 5.412 1.00 0.13 H new ATOM 0 HG1 THR A 9 10.266 -15.864 4.597 1.00 0.19 H new ATOM 0 HG21 THR A 9 8.368 -16.593 5.861 1.00 0.13 H new ATOM 0 HG22 THR A 9 6.824 -15.800 5.469 1.00 0.13 H new ATOM 0 HG23 THR A 9 7.646 -16.800 4.248 1.00 0.13 H new ATOM 156 N ALA A 10 6.522 -12.465 4.581 1.00 0.13 N ATOM 157 CA ALA A 10 5.291 -11.866 5.159 1.00 0.21 C ATOM 158 C ALA A 10 4.391 -11.307 4.054 1.00 0.23 C ATOM 159 O ALA A 10 3.218 -11.607 4.003 1.00 0.28 O ATOM 160 CB ALA A 10 5.679 -10.743 6.115 1.00 0.24 C ATOM 0 H ALA A 10 7.366 -11.898 4.667 1.00 0.13 H new ATOM 0 HA ALA A 10 4.742 -12.640 5.695 1.00 0.21 H new ATOM 0 HB1 ALA A 10 4.779 -10.301 6.541 1.00 0.24 H new ATOM 0 HB2 ALA A 10 6.300 -11.145 6.916 1.00 0.24 H new ATOM 0 HB3 ALA A 10 6.236 -9.979 5.572 1.00 0.24 H new ATOM 166 N PHE A 11 4.954 -10.496 3.202 1.00 0.20 N ATOM 167 CA PHE A 11 4.132 -9.924 2.098 1.00 0.24 C ATOM 168 C PHE A 11 3.272 -11.029 1.477 1.00 0.28 C ATOM 169 O PHE A 11 2.210 -10.776 0.948 1.00 0.34 O ATOM 170 CB PHE A 11 5.065 -9.339 1.038 1.00 0.19 C ATOM 171 CG PHE A 11 4.243 -8.614 -0.032 1.00 0.15 C ATOM 172 CD1 PHE A 11 3.526 -7.472 0.285 1.00 0.12 C ATOM 173 CD2 PHE A 11 4.206 -9.090 -1.333 1.00 0.15 C ATOM 174 CE1 PHE A 11 2.788 -6.819 -0.682 1.00 0.08 C ATOM 175 CE2 PHE A 11 3.466 -8.435 -2.296 1.00 0.14 C ATOM 176 CZ PHE A 11 2.758 -7.300 -1.971 1.00 0.09 C ATOM 0 H PHE A 11 5.932 -10.208 3.220 1.00 0.20 H new ATOM 0 HA PHE A 11 3.481 -9.141 2.486 1.00 0.24 H new ATOM 0 HB2 PHE A 11 5.768 -8.647 1.501 1.00 0.19 H new ATOM 0 HB3 PHE A 11 5.655 -10.134 0.581 1.00 0.19 H new ATOM 0 HD1 PHE A 11 3.544 -7.090 1.295 1.00 0.12 H new ATOM 0 HD2 PHE A 11 4.760 -9.979 -1.595 1.00 0.15 H new ATOM 0 HE1 PHE A 11 2.233 -5.929 -0.426 1.00 0.08 H new ATOM 0 HE2 PHE A 11 3.442 -8.814 -3.307 1.00 0.14 H new ATOM 0 HZ PHE A 11 2.180 -6.788 -2.726 1.00 0.09 H new ATOM 186 N GLN A 12 3.761 -12.236 1.563 1.00 0.26 N ATOM 187 CA GLN A 12 3.003 -13.388 0.990 1.00 0.32 C ATOM 188 C GLN A 12 1.842 -13.801 1.901 1.00 0.38 C ATOM 189 O GLN A 12 0.688 -13.642 1.555 1.00 0.22 O ATOM 190 CB GLN A 12 3.950 -14.575 0.817 1.00 0.31 C ATOM 191 CG GLN A 12 5.126 -14.156 -0.065 1.00 1.01 C ATOM 192 CD GLN A 12 5.659 -15.380 -0.812 1.00 2.07 C ATOM 193 OE1 GLN A 12 6.819 -15.727 -0.712 1.00 3.34 O ATOM 194 NE2 GLN A 12 4.844 -16.064 -1.569 1.00 1.95 N ATOM 0 H GLN A 12 4.649 -12.475 2.003 1.00 0.26 H new ATOM 0 HA GLN A 12 2.592 -13.082 0.028 1.00 0.32 H new ATOM 0 HB2 GLN A 12 4.311 -14.912 1.789 1.00 0.31 H new ATOM 0 HB3 GLN A 12 3.422 -15.414 0.365 1.00 0.31 H new ATOM 0 HG2 GLN A 12 4.809 -13.392 -0.775 1.00 1.01 H new ATOM 0 HG3 GLN A 12 5.915 -13.716 0.545 1.00 1.01 H new ATOM 0 HE21 GLN A 12 3.869 -15.778 -1.657 1.00 1.95 H new ATOM 0 HE22 GLN A 12 5.182 -16.884 -2.072 1.00 1.95 H new ATOM 203 N GLU A 13 2.178 -14.322 3.046 1.00 0.65 N ATOM 204 CA GLU A 13 1.109 -14.787 3.985 1.00 0.76 C ATOM 205 C GLU A 13 0.081 -13.679 4.233 1.00 0.73 C ATOM 206 O GLU A 13 -1.045 -13.948 4.601 1.00 0.71 O ATOM 207 CB GLU A 13 1.742 -15.228 5.312 1.00 0.92 C ATOM 208 CG GLU A 13 2.183 -14.001 6.114 1.00 1.14 C ATOM 209 CD GLU A 13 1.121 -13.675 7.166 1.00 2.28 C ATOM 210 OE1 GLU A 13 -0.040 -13.870 6.844 1.00 3.19 O ATOM 211 OE2 GLU A 13 1.530 -13.249 8.233 1.00 2.69 O ATOM 0 H GLU A 13 3.135 -14.447 3.375 1.00 0.65 H new ATOM 0 HA GLU A 13 0.593 -15.634 3.532 1.00 0.76 H new ATOM 0 HB2 GLU A 13 1.026 -15.812 5.890 1.00 0.92 H new ATOM 0 HB3 GLU A 13 2.599 -15.874 5.119 1.00 0.92 H new ATOM 0 HG2 GLU A 13 3.142 -14.193 6.596 1.00 1.14 H new ATOM 0 HG3 GLU A 13 2.325 -13.149 5.449 1.00 1.14 H new ATOM 218 N ALA A 14 0.485 -12.457 4.027 1.00 0.76 N ATOM 219 CA ALA A 14 -0.471 -11.333 4.238 1.00 0.74 C ATOM 220 C ALA A 14 -1.538 -11.357 3.144 1.00 0.69 C ATOM 221 O ALA A 14 -2.718 -11.275 3.419 1.00 0.81 O ATOM 222 CB ALA A 14 0.287 -10.008 4.185 1.00 0.69 C ATOM 0 H ALA A 14 1.422 -12.189 3.726 1.00 0.76 H new ATOM 0 HA ALA A 14 -0.950 -11.440 5.211 1.00 0.74 H new ATOM 0 HB1 ALA A 14 -0.410 -9.184 4.339 1.00 0.69 H new ATOM 0 HB2 ALA A 14 1.047 -9.992 4.967 1.00 0.69 H new ATOM 0 HB3 ALA A 14 0.766 -9.901 3.212 1.00 0.69 H new ATOM 228 N LEU A 15 -1.093 -11.477 1.922 1.00 0.55 N ATOM 229 CA LEU A 15 -2.056 -11.520 0.783 1.00 0.52 C ATOM 230 C LEU A 15 -2.854 -12.826 0.824 1.00 0.64 C ATOM 231 O LEU A 15 -3.863 -12.963 0.160 1.00 0.62 O ATOM 232 CB LEU A 15 -1.272 -11.445 -0.525 1.00 0.44 C ATOM 233 CG LEU A 15 -0.515 -10.113 -0.585 1.00 0.32 C ATOM 234 CD1 LEU A 15 0.376 -10.102 -1.826 1.00 0.26 C ATOM 235 CD2 LEU A 15 -1.511 -8.949 -0.668 1.00 0.34 C ATOM 0 H LEU A 15 -0.109 -11.547 1.663 1.00 0.55 H new ATOM 0 HA LEU A 15 -2.747 -10.680 0.855 1.00 0.52 H new ATOM 0 HB2 LEU A 15 -0.572 -12.278 -0.591 1.00 0.44 H new ATOM 0 HB3 LEU A 15 -1.950 -11.530 -1.374 1.00 0.44 H new ATOM 0 HG LEU A 15 0.093 -10.001 0.313 1.00 0.32 H new ATOM 0 HD11 LEU A 15 0.918 -9.158 -1.876 1.00 0.26 H new ATOM 0 HD12 LEU A 15 1.087 -10.926 -1.771 1.00 0.26 H new ATOM 0 HD13 LEU A 15 -0.241 -10.214 -2.718 1.00 0.26 H new ATOM 0 HD21 LEU A 15 -0.966 -8.006 -0.710 1.00 0.34 H new ATOM 0 HD22 LEU A 15 -2.122 -9.056 -1.565 1.00 0.34 H new ATOM 0 HD23 LEU A 15 -2.154 -8.957 0.212 1.00 0.34 H new ATOM 247 N ASP A 16 -2.381 -13.754 1.605 1.00 0.76 N ATOM 248 CA ASP A 16 -3.091 -15.062 1.708 1.00 0.89 C ATOM 249 C ASP A 16 -4.062 -15.041 2.888 1.00 0.97 C ATOM 250 O ASP A 16 -5.074 -15.714 2.879 1.00 1.04 O ATOM 251 CB ASP A 16 -2.064 -16.175 1.908 1.00 0.96 C ATOM 252 CG ASP A 16 -2.645 -17.498 1.406 1.00 1.21 C ATOM 253 OD1 ASP A 16 -3.861 -17.587 1.400 1.00 1.39 O ATOM 254 OD2 ASP A 16 -1.839 -18.344 1.056 1.00 1.93 O ATOM 0 H ASP A 16 -1.539 -13.667 2.174 1.00 0.76 H new ATOM 0 HA ASP A 16 -3.654 -15.240 0.792 1.00 0.89 H new ATOM 0 HB2 ASP A 16 -1.147 -15.940 1.368 1.00 0.96 H new ATOM 0 HB3 ASP A 16 -1.801 -16.257 2.963 1.00 0.96 H new ATOM 259 N ALA A 17 -3.728 -14.267 3.876 1.00 1.02 N ATOM 260 CA ALA A 17 -4.613 -14.173 5.076 1.00 1.12 C ATOM 261 C ALA A 17 -5.463 -12.904 4.992 1.00 0.98 C ATOM 262 O ALA A 17 -6.210 -12.588 5.897 1.00 0.98 O ATOM 263 CB ALA A 17 -3.747 -14.124 6.333 1.00 1.35 C ATOM 0 H ALA A 17 -2.884 -13.695 3.910 1.00 1.02 H new ATOM 0 HA ALA A 17 -5.270 -15.042 5.114 1.00 1.12 H new ATOM 0 HB1 ALA A 17 -4.387 -14.055 7.213 1.00 1.35 H new ATOM 0 HB2 ALA A 17 -3.142 -15.029 6.394 1.00 1.35 H new ATOM 0 HB3 ALA A 17 -3.093 -13.253 6.291 1.00 1.35 H new ATOM 269 N ALA A 18 -5.328 -12.205 3.900 1.00 0.89 N ATOM 270 CA ALA A 18 -6.111 -10.950 3.725 1.00 0.79 C ATOM 271 C ALA A 18 -7.495 -11.265 3.153 1.00 0.56 C ATOM 272 O ALA A 18 -8.382 -10.435 3.176 1.00 0.61 O ATOM 273 CB ALA A 18 -5.363 -10.034 2.762 1.00 0.81 C ATOM 0 H ALA A 18 -4.712 -12.447 3.124 1.00 0.89 H new ATOM 0 HA ALA A 18 -6.233 -10.462 4.692 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -5.927 -9.111 2.626 1.00 0.81 H new ATOM 0 HB2 ALA A 18 -4.380 -9.801 3.171 1.00 0.81 H new ATOM 0 HB3 ALA A 18 -5.247 -10.534 1.800 1.00 0.81 H new ATOM 279 N GLY A 19 -7.650 -12.459 2.654 1.00 0.62 N ATOM 280 CA GLY A 19 -8.964 -12.839 2.071 1.00 0.42 C ATOM 281 C GLY A 19 -9.016 -12.449 0.594 1.00 0.33 C ATOM 282 O GLY A 19 -8.323 -13.018 -0.225 1.00 0.46 O ATOM 0 H GLY A 19 -6.931 -13.181 2.625 1.00 0.62 H new ATOM 0 HA2 GLY A 19 -9.121 -13.912 2.177 1.00 0.42 H new ATOM 0 HA3 GLY A 19 -9.769 -12.344 2.614 1.00 0.42 H new ATOM 286 N ASP A 20 -9.837 -11.486 0.286 1.00 0.18 N ATOM 287 CA ASP A 20 -9.942 -11.047 -1.138 1.00 0.16 C ATOM 288 C ASP A 20 -10.277 -9.554 -1.228 1.00 0.13 C ATOM 289 O ASP A 20 -9.982 -8.920 -2.222 1.00 0.27 O ATOM 290 CB ASP A 20 -11.035 -11.855 -1.834 1.00 0.21 C ATOM 291 CG ASP A 20 -11.767 -12.711 -0.800 1.00 0.85 C ATOM 292 OD1 ASP A 20 -12.673 -12.168 -0.190 1.00 1.85 O ATOM 293 OD2 ASP A 20 -11.378 -13.861 -0.678 1.00 1.51 O ATOM 0 H ASP A 20 -10.434 -10.988 0.946 1.00 0.18 H new ATOM 0 HA ASP A 20 -8.982 -11.215 -1.626 1.00 0.16 H new ATOM 0 HB2 ASP A 20 -11.737 -11.186 -2.331 1.00 0.21 H new ATOM 0 HB3 ASP A 20 -10.599 -12.490 -2.605 1.00 0.21 H new ATOM 298 N LYS A 21 -10.900 -9.028 -0.196 1.00 0.06 N ATOM 299 CA LYS A 21 -11.252 -7.570 -0.208 1.00 0.14 C ATOM 300 C LYS A 21 -10.109 -6.766 -0.825 1.00 0.15 C ATOM 301 O LYS A 21 -8.996 -7.229 -0.884 1.00 0.12 O ATOM 302 CB LYS A 21 -11.482 -7.094 1.226 1.00 0.19 C ATOM 303 CG LYS A 21 -12.466 -8.034 1.925 1.00 0.36 C ATOM 304 CD LYS A 21 -11.755 -8.730 3.087 1.00 0.91 C ATOM 305 CE LYS A 21 -12.758 -9.615 3.830 1.00 1.11 C ATOM 306 NZ LYS A 21 -13.246 -8.929 5.060 1.00 0.82 N ATOM 0 H LYS A 21 -11.176 -9.538 0.643 1.00 0.06 H new ATOM 0 HA LYS A 21 -12.157 -7.424 -0.798 1.00 0.14 H new ATOM 0 HB2 LYS A 21 -10.537 -7.071 1.769 1.00 0.19 H new ATOM 0 HB3 LYS A 21 -11.873 -6.077 1.224 1.00 0.19 H new ATOM 0 HG2 LYS A 21 -13.326 -7.473 2.292 1.00 0.36 H new ATOM 0 HG3 LYS A 21 -12.845 -8.773 1.220 1.00 0.36 H new ATOM 0 HD2 LYS A 21 -10.926 -9.332 2.714 1.00 0.91 H new ATOM 0 HD3 LYS A 21 -11.331 -7.990 3.766 1.00 0.91 H new ATOM 0 HE2 LYS A 21 -13.600 -9.848 3.178 1.00 1.11 H new ATOM 0 HE3 LYS A 21 -12.289 -10.562 4.096 1.00 1.11 H new ATOM 0 HZ1 LYS A 21 -13.926 -9.542 5.553 1.00 0.82 H new ATOM 0 HZ2 LYS A 21 -12.442 -8.729 5.688 1.00 0.82 H new ATOM 0 HZ3 LYS A 21 -13.712 -8.037 4.798 1.00 0.82 H new ATOM 320 N LEU A 22 -10.405 -5.582 -1.269 1.00 0.21 N ATOM 321 CA LEU A 22 -9.338 -4.748 -1.894 1.00 0.22 C ATOM 322 C LEU A 22 -8.096 -4.694 -0.997 1.00 0.13 C ATOM 323 O LEU A 22 -8.201 -4.492 0.197 1.00 0.14 O ATOM 324 CB LEU A 22 -9.869 -3.335 -2.092 1.00 0.30 C ATOM 325 CG LEU A 22 -9.678 -2.921 -3.548 1.00 0.18 C ATOM 326 CD1 LEU A 22 -10.608 -3.756 -4.434 1.00 1.24 C ATOM 327 CD2 LEU A 22 -10.027 -1.434 -3.689 1.00 1.45 C ATOM 0 H LEU A 22 -11.330 -5.154 -1.229 1.00 0.21 H new ATOM 0 HA LEU A 22 -9.060 -5.190 -2.851 1.00 0.22 H new ATOM 0 HB2 LEU A 22 -10.925 -3.291 -1.825 1.00 0.30 H new ATOM 0 HB3 LEU A 22 -9.345 -2.642 -1.434 1.00 0.30 H new ATOM 0 HG LEU A 22 -8.645 -3.086 -3.854 1.00 0.18 H new ATOM 0 HD11 LEU A 22 -10.476 -3.465 -5.476 1.00 1.24 H new ATOM 0 HD12 LEU A 22 -10.368 -4.813 -4.319 1.00 1.24 H new ATOM 0 HD13 LEU A 22 -11.643 -3.585 -4.138 1.00 1.24 H new ATOM 0 HD21 LEU A 22 -9.894 -1.126 -4.726 1.00 1.45 H new ATOM 0 HD22 LEU A 22 -11.064 -1.274 -3.393 1.00 1.45 H new ATOM 0 HD23 LEU A 22 -9.371 -0.844 -3.049 1.00 1.45 H new ATOM 339 N VAL A 23 -6.944 -4.877 -1.602 1.00 0.08 N ATOM 340 CA VAL A 23 -5.670 -4.827 -0.817 1.00 0.06 C ATOM 341 C VAL A 23 -4.766 -3.745 -1.426 1.00 0.08 C ATOM 342 O VAL A 23 -4.022 -4.008 -2.347 1.00 0.09 O ATOM 343 CB VAL A 23 -4.976 -6.204 -0.906 1.00 0.18 C ATOM 344 CG1 VAL A 23 -3.825 -6.293 0.109 1.00 0.45 C ATOM 345 CG2 VAL A 23 -5.993 -7.311 -0.623 1.00 0.10 C ATOM 0 H VAL A 23 -6.833 -5.058 -2.600 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.870 -4.592 0.228 1.00 0.06 H new ATOM 0 HB VAL A 23 -4.570 -6.326 -1.910 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -3.347 -7.270 0.033 1.00 0.45 H new ATOM 0 HG12 VAL A 23 -3.093 -5.513 -0.102 1.00 0.45 H new ATOM 0 HG13 VAL A 23 -4.218 -6.159 1.117 1.00 0.45 H new ATOM 0 HG21 VAL A 23 -5.501 -8.282 -0.686 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.407 -7.178 0.377 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.797 -7.263 -1.357 1.00 0.10 H new ATOM 355 N VAL A 24 -4.849 -2.552 -0.895 1.00 0.14 N ATOM 356 CA VAL A 24 -4.027 -1.438 -1.464 1.00 0.21 C ATOM 357 C VAL A 24 -2.743 -1.223 -0.655 1.00 0.23 C ATOM 358 O VAL A 24 -2.792 -0.931 0.523 1.00 0.40 O ATOM 359 CB VAL A 24 -4.857 -0.161 -1.444 1.00 0.28 C ATOM 360 CG1 VAL A 24 -4.030 0.976 -2.029 1.00 0.35 C ATOM 361 CG2 VAL A 24 -6.114 -0.361 -2.292 1.00 0.29 C ATOM 0 H VAL A 24 -5.441 -2.301 -0.103 1.00 0.14 H new ATOM 0 HA VAL A 24 -3.743 -1.698 -2.484 1.00 0.21 H new ATOM 0 HB VAL A 24 -5.143 0.078 -0.420 1.00 0.28 H new ATOM 0 HG11 VAL A 24 -4.616 1.895 -2.019 1.00 0.35 H new ATOM 0 HG12 VAL A 24 -3.128 1.114 -1.433 1.00 0.35 H new ATOM 0 HG13 VAL A 24 -3.753 0.734 -3.055 1.00 0.35 H new ATOM 0 HG21 VAL A 24 -6.710 0.551 -2.280 1.00 0.29 H new ATOM 0 HG22 VAL A 24 -5.828 -0.594 -3.318 1.00 0.29 H new ATOM 0 HG23 VAL A 24 -6.701 -1.184 -1.884 1.00 0.29 H new ATOM 371 N VAL A 25 -1.618 -1.345 -1.319 1.00 0.20 N ATOM 372 CA VAL A 25 -0.313 -1.159 -0.606 1.00 0.18 C ATOM 373 C VAL A 25 0.214 0.260 -0.799 1.00 0.22 C ATOM 374 O VAL A 25 -0.103 0.918 -1.772 1.00 0.36 O ATOM 375 CB VAL A 25 0.714 -2.143 -1.163 1.00 0.16 C ATOM 376 CG1 VAL A 25 2.071 -1.880 -0.504 1.00 0.26 C ATOM 377 CG2 VAL A 25 0.275 -3.571 -0.852 1.00 0.18 C ATOM 0 H VAL A 25 -1.546 -1.563 -2.313 1.00 0.20 H new ATOM 0 HA VAL A 25 -0.475 -1.337 0.457 1.00 0.18 H new ATOM 0 HB VAL A 25 0.794 -2.013 -2.242 1.00 0.16 H new ATOM 0 HG11 VAL A 25 2.808 -2.580 -0.898 1.00 0.26 H new ATOM 0 HG12 VAL A 25 2.388 -0.859 -0.719 1.00 0.26 H new ATOM 0 HG13 VAL A 25 1.984 -2.013 0.574 1.00 0.26 H new ATOM 0 HG21 VAL A 25 1.009 -4.272 -1.250 1.00 0.18 H new ATOM 0 HG22 VAL A 25 0.197 -3.701 0.227 1.00 0.18 H new ATOM 0 HG23 VAL A 25 -0.695 -3.762 -1.311 1.00 0.18 H new ATOM 387 N ASP A 26 1.008 0.694 0.143 1.00 0.15 N ATOM 388 CA ASP A 26 1.601 2.060 0.051 1.00 0.16 C ATOM 389 C ASP A 26 3.125 1.960 0.128 1.00 0.15 C ATOM 390 O ASP A 26 3.704 2.009 1.196 1.00 0.15 O ATOM 391 CB ASP A 26 1.087 2.907 1.211 1.00 0.19 C ATOM 392 CG ASP A 26 1.721 4.298 1.141 1.00 0.23 C ATOM 393 OD1 ASP A 26 1.861 4.773 0.025 1.00 1.09 O ATOM 394 OD2 ASP A 26 2.029 4.807 2.205 1.00 0.96 O ATOM 0 H ASP A 26 1.272 0.162 0.972 1.00 0.15 H new ATOM 0 HA ASP A 26 1.317 2.521 -0.895 1.00 0.16 H new ATOM 0 HB2 ASP A 26 0.001 2.987 1.165 1.00 0.19 H new ATOM 0 HB3 ASP A 26 1.331 2.431 2.160 1.00 0.19 H new ATOM 399 N PHE A 27 3.740 1.807 -1.008 1.00 0.15 N ATOM 400 CA PHE A 27 5.225 1.700 -1.031 1.00 0.15 C ATOM 401 C PHE A 27 5.853 3.087 -0.862 1.00 0.17 C ATOM 402 O PHE A 27 5.947 3.848 -1.804 1.00 0.22 O ATOM 403 CB PHE A 27 5.650 1.098 -2.367 1.00 0.14 C ATOM 404 CG PHE A 27 5.336 -0.401 -2.372 1.00 0.12 C ATOM 405 CD1 PHE A 27 6.213 -1.304 -1.792 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.170 -0.877 -2.958 1.00 0.12 C ATOM 407 CE1 PHE A 27 5.933 -2.656 -1.803 1.00 0.10 C ATOM 408 CE2 PHE A 27 3.898 -2.233 -2.963 1.00 0.11 C ATOM 409 CZ PHE A 27 4.778 -3.117 -2.386 1.00 0.10 C ATOM 0 H PHE A 27 3.283 1.751 -1.918 1.00 0.15 H new ATOM 0 HA PHE A 27 5.562 1.064 -0.213 1.00 0.15 H new ATOM 0 HB2 PHE A 27 5.126 1.593 -3.185 1.00 0.14 H new ATOM 0 HB3 PHE A 27 6.716 1.258 -2.528 1.00 0.14 H new ATOM 0 HD1 PHE A 27 7.121 -0.948 -1.329 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.474 -0.186 -3.411 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.624 -3.353 -1.352 1.00 0.10 H new ATOM 0 HE2 PHE A 27 2.991 -2.598 -3.422 1.00 0.11 H new ATOM 0 HZ PHE A 27 4.561 -4.175 -2.391 1.00 0.10 H new ATOM 419 N SER A 28 6.269 3.386 0.340 1.00 0.15 N ATOM 420 CA SER A 28 6.889 4.720 0.589 1.00 0.18 C ATOM 421 C SER A 28 7.971 4.609 1.669 1.00 0.18 C ATOM 422 O SER A 28 8.212 3.544 2.200 1.00 0.21 O ATOM 423 CB SER A 28 5.808 5.695 1.052 1.00 0.19 C ATOM 424 OG SER A 28 5.544 5.309 2.393 1.00 1.02 O ATOM 0 H SER A 28 6.208 2.772 1.152 1.00 0.15 H new ATOM 0 HA SER A 28 7.346 5.080 -0.333 1.00 0.18 H new ATOM 0 HB2 SER A 28 6.152 6.728 0.995 1.00 0.19 H new ATOM 0 HB3 SER A 28 4.914 5.622 0.433 1.00 0.19 H new ATOM 0 HG SER A 28 4.854 5.892 2.771 1.00 1.02 H new ATOM 430 N ALA A 29 8.596 5.718 1.968 1.00 0.19 N ATOM 431 CA ALA A 29 9.668 5.708 3.012 1.00 0.20 C ATOM 432 C ALA A 29 9.137 6.310 4.318 1.00 0.29 C ATOM 433 O ALA A 29 8.430 7.296 4.305 1.00 0.34 O ATOM 434 CB ALA A 29 10.854 6.532 2.514 1.00 0.23 C ATOM 0 H ALA A 29 8.414 6.625 1.539 1.00 0.19 H new ATOM 0 HA ALA A 29 9.981 4.681 3.200 1.00 0.20 H new ATOM 0 HB1 ALA A 29 11.641 6.530 3.269 1.00 0.23 H new ATOM 0 HB2 ALA A 29 11.236 6.098 1.590 1.00 0.23 H new ATOM 0 HB3 ALA A 29 10.532 7.557 2.327 1.00 0.23 H new ATOM 440 N THR A 30 9.491 5.703 5.419 1.00 0.36 N ATOM 441 CA THR A 30 9.008 6.230 6.729 1.00 0.48 C ATOM 442 C THR A 30 10.032 7.205 7.319 1.00 0.55 C ATOM 443 O THR A 30 9.688 8.282 7.763 1.00 0.90 O ATOM 444 CB THR A 30 8.801 5.060 7.697 1.00 0.53 C ATOM 445 OG1 THR A 30 8.396 5.668 8.920 1.00 0.77 O ATOM 446 CG2 THR A 30 10.117 4.355 8.013 1.00 0.43 C ATOM 0 H THR A 30 10.086 4.876 5.469 1.00 0.36 H new ATOM 0 HA THR A 30 8.066 6.758 6.576 1.00 0.48 H new ATOM 0 HB THR A 30 8.099 4.343 7.270 1.00 0.53 H new ATOM 0 HG1 THR A 30 8.242 4.974 9.595 1.00 0.77 H new ATOM 0 HG21 THR A 30 9.932 3.531 8.702 1.00 0.43 H new ATOM 0 HG22 THR A 30 10.552 3.967 7.092 1.00 0.43 H new ATOM 0 HG23 THR A 30 10.808 5.063 8.471 1.00 0.43 H new ATOM 454 N TRP A 31 11.267 6.799 7.308 1.00 0.28 N ATOM 455 CA TRP A 31 12.343 7.675 7.857 1.00 0.31 C ATOM 456 C TRP A 31 12.282 9.068 7.217 1.00 0.31 C ATOM 457 O TRP A 31 12.334 10.072 7.900 1.00 0.34 O ATOM 458 CB TRP A 31 13.686 7.036 7.534 1.00 0.28 C ATOM 459 CG TRP A 31 13.752 6.788 6.026 1.00 0.23 C ATOM 460 CD1 TRP A 31 13.286 5.693 5.433 1.00 0.21 C ATOM 461 CD2 TRP A 31 14.250 7.633 5.136 1.00 0.22 C ATOM 462 NE1 TRP A 31 13.525 5.911 4.133 1.00 0.17 N ATOM 463 CE2 TRP A 31 14.131 7.113 3.860 1.00 0.17 C ATOM 464 CE3 TRP A 31 14.819 8.887 5.308 1.00 0.25 C ATOM 465 CZ2 TRP A 31 14.574 7.832 2.773 1.00 0.17 C ATOM 466 CZ3 TRP A 31 15.261 9.603 4.214 1.00 0.25 C ATOM 467 CH2 TRP A 31 15.140 9.074 2.949 1.00 0.21 C ATOM 0 H TRP A 31 11.582 5.900 6.944 1.00 0.28 H new ATOM 0 HA TRP A 31 12.212 7.782 8.934 1.00 0.31 H new ATOM 0 HB2 TRP A 31 14.501 7.688 7.847 1.00 0.28 H new ATOM 0 HB3 TRP A 31 13.801 6.098 8.078 1.00 0.28 H new ATOM 0 HD1 TRP A 31 12.824 4.831 5.891 1.00 0.21 H new ATOM 0 HE1 TRP A 31 13.277 5.240 3.406 1.00 0.17 H new ATOM 0 HE3 TRP A 31 14.916 9.303 6.300 1.00 0.25 H new ATOM 0 HZ2 TRP A 31 14.477 7.420 1.779 1.00 0.17 H new ATOM 0 HZ3 TRP A 31 15.702 10.579 4.351 1.00 0.25 H new ATOM 0 HH2 TRP A 31 15.489 9.634 2.094 1.00 0.21 H new ATOM 478 N CYS A 32 12.171 9.094 5.913 1.00 0.27 N ATOM 479 CA CYS A 32 12.116 10.407 5.204 1.00 0.28 C ATOM 480 C CYS A 32 11.049 11.306 5.835 1.00 0.32 C ATOM 481 O CYS A 32 10.280 10.869 6.668 1.00 0.37 O ATOM 482 CB CYS A 32 11.776 10.175 3.737 1.00 0.23 C ATOM 483 SG CYS A 32 11.066 11.569 2.826 1.00 0.52 S ATOM 0 H CYS A 32 12.117 8.270 5.314 1.00 0.27 H new ATOM 0 HA CYS A 32 13.087 10.896 5.287 1.00 0.28 H new ATOM 0 HB2 CYS A 32 12.686 9.863 3.224 1.00 0.23 H new ATOM 0 HB3 CYS A 32 11.076 9.341 3.679 1.00 0.23 H new ATOM 0 HG CYS A 32 10.070 11.152 2.102 1.00 0.52 H new ATOM 489 N GLY A 33 11.026 12.545 5.416 1.00 0.36 N ATOM 490 CA GLY A 33 10.019 13.498 5.976 1.00 0.39 C ATOM 491 C GLY A 33 8.860 13.723 4.988 1.00 0.37 C ATOM 492 O GLY A 33 7.758 13.263 5.206 1.00 0.35 O ATOM 0 H GLY A 33 11.656 12.937 4.716 1.00 0.36 H new ATOM 0 HA2 GLY A 33 9.629 13.109 6.916 1.00 0.39 H new ATOM 0 HA3 GLY A 33 10.500 14.450 6.200 1.00 0.39 H new ATOM 496 N PRO A 34 9.142 14.434 3.913 1.00 0.38 N ATOM 497 CA PRO A 34 8.129 14.735 2.889 1.00 0.37 C ATOM 498 C PRO A 34 7.384 13.469 2.448 1.00 0.36 C ATOM 499 O PRO A 34 6.271 13.543 1.965 1.00 0.41 O ATOM 500 CB PRO A 34 8.913 15.333 1.718 1.00 0.38 C ATOM 501 CG PRO A 34 10.378 15.558 2.208 1.00 0.39 C ATOM 502 CD PRO A 34 10.481 14.973 3.630 1.00 0.40 C ATOM 0 HA PRO A 34 7.368 15.416 3.269 1.00 0.37 H new ATOM 0 HB2 PRO A 34 8.894 14.662 0.860 1.00 0.38 H new ATOM 0 HB3 PRO A 34 8.466 16.274 1.397 1.00 0.38 H new ATOM 0 HG2 PRO A 34 11.086 15.069 1.539 1.00 0.39 H new ATOM 0 HG3 PRO A 34 10.623 16.620 2.211 1.00 0.39 H new ATOM 0 HD2 PRO A 34 11.241 14.193 3.683 1.00 0.40 H new ATOM 0 HD3 PRO A 34 10.760 15.739 4.354 1.00 0.40 H new ATOM 510 N CYS A 35 8.005 12.337 2.618 1.00 0.31 N ATOM 511 CA CYS A 35 7.328 11.073 2.208 1.00 0.30 C ATOM 512 C CYS A 35 6.275 10.673 3.247 1.00 0.28 C ATOM 513 O CYS A 35 5.180 10.278 2.899 1.00 0.34 O ATOM 514 CB CYS A 35 8.364 9.960 2.081 1.00 0.32 C ATOM 515 SG CYS A 35 9.523 10.057 0.693 1.00 0.43 S ATOM 0 H CYS A 35 8.938 12.230 3.017 1.00 0.31 H new ATOM 0 HA CYS A 35 6.836 11.231 1.248 1.00 0.30 H new ATOM 0 HB2 CYS A 35 8.944 9.933 3.003 1.00 0.32 H new ATOM 0 HB3 CYS A 35 7.832 9.011 2.011 1.00 0.32 H new ATOM 0 HG CYS A 35 10.692 10.424 1.128 1.00 0.43 H new ATOM 521 N LYS A 36 6.623 10.784 4.505 1.00 0.22 N ATOM 522 CA LYS A 36 5.647 10.410 5.562 1.00 0.21 C ATOM 523 C LYS A 36 4.674 11.574 5.795 1.00 0.20 C ATOM 524 O LYS A 36 3.738 11.465 6.549 1.00 0.20 O ATOM 525 CB LYS A 36 6.416 10.080 6.855 1.00 0.21 C ATOM 526 CG LYS A 36 5.513 9.280 7.844 1.00 0.33 C ATOM 527 CD LYS A 36 4.693 10.212 8.765 1.00 1.63 C ATOM 528 CE LYS A 36 4.811 9.713 10.211 1.00 1.71 C ATOM 529 NZ LYS A 36 6.239 9.650 10.636 1.00 0.56 N ATOM 0 H LYS A 36 7.529 11.113 4.838 1.00 0.22 H new ATOM 0 HA LYS A 36 5.073 9.536 5.254 1.00 0.21 H new ATOM 0 HB2 LYS A 36 7.307 9.499 6.616 1.00 0.21 H new ATOM 0 HB3 LYS A 36 6.755 11.002 7.328 1.00 0.21 H new ATOM 0 HG2 LYS A 36 4.835 8.641 7.279 1.00 0.33 H new ATOM 0 HG3 LYS A 36 6.135 8.625 8.453 1.00 0.33 H new ATOM 0 HD2 LYS A 36 5.060 11.235 8.689 1.00 1.63 H new ATOM 0 HD3 LYS A 36 3.648 10.224 8.455 1.00 1.63 H new ATOM 0 HE2 LYS A 36 4.258 10.377 10.876 1.00 1.71 H new ATOM 0 HE3 LYS A 36 4.357 8.726 10.298 1.00 1.71 H new ATOM 0 HZ1 LYS A 36 6.317 9.931 11.634 1.00 0.56 H new ATOM 0 HZ2 LYS A 36 6.593 8.679 10.521 1.00 0.56 H new ATOM 0 HZ3 LYS A 36 6.805 10.296 10.049 1.00 0.56 H new ATOM 543 N MET A 37 4.921 12.673 5.144 1.00 0.22 N ATOM 544 CA MET A 37 3.993 13.826 5.307 1.00 0.21 C ATOM 545 C MET A 37 2.702 13.534 4.542 1.00 0.36 C ATOM 546 O MET A 37 1.689 14.173 4.747 1.00 0.51 O ATOM 547 CB MET A 37 4.646 15.088 4.752 1.00 0.15 C ATOM 548 CG MET A 37 4.254 16.280 5.628 1.00 0.26 C ATOM 549 SD MET A 37 2.488 16.602 5.854 1.00 1.92 S ATOM 550 CE MET A 37 2.623 18.377 6.184 1.00 1.71 C ATOM 0 H MET A 37 5.711 12.824 4.516 1.00 0.22 H new ATOM 0 HA MET A 37 3.769 13.976 6.363 1.00 0.21 H new ATOM 0 HB2 MET A 37 5.730 14.974 4.735 1.00 0.15 H new ATOM 0 HB3 MET A 37 4.327 15.256 3.723 1.00 0.15 H new ATOM 0 HG2 MET A 37 4.699 16.135 6.613 1.00 0.26 H new ATOM 0 HG3 MET A 37 4.708 17.175 5.202 1.00 0.26 H new ATOM 0 HE1 MET A 37 1.630 18.792 6.356 1.00 1.71 H new ATOM 0 HE2 MET A 37 3.241 18.537 7.067 1.00 1.71 H new ATOM 0 HE3 MET A 37 3.080 18.873 5.327 1.00 1.71 H new ATOM 560 N ILE A 38 2.778 12.562 3.672 1.00 0.34 N ATOM 561 CA ILE A 38 1.574 12.182 2.870 1.00 0.49 C ATOM 562 C ILE A 38 0.864 10.988 3.518 1.00 0.49 C ATOM 563 O ILE A 38 -0.110 10.486 2.997 1.00 0.52 O ATOM 564 CB ILE A 38 2.022 11.800 1.456 1.00 0.57 C ATOM 565 CG1 ILE A 38 2.705 13.014 0.774 1.00 0.77 C ATOM 566 CG2 ILE A 38 0.808 11.329 0.644 1.00 0.67 C ATOM 567 CD1 ILE A 38 1.666 14.006 0.209 1.00 0.63 C ATOM 0 H ILE A 38 3.618 12.015 3.481 1.00 0.34 H new ATOM 0 HA ILE A 38 0.884 13.025 2.831 1.00 0.49 H new ATOM 0 HB ILE A 38 2.744 10.985 1.507 1.00 0.57 H new ATOM 0 HG12 ILE A 38 3.343 13.526 1.495 1.00 0.77 H new ATOM 0 HG13 ILE A 38 3.351 12.664 -0.032 1.00 0.77 H new ATOM 0 HG21 ILE A 38 1.127 11.057 -0.362 1.00 0.67 H new ATOM 0 HG22 ILE A 38 0.360 10.462 1.129 1.00 0.67 H new ATOM 0 HG23 ILE A 38 0.074 12.133 0.587 1.00 0.67 H new ATOM 0 HD11 ILE A 38 2.181 14.844 -0.261 1.00 0.63 H new ATOM 0 HD12 ILE A 38 1.045 13.500 -0.530 1.00 0.63 H new ATOM 0 HD13 ILE A 38 1.037 14.375 1.019 1.00 0.63 H new ATOM 579 N LYS A 39 1.373 10.551 4.636 1.00 0.49 N ATOM 580 CA LYS A 39 0.727 9.404 5.329 1.00 0.50 C ATOM 581 C LYS A 39 -0.674 9.789 5.871 1.00 0.54 C ATOM 582 O LYS A 39 -1.616 9.045 5.711 1.00 0.60 O ATOM 583 CB LYS A 39 1.609 8.941 6.498 1.00 0.47 C ATOM 584 CG LYS A 39 2.003 7.465 6.316 1.00 1.05 C ATOM 585 CD LYS A 39 2.508 6.921 7.652 1.00 0.91 C ATOM 586 CE LYS A 39 3.599 5.881 7.396 1.00 1.63 C ATOM 587 NZ LYS A 39 4.008 5.237 8.673 1.00 1.35 N ATOM 0 H LYS A 39 2.199 10.934 5.095 1.00 0.49 H new ATOM 0 HA LYS A 39 0.609 8.598 4.605 1.00 0.50 H new ATOM 0 HB2 LYS A 39 2.505 9.560 6.554 1.00 0.47 H new ATOM 0 HB3 LYS A 39 1.074 9.069 7.439 1.00 0.47 H new ATOM 0 HG2 LYS A 39 1.146 6.885 5.972 1.00 1.05 H new ATOM 0 HG3 LYS A 39 2.777 7.372 5.554 1.00 1.05 H new ATOM 0 HD2 LYS A 39 2.901 7.734 8.263 1.00 0.91 H new ATOM 0 HD3 LYS A 39 1.686 6.472 8.209 1.00 0.91 H new ATOM 0 HE2 LYS A 39 3.235 5.125 6.700 1.00 1.63 H new ATOM 0 HE3 LYS A 39 4.461 6.356 6.928 1.00 1.63 H new ATOM 0 HZ1 LYS A 39 4.969 5.544 8.924 1.00 1.35 H new ATOM 0 HZ2 LYS A 39 3.348 5.513 9.428 1.00 1.35 H new ATOM 0 HZ3 LYS A 39 3.993 4.203 8.561 1.00 1.35 H new ATOM 601 N PRO A 40 -0.790 10.955 6.502 1.00 0.54 N ATOM 602 CA PRO A 40 -2.077 11.389 7.066 1.00 0.59 C ATOM 603 C PRO A 40 -3.175 11.389 5.994 1.00 0.64 C ATOM 604 O PRO A 40 -4.325 11.654 6.280 1.00 0.69 O ATOM 605 CB PRO A 40 -1.825 12.796 7.613 1.00 0.64 C ATOM 606 CG PRO A 40 -0.286 13.032 7.562 1.00 0.53 C ATOM 607 CD PRO A 40 0.315 11.915 6.691 1.00 0.52 C ATOM 0 HA PRO A 40 -2.427 10.715 7.848 1.00 0.59 H new ATOM 0 HB2 PRO A 40 -2.350 13.542 7.017 1.00 0.64 H new ATOM 0 HB3 PRO A 40 -2.196 12.886 8.634 1.00 0.64 H new ATOM 0 HG2 PRO A 40 -0.060 14.012 7.141 1.00 0.53 H new ATOM 0 HG3 PRO A 40 0.140 13.010 8.565 1.00 0.53 H new ATOM 0 HD2 PRO A 40 0.670 12.304 5.737 1.00 0.52 H new ATOM 0 HD3 PRO A 40 1.168 11.446 7.181 1.00 0.52 H new ATOM 615 N PHE A 41 -2.788 11.100 4.781 1.00 0.63 N ATOM 616 CA PHE A 41 -3.793 11.040 3.678 1.00 0.66 C ATOM 617 C PHE A 41 -4.167 9.574 3.421 1.00 0.58 C ATOM 618 O PHE A 41 -5.326 9.237 3.292 1.00 0.67 O ATOM 619 CB PHE A 41 -3.193 11.653 2.413 1.00 0.70 C ATOM 620 CG PHE A 41 -3.189 13.178 2.535 1.00 0.82 C ATOM 621 CD1 PHE A 41 -2.212 13.825 3.271 1.00 0.75 C ATOM 622 CD2 PHE A 41 -4.167 13.930 1.906 1.00 1.01 C ATOM 623 CE1 PHE A 41 -2.215 15.202 3.376 1.00 0.87 C ATOM 624 CE2 PHE A 41 -4.167 15.306 2.013 1.00 1.12 C ATOM 625 CZ PHE A 41 -3.192 15.941 2.747 1.00 1.05 C ATOM 0 H PHE A 41 -1.826 10.904 4.506 1.00 0.63 H new ATOM 0 HA PHE A 41 -4.686 11.599 3.957 1.00 0.66 H new ATOM 0 HB2 PHE A 41 -2.177 11.287 2.266 1.00 0.70 H new ATOM 0 HB3 PHE A 41 -3.771 11.349 1.540 1.00 0.70 H new ATOM 0 HD1 PHE A 41 -1.443 13.250 3.766 1.00 0.75 H new ATOM 0 HD2 PHE A 41 -4.935 13.437 1.328 1.00 1.01 H new ATOM 0 HE1 PHE A 41 -1.450 15.700 3.953 1.00 0.87 H new ATOM 0 HE2 PHE A 41 -4.934 15.885 1.520 1.00 1.12 H new ATOM 0 HZ PHE A 41 -3.193 17.018 2.830 1.00 1.05 H new ATOM 635 N PHE A 42 -3.163 8.740 3.352 1.00 0.43 N ATOM 636 CA PHE A 42 -3.417 7.283 3.128 1.00 0.34 C ATOM 637 C PHE A 42 -3.690 6.606 4.477 1.00 0.37 C ATOM 638 O PHE A 42 -4.664 5.899 4.644 1.00 0.73 O ATOM 639 CB PHE A 42 -2.172 6.664 2.485 1.00 0.23 C ATOM 640 CG PHE A 42 -2.351 5.148 2.354 1.00 0.15 C ATOM 641 CD1 PHE A 42 -3.250 4.624 1.442 1.00 0.15 C ATOM 642 CD2 PHE A 42 -1.615 4.278 3.148 1.00 0.12 C ATOM 643 CE1 PHE A 42 -3.409 3.259 1.323 1.00 0.17 C ATOM 644 CE2 PHE A 42 -1.780 2.914 3.026 1.00 0.15 C ATOM 645 CZ PHE A 42 -2.676 2.406 2.116 1.00 0.19 C ATOM 0 H PHE A 42 -2.181 9.002 3.440 1.00 0.43 H new ATOM 0 HA PHE A 42 -4.279 7.145 2.475 1.00 0.34 H new ATOM 0 HB2 PHE A 42 -2.002 7.105 1.503 1.00 0.23 H new ATOM 0 HB3 PHE A 42 -1.292 6.884 3.090 1.00 0.23 H new ATOM 0 HD1 PHE A 42 -3.831 5.288 0.819 1.00 0.15 H new ATOM 0 HD2 PHE A 42 -0.910 4.672 3.865 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -4.110 2.859 0.606 1.00 0.17 H new ATOM 0 HE2 PHE A 42 -1.204 2.244 3.647 1.00 0.15 H new ATOM 0 HZ PHE A 42 -2.805 1.338 2.023 1.00 0.19 H new ATOM 655 N HIS A 43 -2.807 6.846 5.405 1.00 0.41 N ATOM 656 CA HIS A 43 -2.954 6.251 6.767 1.00 0.35 C ATOM 657 C HIS A 43 -4.293 6.654 7.400 1.00 0.42 C ATOM 658 O HIS A 43 -4.685 6.119 8.417 1.00 0.42 O ATOM 659 CB HIS A 43 -1.812 6.771 7.638 1.00 0.37 C ATOM 660 CG HIS A 43 -1.681 5.916 8.895 1.00 0.33 C ATOM 661 ND1 HIS A 43 -2.466 4.997 9.225 1.00 0.34 N ATOM 662 CD2 HIS A 43 -0.723 5.957 9.892 1.00 0.43 C ATOM 663 CE1 HIS A 43 -2.108 4.456 10.319 1.00 0.34 C ATOM 664 NE2 HIS A 43 -1.003 5.007 10.819 1.00 0.45 N ATOM 0 H HIS A 43 -1.982 7.433 5.280 1.00 0.41 H new ATOM 0 HA HIS A 43 -2.925 5.164 6.690 1.00 0.35 H new ATOM 0 HB2 HIS A 43 -0.878 6.752 7.076 1.00 0.37 H new ATOM 0 HB3 HIS A 43 -1.997 7.809 7.913 1.00 0.37 H new ATOM 0 HD1 HIS A 43 -3.286 4.719 8.686 1.00 0.34 H new ATOM 0 HD2 HIS A 43 0.115 6.637 9.927 1.00 0.43 H new ATOM 0 HE1 HIS A 43 -2.640 3.642 10.789 1.00 0.34 H new ATOM 672 N SER A 44 -4.967 7.591 6.788 1.00 0.53 N ATOM 673 CA SER A 44 -6.273 8.042 7.361 1.00 0.58 C ATOM 674 C SER A 44 -7.415 7.135 6.893 1.00 0.48 C ATOM 675 O SER A 44 -8.502 7.174 7.434 1.00 0.50 O ATOM 676 CB SER A 44 -6.545 9.477 6.920 1.00 0.71 C ATOM 677 OG SER A 44 -6.460 9.429 5.504 1.00 2.13 O ATOM 0 H SER A 44 -4.677 8.059 5.929 1.00 0.53 H new ATOM 0 HA SER A 44 -6.217 7.990 8.448 1.00 0.58 H new ATOM 0 HB2 SER A 44 -7.528 9.815 7.249 1.00 0.71 H new ATOM 0 HB3 SER A 44 -5.814 10.168 7.340 1.00 0.71 H new ATOM 0 HG SER A 44 -6.149 10.294 5.165 1.00 2.13 H new ATOM 683 N LEU A 45 -7.148 6.341 5.901 1.00 0.40 N ATOM 684 CA LEU A 45 -8.211 5.423 5.390 1.00 0.31 C ATOM 685 C LEU A 45 -8.345 4.212 6.315 1.00 0.25 C ATOM 686 O LEU A 45 -9.227 3.393 6.149 1.00 0.24 O ATOM 687 CB LEU A 45 -7.831 4.948 3.991 1.00 0.33 C ATOM 688 CG LEU A 45 -7.544 6.162 3.101 1.00 0.45 C ATOM 689 CD1 LEU A 45 -7.174 5.678 1.697 1.00 0.60 C ATOM 690 CD2 LEU A 45 -8.799 7.035 3.015 1.00 0.41 C ATOM 0 H LEU A 45 -6.250 6.283 5.421 1.00 0.40 H new ATOM 0 HA LEU A 45 -9.162 5.955 5.358 1.00 0.31 H new ATOM 0 HB2 LEU A 45 -6.953 4.304 4.040 1.00 0.33 H new ATOM 0 HB3 LEU A 45 -8.639 4.354 3.565 1.00 0.33 H new ATOM 0 HG LEU A 45 -6.722 6.740 3.523 1.00 0.45 H new ATOM 0 HD11 LEU A 45 -6.969 6.537 1.058 1.00 0.60 H new ATOM 0 HD12 LEU A 45 -6.287 5.046 1.752 1.00 0.60 H new ATOM 0 HD13 LEU A 45 -8.002 5.105 1.279 1.00 0.60 H new ATOM 0 HD21 LEU A 45 -8.598 7.900 2.382 1.00 0.41 H new ATOM 0 HD22 LEU A 45 -9.617 6.455 2.588 1.00 0.41 H new ATOM 0 HD23 LEU A 45 -9.076 7.373 4.014 1.00 0.41 H new ATOM 702 N SER A 46 -7.464 4.129 7.267 1.00 0.26 N ATOM 703 CA SER A 46 -7.512 2.979 8.215 1.00 0.27 C ATOM 704 C SER A 46 -8.765 3.049 9.095 1.00 0.38 C ATOM 705 O SER A 46 -9.249 2.037 9.563 1.00 0.51 O ATOM 706 CB SER A 46 -6.273 3.019 9.101 1.00 0.47 C ATOM 707 OG SER A 46 -5.792 1.689 9.070 1.00 1.37 O ATOM 0 H SER A 46 -6.715 4.802 7.432 1.00 0.26 H new ATOM 0 HA SER A 46 -7.543 2.052 7.643 1.00 0.27 H new ATOM 0 HB2 SER A 46 -5.532 3.721 8.720 1.00 0.47 H new ATOM 0 HB3 SER A 46 -6.517 3.332 10.116 1.00 0.47 H new ATOM 0 HG SER A 46 -4.976 1.623 9.609 1.00 1.37 H new ATOM 713 N GLU A 47 -9.261 4.239 9.302 1.00 0.44 N ATOM 714 CA GLU A 47 -10.474 4.391 10.162 1.00 0.60 C ATOM 715 C GLU A 47 -11.732 4.574 9.304 1.00 0.53 C ATOM 716 O GLU A 47 -12.834 4.351 9.765 1.00 0.97 O ATOM 717 CB GLU A 47 -10.291 5.610 11.060 1.00 0.77 C ATOM 718 CG GLU A 47 -8.937 5.509 11.767 1.00 1.34 C ATOM 719 CD GLU A 47 -8.916 6.463 12.961 1.00 2.03 C ATOM 720 OE1 GLU A 47 -8.831 7.652 12.702 1.00 3.09 O ATOM 721 OE2 GLU A 47 -8.985 5.949 14.066 1.00 1.74 O ATOM 0 H GLU A 47 -8.885 5.106 8.918 1.00 0.44 H new ATOM 0 HA GLU A 47 -10.597 3.491 10.764 1.00 0.60 H new ATOM 0 HB2 GLU A 47 -10.340 6.524 10.468 1.00 0.77 H new ATOM 0 HB3 GLU A 47 -11.096 5.662 11.793 1.00 0.77 H new ATOM 0 HG2 GLU A 47 -8.764 4.486 12.102 1.00 1.34 H new ATOM 0 HG3 GLU A 47 -8.133 5.758 11.074 1.00 1.34 H new ATOM 728 N LYS A 48 -11.545 4.972 8.077 1.00 0.30 N ATOM 729 CA LYS A 48 -12.730 5.175 7.191 1.00 0.30 C ATOM 730 C LYS A 48 -13.205 3.832 6.619 1.00 0.43 C ATOM 731 O LYS A 48 -14.230 3.316 7.015 1.00 0.71 O ATOM 732 CB LYS A 48 -12.341 6.119 6.048 1.00 0.30 C ATOM 733 CG LYS A 48 -13.599 6.556 5.276 1.00 0.81 C ATOM 734 CD LYS A 48 -13.451 8.025 4.866 1.00 0.97 C ATOM 735 CE LYS A 48 -14.706 8.463 4.109 1.00 1.30 C ATOM 736 NZ LYS A 48 -14.429 9.688 3.307 1.00 1.90 N ATOM 0 H LYS A 48 -10.638 5.164 7.652 1.00 0.30 H new ATOM 0 HA LYS A 48 -13.544 5.611 7.770 1.00 0.30 H new ATOM 0 HB2 LYS A 48 -11.827 6.993 6.446 1.00 0.30 H new ATOM 0 HB3 LYS A 48 -11.645 5.620 5.374 1.00 0.30 H new ATOM 0 HG2 LYS A 48 -13.734 5.931 4.393 1.00 0.81 H new ATOM 0 HG3 LYS A 48 -14.485 6.426 5.897 1.00 0.81 H new ATOM 0 HD2 LYS A 48 -13.307 8.649 5.748 1.00 0.97 H new ATOM 0 HD3 LYS A 48 -12.569 8.153 4.238 1.00 0.97 H new ATOM 0 HE2 LYS A 48 -15.042 7.660 3.453 1.00 1.30 H new ATOM 0 HE3 LYS A 48 -15.514 8.657 4.814 1.00 1.30 H new ATOM 0 HZ1 LYS A 48 -15.291 9.973 2.799 1.00 1.90 H new ATOM 0 HZ2 LYS A 48 -14.130 10.457 3.940 1.00 1.90 H new ATOM 0 HZ3 LYS A 48 -13.672 9.490 2.621 1.00 1.90 H new ATOM 750 N TYR A 49 -12.448 3.295 5.700 1.00 0.33 N ATOM 751 CA TYR A 49 -12.844 1.987 5.097 1.00 0.48 C ATOM 752 C TYR A 49 -12.431 0.833 6.017 1.00 0.44 C ATOM 753 O TYR A 49 -11.258 0.555 6.177 1.00 0.45 O ATOM 754 CB TYR A 49 -12.151 1.826 3.748 1.00 0.59 C ATOM 755 CG TYR A 49 -12.751 2.814 2.745 1.00 0.52 C ATOM 756 CD1 TYR A 49 -13.891 2.490 2.039 1.00 0.52 C ATOM 757 CD2 TYR A 49 -12.157 4.040 2.531 1.00 0.51 C ATOM 758 CE1 TYR A 49 -14.431 3.381 1.134 1.00 0.50 C ATOM 759 CE2 TYR A 49 -12.697 4.932 1.626 1.00 0.46 C ATOM 760 CZ TYR A 49 -13.837 4.609 0.920 1.00 0.45 C ATOM 761 OH TYR A 49 -14.375 5.498 0.014 1.00 0.46 O ATOM 0 H TYR A 49 -11.582 3.699 5.343 1.00 0.33 H new ATOM 0 HA TYR A 49 -13.926 1.968 4.966 1.00 0.48 H new ATOM 0 HB2 TYR A 49 -11.081 2.003 3.854 1.00 0.59 H new ATOM 0 HB3 TYR A 49 -12.271 0.805 3.385 1.00 0.59 H new ATOM 0 HD1 TYR A 49 -14.364 1.532 2.196 1.00 0.52 H new ATOM 0 HD2 TYR A 49 -11.263 4.304 3.075 1.00 0.51 H new ATOM 0 HE1 TYR A 49 -15.325 3.116 0.589 1.00 0.50 H new ATOM 0 HE2 TYR A 49 -12.223 5.890 1.470 1.00 0.46 H new ATOM 0 HH TYR A 49 -13.830 6.312 -0.009 1.00 0.46 H new ATOM 771 N SER A 50 -13.401 0.185 6.601 1.00 0.51 N ATOM 772 CA SER A 50 -13.077 -0.953 7.512 1.00 0.50 C ATOM 773 C SER A 50 -13.155 -2.281 6.752 1.00 0.61 C ATOM 774 O SER A 50 -12.693 -3.299 7.227 1.00 0.67 O ATOM 775 CB SER A 50 -14.073 -0.968 8.669 1.00 0.53 C ATOM 776 OG SER A 50 -15.343 -0.920 8.034 1.00 0.40 O ATOM 0 H SER A 50 -14.394 0.390 6.490 1.00 0.51 H new ATOM 0 HA SER A 50 -12.064 -0.827 7.895 1.00 0.50 H new ATOM 0 HB2 SER A 50 -13.965 -1.867 9.276 1.00 0.53 H new ATOM 0 HB3 SER A 50 -13.926 -0.115 9.332 1.00 0.53 H new ATOM 0 HG SER A 50 -16.049 -0.928 8.714 1.00 0.40 H new ATOM 782 N ASN A 51 -13.739 -2.241 5.590 1.00 0.69 N ATOM 783 CA ASN A 51 -13.861 -3.494 4.786 1.00 0.80 C ATOM 784 C ASN A 51 -12.652 -3.651 3.859 1.00 0.75 C ATOM 785 O ASN A 51 -12.376 -4.730 3.373 1.00 1.25 O ATOM 786 CB ASN A 51 -15.139 -3.429 3.950 1.00 0.93 C ATOM 787 CG ASN A 51 -15.463 -4.826 3.416 1.00 1.08 C ATOM 788 OD1 ASN A 51 -16.155 -5.599 4.050 1.00 1.80 O ATOM 789 ND2 ASN A 51 -14.986 -5.188 2.258 1.00 1.32 N ATOM 0 H ASN A 51 -14.135 -1.405 5.161 1.00 0.69 H new ATOM 0 HA ASN A 51 -13.899 -4.349 5.460 1.00 0.80 H new ATOM 0 HB2 ASN A 51 -15.966 -3.058 4.556 1.00 0.93 H new ATOM 0 HB3 ASN A 51 -15.011 -2.731 3.123 1.00 0.93 H new ATOM 0 HD21 ASN A 51 -15.194 -6.116 1.888 1.00 1.32 H new ATOM 0 HD22 ASN A 51 -14.405 -4.544 1.722 1.00 1.32 H new ATOM 796 N VAL A 52 -11.956 -2.572 3.634 1.00 0.23 N ATOM 797 CA VAL A 52 -10.762 -2.644 2.742 1.00 0.16 C ATOM 798 C VAL A 52 -9.497 -2.847 3.581 1.00 0.17 C ATOM 799 O VAL A 52 -9.423 -2.397 4.707 1.00 0.23 O ATOM 800 CB VAL A 52 -10.646 -1.341 1.954 1.00 0.21 C ATOM 801 CG1 VAL A 52 -9.430 -1.411 1.030 1.00 0.26 C ATOM 802 CG2 VAL A 52 -11.909 -1.148 1.111 1.00 0.17 C ATOM 0 H VAL A 52 -12.158 -1.651 4.024 1.00 0.23 H new ATOM 0 HA VAL A 52 -10.873 -3.483 2.055 1.00 0.16 H new ATOM 0 HB VAL A 52 -10.532 -0.506 2.645 1.00 0.21 H new ATOM 0 HG11 VAL A 52 -9.347 -0.481 0.467 1.00 0.26 H new ATOM 0 HG12 VAL A 52 -8.529 -1.557 1.625 1.00 0.26 H new ATOM 0 HG13 VAL A 52 -9.547 -2.245 0.338 1.00 0.26 H new ATOM 0 HG21 VAL A 52 -11.831 -0.219 0.546 1.00 0.17 H new ATOM 0 HG22 VAL A 52 -12.017 -1.984 0.420 1.00 0.17 H new ATOM 0 HG23 VAL A 52 -12.780 -1.103 1.765 1.00 0.17 H new ATOM 812 N ILE A 53 -8.530 -3.519 3.012 1.00 0.12 N ATOM 813 CA ILE A 53 -7.265 -3.758 3.764 1.00 0.14 C ATOM 814 C ILE A 53 -6.197 -2.767 3.306 1.00 0.11 C ATOM 815 O ILE A 53 -6.104 -2.453 2.134 1.00 0.12 O ATOM 816 CB ILE A 53 -6.792 -5.185 3.506 1.00 0.17 C ATOM 817 CG1 ILE A 53 -7.991 -6.132 3.617 1.00 0.63 C ATOM 818 CG2 ILE A 53 -5.742 -5.566 4.550 1.00 0.39 C ATOM 819 CD1 ILE A 53 -7.506 -7.573 3.483 1.00 1.49 C ATOM 0 H ILE A 53 -8.561 -3.908 2.070 1.00 0.12 H new ATOM 0 HA ILE A 53 -7.441 -3.620 4.831 1.00 0.14 H new ATOM 0 HB ILE A 53 -6.355 -5.258 2.510 1.00 0.17 H new ATOM 0 HG12 ILE A 53 -8.493 -5.992 4.574 1.00 0.63 H new ATOM 0 HG13 ILE A 53 -8.720 -5.907 2.839 1.00 0.63 H new ATOM 0 HG21 ILE A 53 -5.402 -6.586 4.369 1.00 0.39 H new ATOM 0 HG22 ILE A 53 -4.895 -4.883 4.481 1.00 0.39 H new ATOM 0 HG23 ILE A 53 -6.179 -5.501 5.546 1.00 0.39 H new ATOM 0 HD11 ILE A 53 -8.355 -8.252 3.561 1.00 1.49 H new ATOM 0 HD12 ILE A 53 -7.023 -7.706 2.515 1.00 1.49 H new ATOM 0 HD13 ILE A 53 -6.792 -7.792 4.277 1.00 1.49 H new ATOM 831 N PHE A 54 -5.415 -2.299 4.244 1.00 0.14 N ATOM 832 CA PHE A 54 -4.351 -1.312 3.896 1.00 0.16 C ATOM 833 C PHE A 54 -3.000 -1.753 4.461 1.00 0.15 C ATOM 834 O PHE A 54 -2.900 -2.142 5.608 1.00 0.14 O ATOM 835 CB PHE A 54 -4.730 0.038 4.496 1.00 0.24 C ATOM 836 CG PHE A 54 -6.046 0.513 3.875 1.00 0.24 C ATOM 837 CD1 PHE A 54 -6.051 1.229 2.690 1.00 0.24 C ATOM 838 CD2 PHE A 54 -7.251 0.230 4.493 1.00 0.26 C ATOM 839 CE1 PHE A 54 -7.240 1.655 2.136 1.00 0.24 C ATOM 840 CE2 PHE A 54 -8.438 0.657 3.937 1.00 0.26 C ATOM 841 CZ PHE A 54 -8.432 1.369 2.759 1.00 0.24 C ATOM 0 H PHE A 54 -5.467 -2.556 5.230 1.00 0.14 H new ATOM 0 HA PHE A 54 -4.266 -1.242 2.812 1.00 0.16 H new ATOM 0 HB2 PHE A 54 -4.834 -0.048 5.578 1.00 0.24 H new ATOM 0 HB3 PHE A 54 -3.942 0.767 4.309 1.00 0.24 H new ATOM 0 HD1 PHE A 54 -5.118 1.455 2.196 1.00 0.24 H new ATOM 0 HD2 PHE A 54 -7.262 -0.329 5.417 1.00 0.26 H new ATOM 0 HE1 PHE A 54 -7.235 2.214 1.212 1.00 0.24 H new ATOM 0 HE2 PHE A 54 -9.374 0.433 4.426 1.00 0.26 H new ATOM 0 HZ PHE A 54 -9.363 1.703 2.324 1.00 0.24 H new ATOM 851 N LEU A 55 -1.993 -1.678 3.632 1.00 0.14 N ATOM 852 CA LEU A 55 -0.622 -2.070 4.079 1.00 0.11 C ATOM 853 C LEU A 55 0.355 -0.920 3.808 1.00 0.10 C ATOM 854 O LEU A 55 0.099 -0.063 2.983 1.00 0.16 O ATOM 855 CB LEU A 55 -0.163 -3.316 3.310 1.00 0.16 C ATOM 856 CG LEU A 55 -1.367 -4.241 3.044 1.00 0.36 C ATOM 857 CD1 LEU A 55 -2.162 -3.745 1.834 1.00 0.52 C ATOM 858 CD2 LEU A 55 -0.858 -5.648 2.739 1.00 0.38 C ATOM 0 H LEU A 55 -2.059 -1.362 2.664 1.00 0.14 H new ATOM 0 HA LEU A 55 -0.643 -2.289 5.147 1.00 0.11 H new ATOM 0 HB2 LEU A 55 0.297 -3.023 2.366 1.00 0.16 H new ATOM 0 HB3 LEU A 55 0.596 -3.848 3.883 1.00 0.16 H new ATOM 0 HG LEU A 55 -2.008 -4.244 3.925 1.00 0.36 H new ATOM 0 HD11 LEU A 55 -3.009 -4.408 1.658 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -2.525 -2.735 2.026 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -1.519 -3.738 0.954 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -1.705 -6.308 2.550 1.00 0.38 H new ATOM 0 HD22 LEU A 55 -0.216 -5.620 1.859 1.00 0.38 H new ATOM 0 HD23 LEU A 55 -0.290 -6.022 3.591 1.00 0.38 H new ATOM 870 N GLU A 56 1.455 -0.933 4.508 1.00 0.14 N ATOM 871 CA GLU A 56 2.472 0.148 4.321 1.00 0.15 C ATOM 872 C GLU A 56 3.873 -0.471 4.260 1.00 0.15 C ATOM 873 O GLU A 56 4.382 -0.953 5.252 1.00 0.19 O ATOM 874 CB GLU A 56 2.394 1.112 5.504 1.00 0.21 C ATOM 875 CG GLU A 56 3.318 2.307 5.249 1.00 0.27 C ATOM 876 CD GLU A 56 4.246 2.495 6.452 1.00 0.88 C ATOM 877 OE1 GLU A 56 3.733 2.387 7.553 1.00 1.11 O ATOM 878 OE2 GLU A 56 5.415 2.736 6.201 1.00 1.85 O ATOM 0 H GLU A 56 1.696 -1.642 5.201 1.00 0.14 H new ATOM 0 HA GLU A 56 2.274 0.683 3.392 1.00 0.15 H new ATOM 0 HB2 GLU A 56 1.368 1.454 5.641 1.00 0.21 H new ATOM 0 HB3 GLU A 56 2.686 0.602 6.422 1.00 0.21 H new ATOM 0 HG2 GLU A 56 3.904 2.142 4.345 1.00 0.27 H new ATOM 0 HG3 GLU A 56 2.728 3.209 5.086 1.00 0.27 H new ATOM 885 N VAL A 57 4.469 -0.445 3.099 1.00 0.17 N ATOM 886 CA VAL A 57 5.834 -1.042 2.971 1.00 0.16 C ATOM 887 C VAL A 57 6.909 0.031 3.142 1.00 0.16 C ATOM 888 O VAL A 57 6.797 1.120 2.611 1.00 0.16 O ATOM 889 CB VAL A 57 5.986 -1.681 1.594 1.00 0.13 C ATOM 890 CG1 VAL A 57 7.464 -2.010 1.363 1.00 0.26 C ATOM 891 CG2 VAL A 57 5.164 -2.969 1.537 1.00 0.11 C ATOM 0 H VAL A 57 4.080 -0.044 2.245 1.00 0.17 H new ATOM 0 HA VAL A 57 5.955 -1.795 3.749 1.00 0.16 H new ATOM 0 HB VAL A 57 5.633 -0.994 0.825 1.00 0.13 H new ATOM 0 HG11 VAL A 57 7.586 -2.468 0.381 1.00 0.26 H new ATOM 0 HG12 VAL A 57 8.053 -1.094 1.412 1.00 0.26 H new ATOM 0 HG13 VAL A 57 7.807 -2.703 2.131 1.00 0.26 H new ATOM 0 HG21 VAL A 57 5.272 -3.426 0.553 1.00 0.11 H new ATOM 0 HG22 VAL A 57 5.519 -3.661 2.300 1.00 0.11 H new ATOM 0 HG23 VAL A 57 4.114 -2.739 1.717 1.00 0.11 H new ATOM 901 N ASP A 58 7.931 -0.302 3.881 1.00 0.17 N ATOM 902 CA ASP A 58 9.035 0.672 4.094 1.00 0.20 C ATOM 903 C ASP A 58 10.194 0.361 3.142 1.00 0.19 C ATOM 904 O ASP A 58 10.777 -0.704 3.200 1.00 0.22 O ATOM 905 CB ASP A 58 9.520 0.564 5.538 1.00 0.22 C ATOM 906 CG ASP A 58 10.482 1.716 5.840 1.00 0.25 C ATOM 907 OD1 ASP A 58 10.516 2.623 5.025 1.00 1.24 O ATOM 908 OD2 ASP A 58 11.130 1.623 6.870 1.00 1.20 O ATOM 0 H ASP A 58 8.048 -1.203 4.344 1.00 0.17 H new ATOM 0 HA ASP A 58 8.674 1.681 3.897 1.00 0.20 H new ATOM 0 HB2 ASP A 58 8.671 0.596 6.221 1.00 0.22 H new ATOM 0 HB3 ASP A 58 10.020 -0.392 5.695 1.00 0.22 H new ATOM 913 N VAL A 59 10.503 1.293 2.284 1.00 0.22 N ATOM 914 CA VAL A 59 11.620 1.058 1.321 1.00 0.25 C ATOM 915 C VAL A 59 12.974 1.168 2.036 1.00 0.28 C ATOM 916 O VAL A 59 13.975 1.485 1.423 1.00 0.35 O ATOM 917 CB VAL A 59 11.548 2.098 0.204 1.00 0.29 C ATOM 918 CG1 VAL A 59 10.344 1.793 -0.690 1.00 0.17 C ATOM 919 CG2 VAL A 59 11.381 3.489 0.818 1.00 0.38 C ATOM 0 H VAL A 59 10.038 2.198 2.206 1.00 0.22 H new ATOM 0 HA VAL A 59 11.524 0.056 0.903 1.00 0.25 H new ATOM 0 HB VAL A 59 12.463 2.066 -0.387 1.00 0.29 H new ATOM 0 HG11 VAL A 59 10.288 2.532 -1.489 1.00 0.17 H new ATOM 0 HG12 VAL A 59 10.455 0.799 -1.123 1.00 0.17 H new ATOM 0 HG13 VAL A 59 9.431 1.831 -0.096 1.00 0.17 H new ATOM 0 HG21 VAL A 59 11.329 4.234 0.024 1.00 0.38 H new ATOM 0 HG22 VAL A 59 10.463 3.520 1.405 1.00 0.38 H new ATOM 0 HG23 VAL A 59 12.232 3.706 1.464 1.00 0.38 H new ATOM 929 N ASP A 60 12.969 0.903 3.320 1.00 0.27 N ATOM 930 CA ASP A 60 14.242 0.980 4.104 1.00 0.33 C ATOM 931 C ASP A 60 14.439 -0.307 4.911 1.00 0.64 C ATOM 932 O ASP A 60 15.513 -0.874 4.928 1.00 0.82 O ATOM 933 CB ASP A 60 14.169 2.172 5.058 1.00 0.25 C ATOM 934 CG ASP A 60 15.518 2.343 5.762 1.00 0.28 C ATOM 935 OD1 ASP A 60 16.427 2.800 5.088 1.00 0.58 O ATOM 936 OD2 ASP A 60 15.564 2.007 6.933 1.00 1.19 O ATOM 0 H ASP A 60 12.143 0.638 3.857 1.00 0.27 H new ATOM 0 HA ASP A 60 15.082 1.102 3.420 1.00 0.33 H new ATOM 0 HB2 ASP A 60 13.916 3.078 4.507 1.00 0.25 H new ATOM 0 HB3 ASP A 60 13.380 2.016 5.793 1.00 0.25 H new ATOM 941 N ASP A 61 13.389 -0.740 5.560 1.00 0.74 N ATOM 942 CA ASP A 61 13.484 -1.992 6.372 1.00 1.03 C ATOM 943 C ASP A 61 12.839 -3.160 5.618 1.00 1.06 C ATOM 944 O ASP A 61 12.771 -4.265 6.119 1.00 1.53 O ATOM 945 CB ASP A 61 12.757 -1.782 7.701 1.00 1.20 C ATOM 946 CG ASP A 61 12.941 -3.020 8.580 1.00 1.41 C ATOM 947 OD1 ASP A 61 14.045 -3.539 8.559 1.00 1.09 O ATOM 948 OD2 ASP A 61 11.967 -3.377 9.224 1.00 2.63 O ATOM 0 H ASP A 61 12.476 -0.285 5.564 1.00 0.74 H new ATOM 0 HA ASP A 61 14.533 -2.224 6.554 1.00 1.03 H new ATOM 0 HB2 ASP A 61 13.150 -0.901 8.208 1.00 1.20 H new ATOM 0 HB3 ASP A 61 11.697 -1.602 7.524 1.00 1.20 H new ATOM 953 N CYS A 62 12.379 -2.888 4.426 1.00 0.58 N ATOM 954 CA CYS A 62 11.734 -3.970 3.623 1.00 0.58 C ATOM 955 C CYS A 62 12.068 -3.797 2.139 1.00 0.56 C ATOM 956 O CYS A 62 11.269 -4.113 1.280 1.00 0.54 O ATOM 957 CB CYS A 62 10.220 -3.900 3.817 1.00 0.57 C ATOM 958 SG CYS A 62 9.582 -4.172 5.488 1.00 0.86 S ATOM 0 H CYS A 62 12.420 -1.973 3.976 1.00 0.58 H new ATOM 0 HA CYS A 62 12.108 -4.938 3.957 1.00 0.58 H new ATOM 0 HB2 CYS A 62 9.883 -2.919 3.483 1.00 0.57 H new ATOM 0 HB3 CYS A 62 9.761 -4.636 3.157 1.00 0.57 H new ATOM 0 HG CYS A 62 10.130 -5.237 5.994 1.00 0.86 H new ATOM 964 N GLN A 63 13.245 -3.299 1.868 1.00 0.60 N ATOM 965 CA GLN A 63 13.643 -3.102 0.448 1.00 0.58 C ATOM 966 C GLN A 63 13.526 -4.420 -0.320 1.00 0.57 C ATOM 967 O GLN A 63 13.484 -4.433 -1.535 1.00 0.57 O ATOM 968 CB GLN A 63 15.084 -2.596 0.390 1.00 0.63 C ATOM 969 CG GLN A 63 15.858 -3.128 1.598 1.00 1.27 C ATOM 970 CD GLN A 63 17.359 -2.994 1.334 1.00 1.18 C ATOM 971 OE1 GLN A 63 17.844 -3.316 0.268 1.00 1.14 O ATOM 972 NE2 GLN A 63 18.129 -2.522 2.277 1.00 1.83 N ATOM 0 H GLN A 63 13.940 -3.023 2.562 1.00 0.60 H new ATOM 0 HA GLN A 63 12.980 -2.368 -0.011 1.00 0.58 H new ATOM 0 HB2 GLN A 63 15.560 -2.925 -0.534 1.00 0.63 H new ATOM 0 HB3 GLN A 63 15.099 -1.506 0.386 1.00 0.63 H new ATOM 0 HG2 GLN A 63 15.583 -2.572 2.494 1.00 1.27 H new ATOM 0 HG3 GLN A 63 15.600 -4.172 1.779 1.00 1.27 H new ATOM 0 HE21 GLN A 63 17.728 -2.250 3.174 1.00 1.83 H new ATOM 0 HE22 GLN A 63 19.132 -2.425 2.116 1.00 1.83 H new ATOM 981 N ASP A 64 13.476 -5.500 0.405 1.00 0.59 N ATOM 982 CA ASP A 64 13.356 -6.823 -0.261 1.00 0.65 C ATOM 983 C ASP A 64 12.023 -6.911 -0.997 1.00 0.58 C ATOM 984 O ASP A 64 11.903 -7.582 -2.003 1.00 0.79 O ATOM 985 CB ASP A 64 13.437 -7.927 0.792 1.00 0.73 C ATOM 986 CG ASP A 64 12.298 -7.750 1.800 1.00 0.59 C ATOM 987 OD1 ASP A 64 12.446 -6.873 2.634 1.00 1.01 O ATOM 988 OD2 ASP A 64 11.345 -8.501 1.676 1.00 1.08 O ATOM 0 H ASP A 64 13.513 -5.524 1.424 1.00 0.59 H new ATOM 0 HA ASP A 64 14.167 -6.944 -0.979 1.00 0.65 H new ATOM 0 HB2 ASP A 64 13.368 -8.905 0.316 1.00 0.73 H new ATOM 0 HB3 ASP A 64 14.399 -7.888 1.303 1.00 0.73 H new ATOM 993 N VAL A 65 11.054 -6.228 -0.474 1.00 0.44 N ATOM 994 CA VAL A 65 9.717 -6.238 -1.111 1.00 0.34 C ATOM 995 C VAL A 65 9.648 -5.174 -2.200 1.00 0.29 C ATOM 996 O VAL A 65 9.067 -5.382 -3.246 1.00 0.28 O ATOM 997 CB VAL A 65 8.665 -5.958 -0.056 1.00 0.27 C ATOM 998 CG1 VAL A 65 7.279 -6.271 -0.626 1.00 0.18 C ATOM 999 CG2 VAL A 65 8.923 -6.845 1.163 1.00 0.32 C ATOM 0 H VAL A 65 11.130 -5.661 0.370 1.00 0.44 H new ATOM 0 HA VAL A 65 9.538 -7.214 -1.562 1.00 0.34 H new ATOM 0 HB VAL A 65 8.711 -4.909 0.238 1.00 0.27 H new ATOM 0 HG11 VAL A 65 6.521 -6.070 0.131 1.00 0.18 H new ATOM 0 HG12 VAL A 65 7.095 -5.645 -1.499 1.00 0.18 H new ATOM 0 HG13 VAL A 65 7.233 -7.321 -0.916 1.00 0.18 H new ATOM 0 HG21 VAL A 65 8.168 -6.646 1.924 1.00 0.32 H new ATOM 0 HG22 VAL A 65 8.873 -7.893 0.867 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.912 -6.629 1.568 1.00 0.32 H new ATOM 1009 N ALA A 66 10.243 -4.053 -1.927 1.00 0.29 N ATOM 1010 CA ALA A 66 10.234 -2.957 -2.930 1.00 0.24 C ATOM 1011 C ALA A 66 10.885 -3.439 -4.221 1.00 0.23 C ATOM 1012 O ALA A 66 10.380 -3.212 -5.303 1.00 0.22 O ATOM 1013 CB ALA A 66 11.006 -1.760 -2.378 1.00 0.23 C ATOM 0 H ALA A 66 10.734 -3.847 -1.057 1.00 0.29 H new ATOM 0 HA ALA A 66 9.206 -2.661 -3.137 1.00 0.24 H new ATOM 0 HB1 ALA A 66 11.001 -0.954 -3.112 1.00 0.23 H new ATOM 0 HB2 ALA A 66 10.534 -1.416 -1.458 1.00 0.23 H new ATOM 0 HB3 ALA A 66 12.034 -2.055 -2.170 1.00 0.23 H new ATOM 1019 N SER A 67 11.994 -4.092 -4.074 1.00 0.24 N ATOM 1020 CA SER A 67 12.702 -4.615 -5.271 1.00 0.26 C ATOM 1021 C SER A 67 11.850 -5.692 -5.938 1.00 0.31 C ATOM 1022 O SER A 67 12.116 -6.107 -7.049 1.00 0.35 O ATOM 1023 CB SER A 67 14.043 -5.210 -4.845 1.00 0.27 C ATOM 1024 OG SER A 67 15.002 -4.481 -5.598 1.00 0.65 O ATOM 0 H SER A 67 12.444 -4.288 -3.180 1.00 0.24 H new ATOM 0 HA SER A 67 12.873 -3.804 -5.978 1.00 0.26 H new ATOM 0 HB2 SER A 67 14.207 -5.096 -3.774 1.00 0.27 H new ATOM 0 HB3 SER A 67 14.093 -6.277 -5.063 1.00 0.27 H new ATOM 0 HG SER A 67 15.902 -4.803 -5.381 1.00 0.65 H new ATOM 1030 N GLU A 68 10.840 -6.121 -5.236 1.00 0.32 N ATOM 1031 CA GLU A 68 9.947 -7.162 -5.794 1.00 0.38 C ATOM 1032 C GLU A 68 8.970 -6.524 -6.771 1.00 0.35 C ATOM 1033 O GLU A 68 8.522 -7.145 -7.713 1.00 0.44 O ATOM 1034 CB GLU A 68 9.177 -7.824 -4.652 1.00 0.42 C ATOM 1035 CG GLU A 68 8.800 -9.246 -5.062 1.00 0.51 C ATOM 1036 CD GLU A 68 7.989 -9.899 -3.942 1.00 1.72 C ATOM 1037 OE1 GLU A 68 7.453 -9.142 -3.150 1.00 2.47 O ATOM 1038 OE2 GLU A 68 7.950 -11.119 -3.943 1.00 2.22 O ATOM 0 H GLU A 68 10.598 -5.794 -4.301 1.00 0.32 H new ATOM 0 HA GLU A 68 10.538 -7.912 -6.319 1.00 0.38 H new ATOM 0 HB2 GLU A 68 9.786 -7.842 -3.748 1.00 0.42 H new ATOM 0 HB3 GLU A 68 8.280 -7.249 -4.420 1.00 0.42 H new ATOM 0 HG2 GLU A 68 8.219 -9.229 -5.984 1.00 0.51 H new ATOM 0 HG3 GLU A 68 9.699 -9.829 -5.263 1.00 0.51 H new ATOM 1045 N CYS A 69 8.666 -5.291 -6.517 1.00 0.27 N ATOM 1046 CA CYS A 69 7.729 -4.561 -7.411 1.00 0.25 C ATOM 1047 C CYS A 69 8.529 -3.728 -8.417 1.00 0.25 C ATOM 1048 O CYS A 69 7.971 -3.024 -9.235 1.00 0.26 O ATOM 1049 CB CYS A 69 6.848 -3.646 -6.565 1.00 0.22 C ATOM 1050 SG CYS A 69 5.530 -4.426 -5.604 1.00 0.21 S ATOM 0 H CYS A 69 9.024 -4.752 -5.728 1.00 0.27 H new ATOM 0 HA CYS A 69 7.104 -5.270 -7.953 1.00 0.25 H new ATOM 0 HB2 CYS A 69 7.492 -3.101 -5.875 1.00 0.22 H new ATOM 0 HB3 CYS A 69 6.393 -2.909 -7.227 1.00 0.22 H new ATOM 0 HG CYS A 69 4.390 -3.881 -5.909 1.00 0.21 H new ATOM 1056 N GLU A 70 9.827 -3.832 -8.324 1.00 0.25 N ATOM 1057 CA GLU A 70 10.703 -3.068 -9.259 1.00 0.26 C ATOM 1058 C GLU A 70 10.350 -1.580 -9.241 1.00 0.22 C ATOM 1059 O GLU A 70 10.231 -0.958 -10.278 1.00 0.24 O ATOM 1060 CB GLU A 70 10.524 -3.614 -10.675 1.00 0.31 C ATOM 1061 CG GLU A 70 10.990 -5.071 -10.717 1.00 1.33 C ATOM 1062 CD GLU A 70 10.444 -5.740 -11.980 1.00 1.73 C ATOM 1063 OE1 GLU A 70 10.362 -5.035 -12.973 1.00 1.18 O ATOM 1064 OE2 GLU A 70 10.139 -6.917 -11.880 1.00 2.72 O ATOM 0 H GLU A 70 10.318 -4.411 -7.643 1.00 0.25 H new ATOM 0 HA GLU A 70 11.739 -3.183 -8.940 1.00 0.26 H new ATOM 0 HB2 GLU A 70 9.478 -3.546 -10.974 1.00 0.31 H new ATOM 0 HB3 GLU A 70 11.098 -3.016 -11.383 1.00 0.31 H new ATOM 0 HG2 GLU A 70 12.079 -5.117 -10.709 1.00 1.33 H new ATOM 0 HG3 GLU A 70 10.642 -5.602 -9.831 1.00 1.33 H new ATOM 1071 N VAL A 71 10.188 -1.038 -8.067 1.00 0.17 N ATOM 1072 CA VAL A 71 9.852 0.415 -7.984 1.00 0.13 C ATOM 1073 C VAL A 71 11.131 1.249 -7.879 1.00 0.33 C ATOM 1074 O VAL A 71 12.140 0.787 -7.385 1.00 0.59 O ATOM 1075 CB VAL A 71 8.978 0.669 -6.759 1.00 0.19 C ATOM 1076 CG1 VAL A 71 7.837 1.607 -7.146 1.00 0.45 C ATOM 1077 CG2 VAL A 71 8.393 -0.654 -6.271 1.00 0.23 C ATOM 0 H VAL A 71 10.271 -1.525 -7.175 1.00 0.17 H new ATOM 0 HA VAL A 71 9.313 0.704 -8.886 1.00 0.13 H new ATOM 0 HB VAL A 71 9.577 1.119 -5.968 1.00 0.19 H new ATOM 0 HG11 VAL A 71 7.208 1.793 -6.276 1.00 0.45 H new ATOM 0 HG12 VAL A 71 8.248 2.551 -7.505 1.00 0.45 H new ATOM 0 HG13 VAL A 71 7.240 1.148 -7.934 1.00 0.45 H new ATOM 0 HG21 VAL A 71 7.768 -0.475 -5.396 1.00 0.23 H new ATOM 0 HG22 VAL A 71 7.790 -1.099 -7.062 1.00 0.23 H new ATOM 0 HG23 VAL A 71 9.203 -1.334 -6.006 1.00 0.23 H new ATOM 1087 N LYS A 72 11.058 2.464 -8.350 1.00 0.30 N ATOM 1088 CA LYS A 72 12.255 3.350 -8.287 1.00 0.48 C ATOM 1089 C LYS A 72 11.824 4.788 -7.994 1.00 0.27 C ATOM 1090 O LYS A 72 12.558 5.725 -8.238 1.00 0.36 O ATOM 1091 CB LYS A 72 12.988 3.299 -9.626 1.00 0.81 C ATOM 1092 CG LYS A 72 14.004 2.157 -9.594 1.00 1.32 C ATOM 1093 CD LYS A 72 14.626 1.996 -10.981 1.00 1.24 C ATOM 1094 CE LYS A 72 15.411 0.684 -11.027 1.00 2.37 C ATOM 1095 NZ LYS A 72 15.937 0.345 -9.674 1.00 3.66 N ATOM 0 H LYS A 72 10.228 2.879 -8.773 1.00 0.30 H new ATOM 0 HA LYS A 72 12.917 3.008 -7.491 1.00 0.48 H new ATOM 0 HB2 LYS A 72 12.277 3.148 -10.439 1.00 0.81 H new ATOM 0 HB3 LYS A 72 13.492 4.247 -9.815 1.00 0.81 H new ATOM 0 HG2 LYS A 72 14.779 2.365 -8.857 1.00 1.32 H new ATOM 0 HG3 LYS A 72 13.517 1.230 -9.291 1.00 1.32 H new ATOM 0 HD2 LYS A 72 13.848 1.996 -11.744 1.00 1.24 H new ATOM 0 HD3 LYS A 72 15.285 2.837 -11.198 1.00 1.24 H new ATOM 0 HE2 LYS A 72 14.768 -0.120 -11.386 1.00 2.37 H new ATOM 0 HE3 LYS A 72 16.236 0.771 -11.734 1.00 2.37 H new ATOM 0 HZ1 LYS A 72 16.654 -0.403 -9.758 1.00 3.66 H new ATOM 0 HZ2 LYS A 72 16.367 1.190 -9.247 1.00 3.66 H new ATOM 0 HZ3 LYS A 72 15.157 0.011 -9.072 1.00 3.66 H new ATOM 1109 N CYS A 73 10.637 4.931 -7.471 1.00 0.02 N ATOM 1110 CA CYS A 73 10.137 6.300 -7.153 1.00 0.23 C ATOM 1111 C CYS A 73 9.027 6.223 -6.104 1.00 0.20 C ATOM 1112 O CYS A 73 8.036 5.544 -6.296 1.00 0.20 O ATOM 1113 CB CYS A 73 9.593 6.945 -8.425 1.00 0.42 C ATOM 1114 SG CYS A 73 8.628 5.897 -9.543 1.00 0.52 S ATOM 0 H CYS A 73 9.997 4.168 -7.252 1.00 0.02 H new ATOM 0 HA CYS A 73 10.957 6.899 -6.757 1.00 0.23 H new ATOM 0 HB2 CYS A 73 8.970 7.791 -8.134 1.00 0.42 H new ATOM 0 HB3 CYS A 73 10.436 7.349 -8.985 1.00 0.42 H new ATOM 0 HG CYS A 73 8.241 6.597 -10.568 1.00 0.52 H new ATOM 1120 N THR A 74 9.222 6.925 -5.019 1.00 0.19 N ATOM 1121 CA THR A 74 8.200 6.913 -3.929 1.00 0.17 C ATOM 1122 C THR A 74 7.521 8.302 -3.834 1.00 0.18 C ATOM 1123 O THR A 74 8.117 9.299 -4.191 1.00 0.20 O ATOM 1124 CB THR A 74 8.917 6.605 -2.607 1.00 0.17 C ATOM 1125 OG1 THR A 74 10.054 7.462 -2.609 1.00 0.26 O ATOM 1126 CG2 THR A 74 9.486 5.187 -2.591 1.00 0.21 C ATOM 0 H THR A 74 10.042 7.505 -4.840 1.00 0.19 H new ATOM 0 HA THR A 74 7.439 6.161 -4.135 1.00 0.17 H new ATOM 0 HB THR A 74 8.227 6.728 -1.772 1.00 0.17 H new ATOM 0 HG1 THR A 74 10.569 7.324 -1.786 1.00 0.26 H new ATOM 0 HG21 THR A 74 9.986 5.006 -1.639 1.00 0.21 H new ATOM 0 HG22 THR A 74 8.676 4.469 -2.718 1.00 0.21 H new ATOM 0 HG23 THR A 74 10.202 5.073 -3.405 1.00 0.21 H new ATOM 1134 N PRO A 75 6.277 8.349 -3.355 1.00 0.18 N ATOM 1135 CA PRO A 75 5.493 7.166 -2.931 1.00 0.17 C ATOM 1136 C PRO A 75 4.934 6.412 -4.149 1.00 0.16 C ATOM 1137 O PRO A 75 4.782 6.978 -5.215 1.00 0.19 O ATOM 1138 CB PRO A 75 4.330 7.740 -2.115 1.00 0.21 C ATOM 1139 CG PRO A 75 4.346 9.287 -2.317 1.00 0.20 C ATOM 1140 CD PRO A 75 5.596 9.629 -3.148 1.00 0.19 C ATOM 0 HA PRO A 75 6.105 6.461 -2.368 1.00 0.17 H new ATOM 0 HB2 PRO A 75 3.381 7.318 -2.447 1.00 0.21 H new ATOM 0 HB3 PRO A 75 4.439 7.488 -1.060 1.00 0.21 H new ATOM 0 HG2 PRO A 75 3.442 9.617 -2.829 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.372 9.800 -1.355 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.324 10.089 -4.098 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.237 10.337 -2.623 1.00 0.19 H new ATOM 1148 N THR A 76 4.643 5.148 -3.962 1.00 0.18 N ATOM 1149 CA THR A 76 4.080 4.342 -5.085 1.00 0.16 C ATOM 1150 C THR A 76 2.915 3.497 -4.564 1.00 0.16 C ATOM 1151 O THR A 76 3.093 2.639 -3.724 1.00 0.20 O ATOM 1152 CB THR A 76 5.177 3.437 -5.657 1.00 0.12 C ATOM 1153 OG1 THR A 76 5.966 4.299 -6.473 1.00 0.15 O ATOM 1154 CG2 THR A 76 4.607 2.391 -6.614 1.00 0.11 C ATOM 0 H THR A 76 4.771 4.643 -3.085 1.00 0.18 H new ATOM 0 HA THR A 76 3.717 5.002 -5.873 1.00 0.16 H new ATOM 0 HB THR A 76 5.703 2.935 -4.845 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.842 4.434 -6.055 1.00 0.15 H new ATOM 0 HG21 THR A 76 5.416 1.770 -6.998 1.00 0.11 H new ATOM 0 HG22 THR A 76 3.889 1.765 -6.084 1.00 0.11 H new ATOM 0 HG23 THR A 76 4.108 2.891 -7.444 1.00 0.11 H new ATOM 1162 N PHE A 77 1.743 3.760 -5.072 1.00 0.17 N ATOM 1163 CA PHE A 77 0.554 2.998 -4.597 1.00 0.17 C ATOM 1164 C PHE A 77 0.276 1.802 -5.499 1.00 0.20 C ATOM 1165 O PHE A 77 0.248 1.926 -6.709 1.00 0.27 O ATOM 1166 CB PHE A 77 -0.657 3.919 -4.603 1.00 0.17 C ATOM 1167 CG PHE A 77 -0.551 4.879 -3.422 1.00 0.13 C ATOM 1168 CD1 PHE A 77 -0.652 4.402 -2.130 1.00 0.09 C ATOM 1169 CD2 PHE A 77 -0.351 6.233 -3.629 1.00 0.17 C ATOM 1170 CE1 PHE A 77 -0.556 5.268 -1.058 1.00 0.11 C ATOM 1171 CE2 PHE A 77 -0.253 7.096 -2.556 1.00 0.14 C ATOM 1172 CZ PHE A 77 -0.356 6.613 -1.272 1.00 0.10 C ATOM 0 H PHE A 77 1.558 4.462 -5.788 1.00 0.17 H new ATOM 0 HA PHE A 77 0.753 2.633 -3.589 1.00 0.17 H new ATOM 0 HB2 PHE A 77 -0.703 4.476 -5.539 1.00 0.17 H new ATOM 0 HB3 PHE A 77 -1.575 3.336 -4.534 1.00 0.17 H new ATOM 0 HD1 PHE A 77 -0.807 3.347 -1.957 1.00 0.09 H new ATOM 0 HD2 PHE A 77 -0.271 6.616 -4.636 1.00 0.17 H new ATOM 0 HE1 PHE A 77 -0.638 4.889 -0.050 1.00 0.11 H new ATOM 0 HE2 PHE A 77 -0.095 8.151 -2.725 1.00 0.14 H new ATOM 0 HZ PHE A 77 -0.280 7.288 -0.433 1.00 0.10 H new ATOM 1182 N GLN A 78 0.077 0.667 -4.883 1.00 0.15 N ATOM 1183 CA GLN A 78 -0.216 -0.568 -5.677 1.00 0.17 C ATOM 1184 C GLN A 78 -1.524 -1.216 -5.204 1.00 0.15 C ATOM 1185 O GLN A 78 -1.900 -1.098 -4.055 1.00 0.11 O ATOM 1186 CB GLN A 78 0.931 -1.550 -5.503 1.00 0.18 C ATOM 1187 CG GLN A 78 2.107 -1.099 -6.373 1.00 0.36 C ATOM 1188 CD GLN A 78 3.301 -2.020 -6.122 1.00 0.58 C ATOM 1189 OE1 GLN A 78 3.165 -3.224 -6.065 1.00 1.31 O ATOM 1190 NE2 GLN A 78 4.485 -1.493 -5.972 1.00 0.74 N ATOM 0 H GLN A 78 0.104 0.539 -3.871 1.00 0.15 H new ATOM 0 HA GLN A 78 -0.324 -0.300 -6.728 1.00 0.17 H new ATOM 0 HB2 GLN A 78 1.232 -1.596 -4.456 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.615 -2.553 -5.788 1.00 0.18 H new ATOM 0 HG2 GLN A 78 1.827 -1.126 -7.426 1.00 0.36 H new ATOM 0 HG3 GLN A 78 2.373 -0.068 -6.140 1.00 0.36 H new ATOM 0 HE21 GLN A 78 4.602 -0.481 -6.019 1.00 0.74 H new ATOM 0 HE22 GLN A 78 5.293 -2.093 -5.807 1.00 0.74 H new ATOM 1199 N PHE A 79 -2.184 -1.885 -6.116 1.00 0.18 N ATOM 1200 CA PHE A 79 -3.479 -2.553 -5.772 1.00 0.18 C ATOM 1201 C PHE A 79 -3.352 -4.067 -5.987 1.00 0.15 C ATOM 1202 O PHE A 79 -3.008 -4.504 -7.067 1.00 0.20 O ATOM 1203 CB PHE A 79 -4.579 -2.013 -6.696 1.00 0.27 C ATOM 1204 CG PHE A 79 -4.925 -0.561 -6.325 1.00 0.27 C ATOM 1205 CD1 PHE A 79 -3.982 0.450 -6.445 1.00 0.23 C ATOM 1206 CD2 PHE A 79 -6.194 -0.241 -5.865 1.00 0.33 C ATOM 1207 CE1 PHE A 79 -4.304 1.752 -6.109 1.00 0.23 C ATOM 1208 CE2 PHE A 79 -6.510 1.060 -5.532 1.00 0.35 C ATOM 1209 CZ PHE A 79 -5.567 2.055 -5.654 1.00 0.30 C ATOM 0 H PHE A 79 -1.883 -1.998 -7.084 1.00 0.18 H new ATOM 0 HA PHE A 79 -3.727 -2.351 -4.730 1.00 0.18 H new ATOM 0 HB2 PHE A 79 -4.248 -2.061 -7.733 1.00 0.27 H new ATOM 0 HB3 PHE A 79 -5.469 -2.637 -6.616 1.00 0.27 H new ATOM 0 HD1 PHE A 79 -2.990 0.218 -6.803 1.00 0.23 H new ATOM 0 HD2 PHE A 79 -6.940 -1.016 -5.767 1.00 0.33 H new ATOM 0 HE1 PHE A 79 -3.563 2.532 -6.204 1.00 0.23 H new ATOM 0 HE2 PHE A 79 -7.501 1.298 -5.174 1.00 0.35 H new ATOM 0 HZ PHE A 79 -5.818 3.073 -5.393 1.00 0.30 H new ATOM 1219 N PHE A 80 -3.631 -4.836 -4.956 1.00 0.09 N ATOM 1220 CA PHE A 80 -3.535 -6.325 -5.097 1.00 0.09 C ATOM 1221 C PHE A 80 -4.893 -6.970 -4.801 1.00 0.09 C ATOM 1222 O PHE A 80 -5.655 -6.482 -3.985 1.00 0.13 O ATOM 1223 CB PHE A 80 -2.487 -6.860 -4.118 1.00 0.10 C ATOM 1224 CG PHE A 80 -1.091 -6.461 -4.597 1.00 0.11 C ATOM 1225 CD1 PHE A 80 -0.469 -7.158 -5.618 1.00 0.17 C ATOM 1226 CD2 PHE A 80 -0.430 -5.393 -4.013 1.00 0.09 C ATOM 1227 CE1 PHE A 80 0.794 -6.794 -6.045 1.00 0.19 C ATOM 1228 CE2 PHE A 80 0.830 -5.032 -4.443 1.00 0.11 C ATOM 1229 CZ PHE A 80 1.441 -5.732 -5.456 1.00 0.17 C ATOM 0 H PHE A 80 -3.917 -4.501 -4.036 1.00 0.09 H new ATOM 0 HA PHE A 80 -3.242 -6.571 -6.118 1.00 0.09 H new ATOM 0 HB2 PHE A 80 -2.669 -6.461 -3.120 1.00 0.10 H new ATOM 0 HB3 PHE A 80 -2.562 -7.945 -4.046 1.00 0.10 H new ATOM 0 HD1 PHE A 80 -0.974 -7.991 -6.084 1.00 0.17 H new ATOM 0 HD2 PHE A 80 -0.904 -4.839 -3.216 1.00 0.09 H new ATOM 0 HE1 PHE A 80 1.274 -7.343 -6.842 1.00 0.19 H new ATOM 0 HE2 PHE A 80 1.338 -4.197 -3.983 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.428 -5.449 -5.789 1.00 0.17 H new ATOM 1239 N LYS A 81 -5.171 -8.048 -5.480 1.00 0.07 N ATOM 1240 CA LYS A 81 -6.473 -8.743 -5.261 1.00 0.09 C ATOM 1241 C LYS A 81 -6.283 -10.258 -5.368 1.00 0.18 C ATOM 1242 O LYS A 81 -5.780 -10.755 -6.356 1.00 0.26 O ATOM 1243 CB LYS A 81 -7.471 -8.277 -6.322 1.00 0.06 C ATOM 1244 CG LYS A 81 -8.782 -9.047 -6.149 1.00 0.45 C ATOM 1245 CD LYS A 81 -9.951 -8.134 -6.525 1.00 0.15 C ATOM 1246 CE LYS A 81 -11.259 -8.916 -6.396 1.00 1.02 C ATOM 1247 NZ LYS A 81 -11.568 -9.629 -7.667 1.00 1.72 N ATOM 0 H LYS A 81 -4.558 -8.477 -6.173 1.00 0.07 H new ATOM 0 HA LYS A 81 -6.849 -8.503 -4.266 1.00 0.09 H new ATOM 0 HB2 LYS A 81 -7.649 -7.206 -6.226 1.00 0.06 H new ATOM 0 HB3 LYS A 81 -7.065 -8.445 -7.320 1.00 0.06 H new ATOM 0 HG2 LYS A 81 -8.782 -9.937 -6.779 1.00 0.45 H new ATOM 0 HG3 LYS A 81 -8.886 -9.386 -5.118 1.00 0.45 H new ATOM 0 HD2 LYS A 81 -9.970 -7.260 -5.874 1.00 0.15 H new ATOM 0 HD3 LYS A 81 -9.830 -7.769 -7.545 1.00 0.15 H new ATOM 0 HE2 LYS A 81 -11.182 -9.634 -5.579 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.073 -8.236 -6.147 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.459 -10.155 -7.562 1.00 1.72 H new ATOM 0 HZ2 LYS A 81 -11.662 -8.938 -8.439 1.00 1.72 H new ATOM 0 HZ3 LYS A 81 -10.798 -10.293 -7.889 1.00 1.72 H new ATOM 1261 N LYS A 82 -6.691 -10.960 -4.349 1.00 0.23 N ATOM 1262 CA LYS A 82 -6.538 -12.441 -4.378 1.00 0.32 C ATOM 1263 C LYS A 82 -5.060 -12.804 -4.544 1.00 0.34 C ATOM 1264 O LYS A 82 -4.718 -13.956 -4.725 1.00 0.40 O ATOM 1265 CB LYS A 82 -7.339 -12.999 -5.556 1.00 0.35 C ATOM 1266 CG LYS A 82 -8.275 -14.115 -5.070 1.00 0.58 C ATOM 1267 CD LYS A 82 -7.449 -15.359 -4.732 1.00 2.17 C ATOM 1268 CE LYS A 82 -8.371 -16.432 -4.151 1.00 2.72 C ATOM 1269 NZ LYS A 82 -7.658 -17.735 -4.052 1.00 3.93 N ATOM 0 H LYS A 82 -7.119 -10.578 -3.506 1.00 0.23 H new ATOM 0 HA LYS A 82 -6.906 -12.868 -3.445 1.00 0.32 H new ATOM 0 HB2 LYS A 82 -7.920 -12.203 -6.022 1.00 0.35 H new ATOM 0 HB3 LYS A 82 -6.661 -13.386 -6.317 1.00 0.35 H new ATOM 0 HG2 LYS A 82 -8.829 -13.783 -4.192 1.00 0.58 H new ATOM 0 HG3 LYS A 82 -9.009 -14.351 -5.840 1.00 0.58 H new ATOM 0 HD2 LYS A 82 -6.953 -15.735 -5.627 1.00 2.17 H new ATOM 0 HD3 LYS A 82 -6.667 -15.107 -4.015 1.00 2.17 H new ATOM 0 HE2 LYS A 82 -8.719 -16.125 -3.165 1.00 2.72 H new ATOM 0 HE3 LYS A 82 -9.254 -16.541 -4.781 1.00 2.72 H new ATOM 0 HZ1 LYS A 82 -8.299 -18.452 -3.656 1.00 3.93 H new ATOM 0 HZ2 LYS A 82 -7.347 -18.034 -4.999 1.00 3.93 H new ATOM 0 HZ3 LYS A 82 -6.829 -17.631 -3.432 1.00 3.93 H new ATOM 1283 N GLY A 83 -4.217 -11.807 -4.476 1.00 0.29 N ATOM 1284 CA GLY A 83 -2.757 -12.062 -4.624 1.00 0.32 C ATOM 1285 C GLY A 83 -2.290 -11.699 -6.036 1.00 0.32 C ATOM 1286 O GLY A 83 -1.219 -12.091 -6.453 1.00 0.37 O ATOM 0 H GLY A 83 -4.476 -10.832 -4.325 1.00 0.29 H new ATOM 0 HA2 GLY A 83 -2.203 -11.477 -3.890 1.00 0.32 H new ATOM 0 HA3 GLY A 83 -2.543 -13.112 -4.422 1.00 0.32 H new ATOM 1290 N GLN A 84 -3.111 -10.955 -6.739 1.00 0.28 N ATOM 1291 CA GLN A 84 -2.739 -10.550 -8.130 1.00 0.32 C ATOM 1292 C GLN A 84 -2.865 -9.033 -8.294 1.00 0.28 C ATOM 1293 O GLN A 84 -3.837 -8.436 -7.875 1.00 0.22 O ATOM 1294 CB GLN A 84 -3.671 -11.250 -9.119 1.00 0.35 C ATOM 1295 CG GLN A 84 -2.829 -12.060 -10.106 1.00 1.16 C ATOM 1296 CD GLN A 84 -3.737 -12.646 -11.188 1.00 1.21 C ATOM 1297 OE1 GLN A 84 -4.634 -13.419 -10.910 1.00 0.68 O ATOM 1298 NE2 GLN A 84 -3.539 -12.309 -12.432 1.00 2.39 N ATOM 0 H GLN A 84 -4.015 -10.614 -6.412 1.00 0.28 H new ATOM 0 HA GLN A 84 -1.706 -10.838 -8.323 1.00 0.32 H new ATOM 0 HB2 GLN A 84 -4.362 -11.904 -8.587 1.00 0.35 H new ATOM 0 HB3 GLN A 84 -4.274 -10.516 -9.653 1.00 0.35 H new ATOM 0 HG2 GLN A 84 -2.068 -11.424 -10.559 1.00 1.16 H new ATOM 0 HG3 GLN A 84 -2.305 -12.860 -9.583 1.00 1.16 H new ATOM 0 HE21 GLN A 84 -2.788 -11.661 -12.672 1.00 2.39 H new ATOM 0 HE22 GLN A 84 -4.135 -12.693 -13.165 1.00 2.39 H new ATOM 1307 N LYS A 85 -1.873 -8.444 -8.903 1.00 0.34 N ATOM 1308 CA LYS A 85 -1.900 -6.970 -9.106 1.00 0.33 C ATOM 1309 C LYS A 85 -2.924 -6.602 -10.184 1.00 0.35 C ATOM 1310 O LYS A 85 -2.881 -7.122 -11.281 1.00 0.49 O ATOM 1311 CB LYS A 85 -0.507 -6.514 -9.544 1.00 0.37 C ATOM 1312 CG LYS A 85 -0.405 -4.989 -9.464 1.00 0.38 C ATOM 1313 CD LYS A 85 1.072 -4.590 -9.451 1.00 0.41 C ATOM 1314 CE LYS A 85 1.728 -5.054 -10.754 1.00 0.32 C ATOM 1315 NZ LYS A 85 3.011 -4.330 -10.979 1.00 0.91 N ATOM 0 H LYS A 85 -1.047 -8.919 -9.268 1.00 0.34 H new ATOM 0 HA LYS A 85 -2.183 -6.477 -8.176 1.00 0.33 H new ATOM 0 HB2 LYS A 85 0.251 -6.971 -8.908 1.00 0.37 H new ATOM 0 HB3 LYS A 85 -0.310 -6.847 -10.563 1.00 0.37 H new ATOM 0 HG2 LYS A 85 -0.911 -4.532 -10.315 1.00 0.38 H new ATOM 0 HG3 LYS A 85 -0.902 -4.625 -8.565 1.00 0.38 H new ATOM 0 HD2 LYS A 85 1.169 -3.509 -9.345 1.00 0.41 H new ATOM 0 HD3 LYS A 85 1.576 -5.040 -8.595 1.00 0.41 H new ATOM 0 HE2 LYS A 85 1.912 -6.128 -10.713 1.00 0.32 H new ATOM 0 HE3 LYS A 85 1.052 -4.878 -11.591 1.00 0.32 H new ATOM 0 HZ1 LYS A 85 3.620 -4.890 -11.609 1.00 0.91 H new ATOM 0 HZ2 LYS A 85 2.817 -3.407 -11.417 1.00 0.91 H new ATOM 0 HZ3 LYS A 85 3.493 -4.187 -10.069 1.00 0.91 H new ATOM 1329 N VAL A 86 -3.820 -5.707 -9.842 1.00 0.37 N ATOM 1330 CA VAL A 86 -4.863 -5.283 -10.828 1.00 0.38 C ATOM 1331 C VAL A 86 -4.717 -3.792 -11.151 1.00 0.36 C ATOM 1332 O VAL A 86 -5.107 -3.344 -12.212 1.00 0.31 O ATOM 1333 CB VAL A 86 -6.243 -5.542 -10.229 1.00 0.39 C ATOM 1334 CG1 VAL A 86 -6.554 -7.038 -10.308 1.00 0.40 C ATOM 1335 CG2 VAL A 86 -6.245 -5.108 -8.761 1.00 0.40 C ATOM 0 H VAL A 86 -3.874 -5.255 -8.929 1.00 0.37 H new ATOM 0 HA VAL A 86 -4.740 -5.853 -11.749 1.00 0.38 H new ATOM 0 HB VAL A 86 -6.994 -4.978 -10.782 1.00 0.39 H new ATOM 0 HG11 VAL A 86 -7.539 -7.228 -9.881 1.00 0.40 H new ATOM 0 HG12 VAL A 86 -6.542 -7.358 -11.350 1.00 0.40 H new ATOM 0 HG13 VAL A 86 -5.803 -7.596 -9.749 1.00 0.40 H new ATOM 0 HG21 VAL A 86 -7.229 -5.291 -8.329 1.00 0.40 H new ATOM 0 HG22 VAL A 86 -5.496 -5.678 -8.212 1.00 0.40 H new ATOM 0 HG23 VAL A 86 -6.012 -4.045 -8.695 1.00 0.40 H new ATOM 1345 N GLY A 87 -4.160 -3.055 -10.230 1.00 0.39 N ATOM 1346 CA GLY A 87 -3.985 -1.594 -10.471 1.00 0.36 C ATOM 1347 C GLY A 87 -2.692 -1.095 -9.826 1.00 0.33 C ATOM 1348 O GLY A 87 -2.226 -1.651 -8.851 1.00 0.33 O ATOM 0 H GLY A 87 -3.822 -3.396 -9.330 1.00 0.39 H new ATOM 0 HA2 GLY A 87 -3.963 -1.396 -11.543 1.00 0.36 H new ATOM 0 HA3 GLY A 87 -4.836 -1.048 -10.063 1.00 0.36 H new ATOM 1352 N GLU A 88 -2.134 -0.058 -10.384 1.00 0.31 N ATOM 1353 CA GLU A 88 -0.875 0.487 -9.801 1.00 0.28 C ATOM 1354 C GLU A 88 -0.562 1.867 -10.381 1.00 0.25 C ATOM 1355 O GLU A 88 -0.456 2.041 -11.579 1.00 0.25 O ATOM 1356 CB GLU A 88 0.278 -0.472 -10.109 1.00 0.30 C ATOM 1357 CG GLU A 88 0.220 -0.883 -11.584 1.00 1.37 C ATOM 1358 CD GLU A 88 1.611 -0.742 -12.206 1.00 1.12 C ATOM 1359 OE1 GLU A 88 1.880 0.345 -12.692 1.00 2.15 O ATOM 1360 OE2 GLU A 88 2.327 -1.728 -12.158 1.00 0.96 O ATOM 0 H GLU A 88 -2.488 0.431 -11.206 1.00 0.31 H new ATOM 0 HA GLU A 88 -1.001 0.586 -8.723 1.00 0.28 H new ATOM 0 HB2 GLU A 88 1.232 0.008 -9.891 1.00 0.30 H new ATOM 0 HB3 GLU A 88 0.212 -1.354 -9.472 1.00 0.30 H new ATOM 0 HG2 GLU A 88 -0.127 -1.912 -11.673 1.00 1.37 H new ATOM 0 HG3 GLU A 88 -0.495 -0.258 -12.119 1.00 1.37 H new ATOM 1367 N PHE A 89 -0.422 2.819 -9.506 1.00 0.21 N ATOM 1368 CA PHE A 89 -0.107 4.194 -9.952 1.00 0.18 C ATOM 1369 C PHE A 89 0.709 4.912 -8.871 1.00 0.17 C ATOM 1370 O PHE A 89 0.378 4.852 -7.702 1.00 0.18 O ATOM 1371 CB PHE A 89 -1.421 4.920 -10.201 1.00 0.17 C ATOM 1372 CG PHE A 89 -1.897 5.611 -8.920 1.00 0.15 C ATOM 1373 CD1 PHE A 89 -1.381 6.840 -8.549 1.00 0.13 C ATOM 1374 CD2 PHE A 89 -2.855 5.014 -8.119 1.00 0.16 C ATOM 1375 CE1 PHE A 89 -1.817 7.459 -7.396 1.00 0.12 C ATOM 1376 CE2 PHE A 89 -3.289 5.637 -6.966 1.00 0.15 C ATOM 1377 CZ PHE A 89 -2.771 6.858 -6.606 1.00 0.13 C ATOM 0 H PHE A 89 -0.513 2.700 -8.497 1.00 0.21 H new ATOM 0 HA PHE A 89 0.484 4.177 -10.868 1.00 0.18 H new ATOM 0 HB2 PHE A 89 -1.293 5.657 -10.994 1.00 0.17 H new ATOM 0 HB3 PHE A 89 -2.176 4.212 -10.543 1.00 0.17 H new ATOM 0 HD1 PHE A 89 -0.633 7.317 -9.165 1.00 0.13 H new ATOM 0 HD2 PHE A 89 -3.266 4.055 -8.398 1.00 0.16 H new ATOM 0 HE1 PHE A 89 -1.409 8.418 -7.112 1.00 0.12 H new ATOM 0 HE2 PHE A 89 -4.036 5.164 -6.346 1.00 0.15 H new ATOM 0 HZ PHE A 89 -3.112 7.345 -5.705 1.00 0.13 H new ATOM 1387 N SER A 90 1.763 5.572 -9.288 1.00 0.15 N ATOM 1388 CA SER A 90 2.628 6.292 -8.299 1.00 0.13 C ATOM 1389 C SER A 90 2.611 7.798 -8.563 1.00 0.20 C ATOM 1390 O SER A 90 1.976 8.261 -9.491 1.00 0.21 O ATOM 1391 CB SER A 90 4.060 5.772 -8.421 1.00 0.36 C ATOM 1392 OG SER A 90 4.393 5.988 -9.785 1.00 0.73 O ATOM 0 H SER A 90 2.060 5.644 -10.261 1.00 0.15 H new ATOM 0 HA SER A 90 2.245 6.111 -7.295 1.00 0.13 H new ATOM 0 HB2 SER A 90 4.737 6.308 -7.756 1.00 0.36 H new ATOM 0 HB3 SER A 90 4.124 4.716 -8.157 1.00 0.36 H new ATOM 0 HG SER A 90 5.308 5.680 -9.951 1.00 0.73 H new ATOM 1398 N GLY A 91 3.313 8.528 -7.731 1.00 0.40 N ATOM 1399 CA GLY A 91 3.362 10.013 -7.894 1.00 0.68 C ATOM 1400 C GLY A 91 2.735 10.696 -6.678 1.00 0.78 C ATOM 1401 O GLY A 91 1.759 10.222 -6.133 1.00 0.77 O ATOM 0 H GLY A 91 3.853 8.160 -6.948 1.00 0.40 H new ATOM 0 HA2 GLY A 91 4.395 10.340 -8.012 1.00 0.68 H new ATOM 0 HA3 GLY A 91 2.830 10.305 -8.799 1.00 0.68 H new ATOM 1405 N ALA A 92 3.311 11.796 -6.277 1.00 0.95 N ATOM 1406 CA ALA A 92 2.759 12.523 -5.094 1.00 1.10 C ATOM 1407 C ALA A 92 1.271 12.826 -5.303 1.00 1.00 C ATOM 1408 O ALA A 92 0.910 13.891 -5.761 1.00 1.51 O ATOM 1409 CB ALA A 92 3.524 13.832 -4.909 1.00 1.36 C ATOM 0 H ALA A 92 4.131 12.221 -6.710 1.00 0.95 H new ATOM 0 HA ALA A 92 2.869 11.899 -4.207 1.00 1.10 H new ATOM 0 HB1 ALA A 92 3.126 14.367 -4.047 1.00 1.36 H new ATOM 0 HB2 ALA A 92 4.580 13.616 -4.746 1.00 1.36 H new ATOM 0 HB3 ALA A 92 3.413 14.448 -5.802 1.00 1.36 H new ATOM 1415 N ASN A 93 0.441 11.880 -4.962 1.00 0.62 N ATOM 1416 CA ASN A 93 -1.026 12.095 -5.132 1.00 0.58 C ATOM 1417 C ASN A 93 -1.801 11.303 -4.075 1.00 0.73 C ATOM 1418 O ASN A 93 -1.406 10.219 -3.693 1.00 1.21 O ATOM 1419 CB ASN A 93 -1.444 11.628 -6.524 1.00 0.59 C ATOM 1420 CG ASN A 93 -2.550 12.542 -7.053 1.00 0.60 C ATOM 1421 OD1 ASN A 93 -2.664 12.772 -8.241 1.00 0.66 O ATOM 1422 ND2 ASN A 93 -3.384 13.082 -6.208 1.00 0.57 N ATOM 0 H ASN A 93 0.710 10.975 -4.576 1.00 0.62 H new ATOM 0 HA ASN A 93 -1.249 13.155 -5.014 1.00 0.58 H new ATOM 0 HB2 ASN A 93 -0.588 11.646 -7.198 1.00 0.59 H new ATOM 0 HB3 ASN A 93 -1.796 10.597 -6.484 1.00 0.59 H new ATOM 0 HD21 ASN A 93 -4.127 13.694 -6.545 1.00 0.57 H new ATOM 0 HD22 ASN A 93 -3.293 12.892 -5.210 1.00 0.57 H new ATOM 1429 N LYS A 94 -2.889 11.868 -3.626 1.00 0.48 N ATOM 1430 CA LYS A 94 -3.713 11.169 -2.595 1.00 0.55 C ATOM 1431 C LYS A 94 -5.197 11.356 -2.911 1.00 0.43 C ATOM 1432 O LYS A 94 -5.961 10.414 -2.879 1.00 0.33 O ATOM 1433 CB LYS A 94 -3.412 11.719 -1.182 1.00 0.87 C ATOM 1434 CG LYS A 94 -2.428 12.909 -1.234 1.00 1.11 C ATOM 1435 CD LYS A 94 -3.149 14.163 -1.750 1.00 0.82 C ATOM 1436 CE LYS A 94 -2.242 15.378 -1.548 1.00 1.09 C ATOM 1437 NZ LYS A 94 -2.752 16.229 -0.437 1.00 0.82 N ATOM 0 H LYS A 94 -3.242 12.777 -3.925 1.00 0.48 H new ATOM 0 HA LYS A 94 -3.462 10.109 -2.614 1.00 0.55 H new ATOM 0 HB2 LYS A 94 -4.341 12.035 -0.708 1.00 0.87 H new ATOM 0 HB3 LYS A 94 -2.992 10.926 -0.564 1.00 0.87 H new ATOM 0 HG2 LYS A 94 -2.019 13.097 -0.241 1.00 1.11 H new ATOM 0 HG3 LYS A 94 -1.587 12.669 -1.885 1.00 1.11 H new ATOM 0 HD2 LYS A 94 -3.395 14.048 -2.806 1.00 0.82 H new ATOM 0 HD3 LYS A 94 -4.089 14.303 -1.217 1.00 0.82 H new ATOM 0 HE2 LYS A 94 -1.227 15.049 -1.326 1.00 1.09 H new ATOM 0 HE3 LYS A 94 -2.194 15.961 -2.468 1.00 1.09 H new ATOM 0 HZ1 LYS A 94 -2.011 16.896 -0.143 1.00 0.82 H new ATOM 0 HZ2 LYS A 94 -3.586 16.759 -0.760 1.00 0.82 H new ATOM 0 HZ3 LYS A 94 -3.015 15.627 0.369 1.00 0.82 H new ATOM 1451 N GLU A 95 -5.580 12.568 -3.209 1.00 0.56 N ATOM 1452 CA GLU A 95 -7.007 12.810 -3.548 1.00 0.68 C ATOM 1453 C GLU A 95 -7.441 11.811 -4.623 1.00 0.58 C ATOM 1454 O GLU A 95 -8.616 11.631 -4.878 1.00 0.73 O ATOM 1455 CB GLU A 95 -7.165 14.234 -4.079 1.00 0.80 C ATOM 1456 CG GLU A 95 -8.651 14.523 -4.305 1.00 0.58 C ATOM 1457 CD GLU A 95 -8.837 16.011 -4.608 1.00 0.60 C ATOM 1458 OE1 GLU A 95 -8.308 16.427 -5.626 1.00 1.39 O ATOM 1459 OE2 GLU A 95 -9.497 16.649 -3.804 1.00 1.21 O ATOM 0 H GLU A 95 -4.975 13.389 -3.232 1.00 0.56 H new ATOM 0 HA GLU A 95 -7.626 12.684 -2.660 1.00 0.68 H new ATOM 0 HB2 GLU A 95 -6.747 14.948 -3.370 1.00 0.80 H new ATOM 0 HB3 GLU A 95 -6.613 14.351 -5.012 1.00 0.80 H new ATOM 0 HG2 GLU A 95 -9.028 13.922 -5.132 1.00 0.58 H new ATOM 0 HG3 GLU A 95 -9.226 14.246 -3.421 1.00 0.58 H new ATOM 1466 N LYS A 96 -6.468 11.183 -5.228 1.00 0.40 N ATOM 1467 CA LYS A 96 -6.770 10.186 -6.287 1.00 0.42 C ATOM 1468 C LYS A 96 -7.063 8.816 -5.659 1.00 0.38 C ATOM 1469 O LYS A 96 -7.941 8.107 -6.103 1.00 0.44 O ATOM 1470 CB LYS A 96 -5.559 10.083 -7.214 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.830 9.033 -8.291 1.00 0.47 C ATOM 1472 CD LYS A 96 -5.453 9.610 -9.660 1.00 0.47 C ATOM 1473 CE LYS A 96 -6.461 10.696 -10.050 1.00 1.83 C ATOM 1474 NZ LYS A 96 -5.755 11.960 -10.401 1.00 2.31 N ATOM 0 H LYS A 96 -5.477 11.320 -5.032 1.00 0.40 H new ATOM 0 HA LYS A 96 -7.649 10.501 -6.850 1.00 0.42 H new ATOM 0 HB2 LYS A 96 -5.358 11.050 -7.676 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.672 9.812 -6.642 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -5.252 8.131 -8.091 1.00 0.47 H new ATOM 0 HG3 LYS A 96 -6.882 8.746 -8.280 1.00 0.47 H new ATOM 0 HD2 LYS A 96 -4.447 10.028 -9.626 1.00 0.47 H new ATOM 0 HD3 LYS A 96 -5.445 8.819 -10.410 1.00 0.47 H new ATOM 0 HE2 LYS A 96 -7.059 10.359 -10.897 1.00 1.83 H new ATOM 0 HE3 LYS A 96 -7.150 10.874 -9.225 1.00 1.83 H new ATOM 0 HZ1 LYS A 96 -6.452 12.686 -10.663 1.00 2.31 H new ATOM 0 HZ2 LYS A 96 -5.204 12.289 -9.583 1.00 2.31 H new ATOM 0 HZ3 LYS A 96 -5.115 11.789 -11.203 1.00 2.31 H new ATOM 1488 N LEU A 97 -6.315 8.472 -4.635 1.00 0.29 N ATOM 1489 CA LEU A 97 -6.545 7.153 -3.966 1.00 0.25 C ATOM 1490 C LEU A 97 -8.046 6.898 -3.793 1.00 0.29 C ATOM 1491 O LEU A 97 -8.568 5.923 -4.284 1.00 0.26 O ATOM 1492 CB LEU A 97 -5.885 7.159 -2.582 1.00 0.21 C ATOM 1493 CG LEU A 97 -4.472 6.585 -2.684 1.00 0.48 C ATOM 1494 CD1 LEU A 97 -3.642 7.086 -1.497 1.00 0.46 C ATOM 1495 CD2 LEU A 97 -4.536 5.047 -2.642 1.00 0.93 C ATOM 0 H LEU A 97 -5.566 9.040 -4.239 1.00 0.29 H new ATOM 0 HA LEU A 97 -6.113 6.368 -4.587 1.00 0.25 H new ATOM 0 HB2 LEU A 97 -5.848 8.176 -2.190 1.00 0.21 H new ATOM 0 HB3 LEU A 97 -6.478 6.570 -1.883 1.00 0.21 H new ATOM 0 HG LEU A 97 -4.014 6.904 -3.620 1.00 0.48 H new ATOM 0 HD11 LEU A 97 -2.632 6.681 -1.562 1.00 0.46 H new ATOM 0 HD12 LEU A 97 -3.598 8.175 -1.517 1.00 0.46 H new ATOM 0 HD13 LEU A 97 -4.105 6.759 -0.566 1.00 0.46 H new ATOM 0 HD21 LEU A 97 -3.528 4.639 -2.715 1.00 0.93 H new ATOM 0 HD22 LEU A 97 -4.990 4.727 -1.704 1.00 0.93 H new ATOM 0 HD23 LEU A 97 -5.135 4.685 -3.477 1.00 0.93 H new ATOM 1507 N GLU A 98 -8.703 7.789 -3.095 1.00 0.41 N ATOM 1508 CA GLU A 98 -10.173 7.619 -2.861 1.00 0.47 C ATOM 1509 C GLU A 98 -10.874 7.101 -4.116 1.00 0.49 C ATOM 1510 O GLU A 98 -11.324 5.973 -4.163 1.00 0.51 O ATOM 1511 CB GLU A 98 -10.775 8.964 -2.466 1.00 0.50 C ATOM 1512 CG GLU A 98 -12.289 8.807 -2.302 1.00 0.41 C ATOM 1513 CD GLU A 98 -12.830 9.956 -1.449 1.00 0.96 C ATOM 1514 OE1 GLU A 98 -12.746 9.818 -0.239 1.00 1.83 O ATOM 1515 OE2 GLU A 98 -13.297 10.906 -2.054 1.00 1.37 O ATOM 0 H GLU A 98 -8.290 8.623 -2.678 1.00 0.41 H new ATOM 0 HA GLU A 98 -10.315 6.890 -2.063 1.00 0.47 H new ATOM 0 HB2 GLU A 98 -10.331 9.316 -1.535 1.00 0.50 H new ATOM 0 HB3 GLU A 98 -10.555 9.712 -3.227 1.00 0.50 H new ATOM 0 HG2 GLU A 98 -12.773 8.805 -3.278 1.00 0.41 H new ATOM 0 HG3 GLU A 98 -12.518 7.851 -1.831 1.00 0.41 H new ATOM 1522 N ALA A 99 -10.952 7.936 -5.099 1.00 0.50 N ATOM 1523 CA ALA A 99 -11.626 7.520 -6.365 1.00 0.54 C ATOM 1524 C ALA A 99 -10.996 6.230 -6.906 1.00 0.48 C ATOM 1525 O ALA A 99 -11.681 5.385 -7.445 1.00 0.43 O ATOM 1526 CB ALA A 99 -11.479 8.634 -7.399 1.00 0.59 C ATOM 0 H ALA A 99 -10.583 8.887 -5.091 1.00 0.50 H new ATOM 0 HA ALA A 99 -12.681 7.336 -6.165 1.00 0.54 H new ATOM 0 HB1 ALA A 99 -11.969 8.337 -8.326 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -11.941 9.545 -7.020 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -10.421 8.816 -7.590 1.00 0.59 H new ATOM 1532 N THR A 100 -9.706 6.105 -6.748 1.00 0.50 N ATOM 1533 CA THR A 100 -9.029 4.874 -7.253 1.00 0.45 C ATOM 1534 C THR A 100 -9.629 3.637 -6.579 1.00 0.38 C ATOM 1535 O THR A 100 -9.938 2.663 -7.233 1.00 0.35 O ATOM 1536 CB THR A 100 -7.531 4.951 -6.949 1.00 0.44 C ATOM 1537 OG1 THR A 100 -7.146 6.262 -7.352 1.00 0.54 O ATOM 1538 CG2 THR A 100 -6.731 4.004 -7.841 1.00 0.41 C ATOM 0 H THR A 100 -9.098 6.790 -6.298 1.00 0.50 H new ATOM 0 HA THR A 100 -9.176 4.800 -8.330 1.00 0.45 H new ATOM 0 HB THR A 100 -7.350 4.706 -5.903 1.00 0.44 H new ATOM 0 HG1 THR A 100 -7.440 6.911 -6.679 1.00 0.54 H new ATOM 0 HG21 THR A 100 -5.671 4.084 -7.599 1.00 0.41 H new ATOM 0 HG22 THR A 100 -7.065 2.980 -7.676 1.00 0.41 H new ATOM 0 HG23 THR A 100 -6.885 4.272 -8.886 1.00 0.41 H new ATOM 1546 N ILE A 101 -9.776 3.694 -5.285 1.00 0.36 N ATOM 1547 CA ILE A 101 -10.375 2.529 -4.578 1.00 0.29 C ATOM 1548 C ILE A 101 -11.758 2.276 -5.158 1.00 0.29 C ATOM 1549 O ILE A 101 -12.158 1.149 -5.362 1.00 0.23 O ATOM 1550 CB ILE A 101 -10.481 2.841 -3.070 1.00 0.32 C ATOM 1551 CG1 ILE A 101 -9.181 2.415 -2.357 1.00 0.41 C ATOM 1552 CG2 ILE A 101 -11.663 2.068 -2.467 1.00 0.29 C ATOM 1553 CD1 ILE A 101 -8.028 3.305 -2.824 1.00 1.12 C ATOM 0 H ILE A 101 -9.512 4.483 -4.695 1.00 0.36 H new ATOM 0 HA ILE A 101 -9.752 1.644 -4.708 1.00 0.29 H new ATOM 0 HB ILE A 101 -10.636 3.912 -2.937 1.00 0.32 H new ATOM 0 HG12 ILE A 101 -9.303 2.496 -1.277 1.00 0.41 H new ATOM 0 HG13 ILE A 101 -8.960 1.370 -2.575 1.00 0.41 H new ATOM 0 HG21 ILE A 101 -11.737 2.289 -1.402 1.00 0.29 H new ATOM 0 HG22 ILE A 101 -12.585 2.367 -2.965 1.00 0.29 H new ATOM 0 HG23 ILE A 101 -11.507 0.998 -2.606 1.00 0.29 H new ATOM 0 HD11 ILE A 101 -7.109 3.004 -2.320 1.00 1.12 H new ATOM 0 HD12 ILE A 101 -7.902 3.201 -3.902 1.00 1.12 H new ATOM 0 HD13 ILE A 101 -8.250 4.345 -2.583 1.00 1.12 H new ATOM 1565 N ASN A 102 -12.450 3.341 -5.415 1.00 0.35 N ATOM 1566 CA ASN A 102 -13.808 3.210 -6.003 1.00 0.36 C ATOM 1567 C ASN A 102 -13.693 2.550 -7.374 1.00 0.36 C ATOM 1568 O ASN A 102 -14.671 2.110 -7.944 1.00 0.36 O ATOM 1569 CB ASN A 102 -14.419 4.603 -6.157 1.00 0.43 C ATOM 1570 CG ASN A 102 -15.901 4.558 -5.781 1.00 0.95 C ATOM 1571 OD1 ASN A 102 -16.540 3.526 -5.840 1.00 0.91 O ATOM 1572 ND2 ASN A 102 -16.485 5.658 -5.390 1.00 1.53 N ATOM 0 H ASN A 102 -12.138 4.297 -5.245 1.00 0.35 H new ATOM 0 HA ASN A 102 -14.440 2.602 -5.356 1.00 0.36 H new ATOM 0 HB2 ASN A 102 -13.893 5.314 -5.520 1.00 0.43 H new ATOM 0 HB3 ASN A 102 -14.304 4.950 -7.184 1.00 0.43 H new ATOM 0 HD21 ASN A 102 -17.473 5.648 -5.136 1.00 1.53 H new ATOM 0 HD22 ASN A 102 -15.954 6.527 -5.339 1.00 1.53 H new ATOM 1579 N GLU A 103 -12.488 2.500 -7.869 1.00 0.36 N ATOM 1580 CA GLU A 103 -12.269 1.879 -9.202 1.00 0.38 C ATOM 1581 C GLU A 103 -12.376 0.351 -9.111 1.00 0.34 C ATOM 1582 O GLU A 103 -13.085 -0.264 -9.883 1.00 0.41 O ATOM 1583 CB GLU A 103 -10.879 2.264 -9.708 1.00 0.40 C ATOM 1584 CG GLU A 103 -10.870 2.199 -11.236 1.00 0.43 C ATOM 1585 CD GLU A 103 -11.406 3.516 -11.804 1.00 1.38 C ATOM 1586 OE1 GLU A 103 -12.228 4.105 -11.122 1.00 2.48 O ATOM 1587 OE2 GLU A 103 -10.964 3.857 -12.889 1.00 1.37 O ATOM 0 H GLU A 103 -11.651 2.860 -7.411 1.00 0.36 H new ATOM 0 HA GLU A 103 -13.033 2.239 -9.891 1.00 0.38 H new ATOM 0 HB2 GLU A 103 -10.621 3.268 -9.372 1.00 0.40 H new ATOM 0 HB3 GLU A 103 -10.128 1.588 -9.298 1.00 0.40 H new ATOM 0 HG2 GLU A 103 -9.857 2.020 -11.597 1.00 0.43 H new ATOM 0 HG3 GLU A 103 -11.483 1.366 -11.579 1.00 0.43 H new ATOM 1594 N LEU A 104 -11.671 -0.234 -8.167 1.00 0.24 N ATOM 1595 CA LEU A 104 -11.720 -1.728 -8.039 1.00 0.23 C ATOM 1596 C LEU A 104 -12.657 -2.156 -6.898 1.00 0.19 C ATOM 1597 O LEU A 104 -12.864 -3.333 -6.682 1.00 0.24 O ATOM 1598 CB LEU A 104 -10.312 -2.268 -7.759 1.00 0.19 C ATOM 1599 CG LEU A 104 -9.272 -1.431 -8.513 1.00 0.35 C ATOM 1600 CD1 LEU A 104 -7.889 -2.058 -8.313 1.00 0.33 C ATOM 1601 CD2 LEU A 104 -9.611 -1.427 -10.009 1.00 0.57 C ATOM 0 H LEU A 104 -11.076 0.247 -7.493 1.00 0.24 H new ATOM 0 HA LEU A 104 -12.101 -2.136 -8.976 1.00 0.23 H new ATOM 0 HB2 LEU A 104 -10.108 -2.239 -6.689 1.00 0.19 H new ATOM 0 HB3 LEU A 104 -10.245 -3.311 -8.068 1.00 0.19 H new ATOM 0 HG LEU A 104 -9.276 -0.409 -8.134 1.00 0.35 H new ATOM 0 HD11 LEU A 104 -7.142 -1.469 -8.846 1.00 0.33 H new ATOM 0 HD12 LEU A 104 -7.647 -2.075 -7.250 1.00 0.33 H new ATOM 0 HD13 LEU A 104 -7.892 -3.077 -8.700 1.00 0.33 H new ATOM 0 HD21 LEU A 104 -8.873 -0.833 -10.548 1.00 0.57 H new ATOM 0 HD22 LEU A 104 -9.600 -2.449 -10.387 1.00 0.57 H new ATOM 0 HD23 LEU A 104 -10.601 -0.996 -10.156 1.00 0.57 H new ATOM 1613 N VAL A 105 -13.202 -1.201 -6.189 1.00 0.17 N ATOM 1614 CA VAL A 105 -14.121 -1.568 -5.062 1.00 0.14 C ATOM 1615 C VAL A 105 -15.104 -2.655 -5.515 1.00 0.12 C ATOM 1616 O VAL A 105 -15.468 -2.604 -6.678 1.00 0.98 O ATOM 1617 CB VAL A 105 -14.900 -0.329 -4.618 1.00 0.17 C ATOM 1618 CG1 VAL A 105 -15.896 0.057 -5.713 1.00 0.17 C ATOM 1619 CG2 VAL A 105 -15.666 -0.638 -3.325 1.00 0.17 C ATOM 1620 OXT VAL A 105 -15.431 -3.473 -4.671 1.00 1.03 O ATOM 0 H VAL A 105 -13.057 -0.202 -6.334 1.00 0.17 H new ATOM 0 HA VAL A 105 -13.530 -1.949 -4.229 1.00 0.14 H new ATOM 0 HB VAL A 105 -14.206 0.493 -4.441 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.454 0.940 -5.402 1.00 0.17 H new ATOM 0 HG12 VAL A 105 -15.357 0.275 -6.635 1.00 0.17 H new ATOM 0 HG13 VAL A 105 -16.587 -0.768 -5.883 1.00 0.17 H new ATOM 0 HG21 VAL A 105 -16.220 0.246 -3.010 1.00 0.17 H new ATOM 0 HG22 VAL A 105 -16.361 -1.459 -3.501 1.00 0.17 H new ATOM 0 HG23 VAL A 105 -14.961 -0.921 -2.543 1.00 0.17 H new