USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1151 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 65 ASN : amide:sc= -1.68 K(o=-2.2,f=-3.2!) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.51 X(o=-2.2,f=-2.1) USER MOD Set 2.1: A 26 SER OG : rot -150:sc= -0.578 USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.444 X(o=-1,f=-1) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.904 K(o=1.9,f=-1.6) USER MOD Set 3.2: A 46 TYR OH : rot -127:sc= 0.966 USER MOD Set 4.1: A 9 THR OG1 : rot 180:sc= -0.0887 USER MOD Set 4.2: A 42 MET CE :methyl -171:sc= -0.24 (180deg=-0.0687) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 7 GLN : amide:sc= -0.677 K(o=-0.68,f=-6.9!) USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.35 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0858) USER MOD Single : A 14 THR OG1 : rot -92:sc= -0.161 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.0092) USER MOD Single : A 21 SER OG : rot -170:sc= -0.673 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -3.15 X(o=-3.1,f=-3.4) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.0988 (180deg=-0.581) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -124:sc= -2.91! (180deg=-6.65!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00543 USER MOD Single : A 64 MET CE :methyl -172:sc= 0 (180deg=-0.126) USER MOD Single : A 70 GLN : amide:sc=-0.00237 X(o=-0.0024,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.79) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0298 (180deg=-0.223) USER MOD Single : A 78 GLN : amide:sc= -0.0498 X(o=-0.05,f=0.32) USER MOD Single : A 80 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 82 SER OG : rot 75:sc= 1.05 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -0.206 (180deg=-1.13) USER MOD Single : A 95 ASN : amide:sc= -5.73! C(o=-5.7!,f=-9!) USER MOD Single : A 96 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.32) USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0492) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.3!) USER MOD Single : A 114 LYS NZ :NH3+ -138:sc= 0.102 (180deg=-0.0431) USER MOD Single : A 117 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.3) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 159:sc= -0.0387 (180deg=-0.291) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.609 K(o=-0.61,f=-1.5!) USER MOD Single : A 130 SER OG : rot 155:sc= -0.333 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 5.474 -2.199 -4.816 1.00 62.41 N ATOM 2 CA ALA A 2 6.644 -3.046 -5.018 1.00 12.42 C ATOM 3 C ALA A 2 6.886 -3.944 -3.810 1.00 3.13 C ATOM 4 O ALA A 2 8.002 -4.413 -3.587 1.00 25.44 O ATOM 5 CB ALA A 2 7.871 -2.191 -5.298 1.00 23.43 C ATOM 0 HA ALA A 2 6.456 -3.685 -5.880 1.00 12.42 H new ATOM 0 HB1 ALA A 2 8.737 -2.836 -5.447 1.00 23.43 H new ATOM 0 HB2 ALA A 2 7.703 -1.596 -6.196 1.00 23.43 H new ATOM 0 HB3 ALA A 2 8.053 -1.528 -4.452 1.00 23.43 H new ATOM 11 N PHE A 3 5.835 -4.179 -3.032 1.00 54.21 N ATOM 12 CA PHE A 3 5.934 -5.020 -1.845 1.00 0.20 C ATOM 13 C PHE A 3 4.637 -5.789 -1.613 1.00 52.01 C ATOM 14 O PHE A 3 3.668 -5.631 -2.356 1.00 32.33 O ATOM 15 CB PHE A 3 6.262 -4.168 -0.617 1.00 33.23 C ATOM 16 CG PHE A 3 5.105 -3.341 -0.135 1.00 54.50 C ATOM 17 CD1 PHE A 3 4.613 -2.299 -0.905 1.00 75.22 C ATOM 18 CD2 PHE A 3 4.509 -3.604 1.088 1.00 4.42 C ATOM 19 CE1 PHE A 3 3.548 -1.536 -0.465 1.00 55.21 C ATOM 20 CE2 PHE A 3 3.444 -2.844 1.533 1.00 30.03 C ATOM 21 CZ PHE A 3 2.963 -1.808 0.756 1.00 23.13 C ATOM 0 H PHE A 3 4.904 -3.799 -3.202 1.00 54.21 H new ATOM 0 HA PHE A 3 6.738 -5.739 -2.005 1.00 0.20 H new ATOM 0 HB2 PHE A 3 6.593 -4.821 0.191 1.00 33.23 H new ATOM 0 HB3 PHE A 3 7.096 -3.508 -0.855 1.00 33.23 H new ATOM 0 HD1 PHE A 3 5.067 -2.081 -1.860 1.00 75.22 H new ATOM 0 HD2 PHE A 3 4.881 -4.412 1.700 1.00 4.42 H new ATOM 0 HE1 PHE A 3 3.174 -0.728 -1.076 1.00 55.21 H new ATOM 0 HE2 PHE A 3 2.988 -3.060 2.488 1.00 30.03 H new ATOM 0 HZ PHE A 3 2.132 -1.212 1.103 1.00 23.13 H new ATOM 31 N SER A 4 4.627 -6.622 -0.578 1.00 31.25 N ATOM 32 CA SER A 4 3.451 -7.420 -0.249 1.00 41.14 C ATOM 33 C SER A 4 3.102 -7.290 1.230 1.00 23.32 C ATOM 34 O SER A 4 3.747 -7.896 2.087 1.00 51.45 O ATOM 35 CB SER A 4 3.691 -8.889 -0.602 1.00 31.22 C ATOM 36 OG SER A 4 3.662 -9.089 -2.004 1.00 42.55 O ATOM 0 H SER A 4 5.420 -6.762 0.048 1.00 31.25 H new ATOM 0 HA SER A 4 2.612 -7.045 -0.836 1.00 41.14 H new ATOM 0 HB2 SER A 4 4.655 -9.208 -0.206 1.00 31.22 H new ATOM 0 HB3 SER A 4 2.930 -9.509 -0.127 1.00 31.22 H new ATOM 0 HG SER A 4 3.820 -10.036 -2.203 1.00 42.55 H new ATOM 42 N SER A 5 2.077 -6.496 1.523 1.00 64.22 N ATOM 43 CA SER A 5 1.644 -6.283 2.899 1.00 41.03 C ATOM 44 C SER A 5 1.324 -7.610 3.579 1.00 22.44 C ATOM 45 O SER A 5 1.400 -7.727 4.802 1.00 41.40 O ATOM 46 CB SER A 5 0.417 -5.370 2.934 1.00 72.24 C ATOM 47 OG SER A 5 -0.018 -5.151 4.264 1.00 33.23 O ATOM 0 H SER A 5 1.531 -5.990 0.826 1.00 64.22 H new ATOM 0 HA SER A 5 2.460 -5.804 3.441 1.00 41.03 H new ATOM 0 HB2 SER A 5 0.656 -4.416 2.465 1.00 72.24 H new ATOM 0 HB3 SER A 5 -0.390 -5.817 2.353 1.00 72.24 H new ATOM 0 HG SER A 5 -0.802 -4.563 4.259 1.00 33.23 H new ATOM 53 N GLU A 6 0.966 -8.608 2.777 1.00 23.44 N ATOM 54 CA GLU A 6 0.634 -9.928 3.302 1.00 11.43 C ATOM 55 C GLU A 6 1.820 -10.530 4.050 1.00 33.15 C ATOM 56 O GLU A 6 1.644 -11.270 5.018 1.00 63.11 O ATOM 57 CB GLU A 6 0.206 -10.860 2.167 1.00 43.22 C ATOM 58 CG GLU A 6 -0.636 -12.037 2.630 1.00 5.11 C ATOM 59 CD GLU A 6 -1.500 -12.608 1.523 1.00 43.25 C ATOM 60 OE1 GLU A 6 -2.332 -11.856 0.973 1.00 42.22 O ATOM 61 OE2 GLU A 6 -1.345 -13.806 1.206 1.00 45.53 O ATOM 0 H GLU A 6 0.898 -8.528 1.762 1.00 23.44 H new ATOM 0 HA GLU A 6 -0.195 -9.815 4.001 1.00 11.43 H new ATOM 0 HB2 GLU A 6 -0.359 -10.287 1.431 1.00 43.22 H new ATOM 0 HB3 GLU A 6 1.096 -11.237 1.663 1.00 43.22 H new ATOM 0 HG2 GLU A 6 0.019 -12.819 3.014 1.00 5.11 H new ATOM 0 HG3 GLU A 6 -1.273 -11.721 3.456 1.00 5.11 H new ATOM 68 N GLN A 7 3.026 -10.207 3.594 1.00 35.31 N ATOM 69 CA GLN A 7 4.240 -10.718 4.219 1.00 0.42 C ATOM 70 C GLN A 7 4.409 -10.149 5.624 1.00 21.44 C ATOM 71 O GLN A 7 4.668 -10.886 6.576 1.00 32.32 O ATOM 72 CB GLN A 7 5.462 -10.372 3.366 1.00 32.01 C ATOM 73 CG GLN A 7 5.979 -11.540 2.542 1.00 33.32 C ATOM 74 CD GLN A 7 6.723 -12.561 3.380 1.00 63.00 C ATOM 75 OE1 GLN A 7 6.740 -12.480 4.609 1.00 41.45 O ATOM 76 NE2 GLN A 7 7.345 -13.530 2.718 1.00 34.44 N ATOM 0 H GLN A 7 3.188 -9.594 2.795 1.00 35.31 H new ATOM 0 HA GLN A 7 4.152 -11.802 4.293 1.00 0.42 H new ATOM 0 HB2 GLN A 7 5.207 -9.551 2.696 1.00 32.01 H new ATOM 0 HB3 GLN A 7 6.260 -10.016 4.017 1.00 32.01 H new ATOM 0 HG2 GLN A 7 5.141 -12.027 2.043 1.00 33.32 H new ATOM 0 HG3 GLN A 7 6.641 -11.164 1.762 1.00 33.32 H new ATOM 0 HE21 GLN A 7 7.305 -13.559 1.699 1.00 34.44 H new ATOM 0 HE22 GLN A 7 7.863 -14.245 3.228 1.00 34.44 H new ATOM 85 N PHE A 8 4.262 -8.834 5.747 1.00 33.42 N ATOM 86 CA PHE A 8 4.399 -8.167 7.036 1.00 4.24 C ATOM 87 C PHE A 8 3.420 -8.743 8.055 1.00 63.42 C ATOM 88 O PHE A 8 3.778 -8.990 9.207 1.00 13.44 O ATOM 89 CB PHE A 8 4.166 -6.662 6.883 1.00 63.40 C ATOM 90 CG PHE A 8 4.352 -5.894 8.160 1.00 40.20 C ATOM 91 CD1 PHE A 8 5.610 -5.753 8.723 1.00 64.43 C ATOM 92 CD2 PHE A 8 3.268 -5.311 8.797 1.00 25.23 C ATOM 93 CE1 PHE A 8 5.784 -5.047 9.898 1.00 32.31 C ATOM 94 CE2 PHE A 8 3.436 -4.603 9.973 1.00 72.52 C ATOM 95 CZ PHE A 8 4.695 -4.471 10.523 1.00 5.42 C ATOM 0 H PHE A 8 4.048 -8.209 4.970 1.00 33.42 H new ATOM 0 HA PHE A 8 5.413 -8.336 7.397 1.00 4.24 H new ATOM 0 HB2 PHE A 8 4.851 -6.271 6.130 1.00 63.40 H new ATOM 0 HB3 PHE A 8 3.155 -6.495 6.512 1.00 63.40 H new ATOM 0 HD1 PHE A 8 6.465 -6.200 8.238 1.00 64.43 H new ATOM 0 HD2 PHE A 8 2.281 -5.411 8.370 1.00 25.23 H new ATOM 0 HE1 PHE A 8 6.770 -4.946 10.327 1.00 32.31 H new ATOM 0 HE2 PHE A 8 2.583 -4.154 10.460 1.00 72.52 H new ATOM 0 HZ PHE A 8 4.829 -3.918 11.441 1.00 5.42 H new ATOM 105 N THR A 9 2.182 -8.956 7.621 1.00 33.43 N ATOM 106 CA THR A 9 1.150 -9.502 8.494 1.00 53.10 C ATOM 107 C THR A 9 1.399 -10.977 8.784 1.00 31.45 C ATOM 108 O THR A 9 1.431 -11.397 9.942 1.00 41.20 O ATOM 109 CB THR A 9 -0.252 -9.342 7.875 1.00 3.30 C ATOM 110 OG1 THR A 9 -0.332 -8.105 7.157 1.00 63.51 O ATOM 111 CG2 THR A 9 -1.326 -9.379 8.951 1.00 31.43 C ATOM 0 H THR A 9 1.869 -8.759 6.670 1.00 33.43 H new ATOM 0 HA THR A 9 1.194 -8.939 9.426 1.00 53.10 H new ATOM 0 HB THR A 9 -0.419 -10.172 7.189 1.00 3.30 H new ATOM 0 HG1 THR A 9 -1.225 -8.011 6.765 1.00 63.51 H new ATOM 0 HG21 THR A 9 -2.307 -9.264 8.490 1.00 31.43 H new ATOM 0 HG22 THR A 9 -1.282 -10.333 9.477 1.00 31.43 H new ATOM 0 HG23 THR A 9 -1.160 -8.567 9.659 1.00 31.43 H new ATOM 119 N THR A 10 1.576 -11.763 7.726 1.00 12.33 N ATOM 120 CA THR A 10 1.822 -13.192 7.868 1.00 71.11 C ATOM 121 C THR A 10 3.046 -13.456 8.738 1.00 54.12 C ATOM 122 O THR A 10 3.111 -14.459 9.449 1.00 73.15 O ATOM 123 CB THR A 10 2.025 -13.866 6.498 1.00 44.44 C ATOM 124 OG1 THR A 10 0.866 -13.672 5.680 1.00 70.33 O ATOM 125 CG2 THR A 10 2.295 -15.354 6.661 1.00 53.12 C ATOM 0 H THR A 10 1.553 -11.433 6.761 1.00 12.33 H new ATOM 0 HA THR A 10 0.941 -13.618 8.347 1.00 71.11 H new ATOM 0 HB THR A 10 2.889 -13.408 6.017 1.00 44.44 H new ATOM 0 HG1 THR A 10 0.805 -12.730 5.418 1.00 70.33 H new ATOM 0 HG21 THR A 10 2.435 -15.808 5.680 1.00 53.12 H new ATOM 0 HG22 THR A 10 3.195 -15.497 7.259 1.00 53.12 H new ATOM 0 HG23 THR A 10 1.449 -15.825 7.161 1.00 53.12 H new ATOM 133 N LYS A 11 4.015 -12.549 8.678 1.00 52.10 N ATOM 134 CA LYS A 11 5.237 -12.682 9.462 1.00 50.32 C ATOM 135 C LYS A 11 4.987 -12.328 10.924 1.00 14.33 C ATOM 136 O LYS A 11 5.388 -13.062 11.829 1.00 54.53 O ATOM 137 CB LYS A 11 6.335 -11.782 8.889 1.00 32.42 C ATOM 138 CG LYS A 11 6.970 -12.329 7.623 1.00 60.45 C ATOM 139 CD LYS A 11 7.849 -13.534 7.915 1.00 74.23 C ATOM 140 CE LYS A 11 8.875 -13.756 6.814 1.00 53.20 C ATOM 141 NZ LYS A 11 9.974 -12.753 6.871 1.00 64.42 N ATOM 0 H LYS A 11 3.978 -11.713 8.094 1.00 52.10 H new ATOM 0 HA LYS A 11 5.562 -13.721 9.409 1.00 50.32 H new ATOM 0 HB2 LYS A 11 5.914 -10.799 8.679 1.00 32.42 H new ATOM 0 HB3 LYS A 11 7.110 -11.643 9.643 1.00 32.42 H new ATOM 0 HG2 LYS A 11 6.190 -12.610 6.916 1.00 60.45 H new ATOM 0 HG3 LYS A 11 7.566 -11.550 7.148 1.00 60.45 H new ATOM 0 HD2 LYS A 11 8.361 -13.390 8.867 1.00 74.23 H new ATOM 0 HD3 LYS A 11 7.227 -14.423 8.018 1.00 74.23 H new ATOM 0 HE2 LYS A 11 9.293 -14.759 6.904 1.00 53.20 H new ATOM 0 HE3 LYS A 11 8.383 -13.701 5.843 1.00 53.20 H new ATOM 0 HZ1 LYS A 11 10.756 -13.060 6.258 1.00 64.42 H new ATOM 0 HZ2 LYS A 11 9.620 -11.831 6.545 1.00 64.42 H new ATOM 0 HZ3 LYS A 11 10.314 -12.666 7.850 1.00 64.42 H new ATOM 155 N LEU A 12 4.321 -11.201 11.150 1.00 53.44 N ATOM 156 CA LEU A 12 4.015 -10.750 12.503 1.00 21.01 C ATOM 157 C LEU A 12 3.341 -11.858 13.307 1.00 44.33 C ATOM 158 O LEU A 12 3.539 -11.969 14.516 1.00 51.42 O ATOM 159 CB LEU A 12 3.113 -9.515 12.459 1.00 21.32 C ATOM 160 CG LEU A 12 3.822 -8.172 12.282 1.00 21.21 C ATOM 161 CD1 LEU A 12 2.830 -7.095 11.873 1.00 52.30 C ATOM 162 CD2 LEU A 12 4.544 -7.777 13.562 1.00 15.04 C ATOM 0 H LEU A 12 3.982 -10.582 10.413 1.00 53.44 H new ATOM 0 HA LEU A 12 4.953 -10.490 12.993 1.00 21.01 H new ATOM 0 HB2 LEU A 12 2.402 -9.638 11.642 1.00 21.32 H new ATOM 0 HB3 LEU A 12 2.535 -9.479 13.382 1.00 21.32 H new ATOM 0 HG LEU A 12 4.562 -8.275 11.489 1.00 21.21 H new ATOM 0 HD11 LEU A 12 3.353 -6.146 11.752 1.00 52.30 H new ATOM 0 HD12 LEU A 12 2.359 -7.373 10.930 1.00 52.30 H new ATOM 0 HD13 LEU A 12 2.066 -6.992 12.644 1.00 52.30 H new ATOM 0 HD21 LEU A 12 5.043 -6.819 13.417 1.00 15.04 H new ATOM 0 HD22 LEU A 12 3.823 -7.692 14.375 1.00 15.04 H new ATOM 0 HD23 LEU A 12 5.284 -8.537 13.812 1.00 15.04 H new ATOM 174 N ASN A 13 2.547 -12.677 12.625 1.00 12.42 N ATOM 175 CA ASN A 13 1.845 -13.777 13.275 1.00 20.45 C ATOM 176 C ASN A 13 2.781 -14.960 13.504 1.00 4.12 C ATOM 177 O ASN A 13 2.640 -15.699 14.479 1.00 63.30 O ATOM 178 CB ASN A 13 0.648 -14.217 12.430 1.00 13.43 C ATOM 179 CG ASN A 13 -0.166 -13.041 11.925 1.00 1.32 C ATOM 180 OD1 ASN A 13 -0.281 -12.016 12.598 1.00 31.44 O ATOM 181 ND2 ASN A 13 -0.735 -13.183 10.734 1.00 32.40 N ATOM 0 H ASN A 13 2.374 -12.600 11.623 1.00 12.42 H new ATOM 0 HA ASN A 13 1.488 -13.425 14.243 1.00 20.45 H new ATOM 0 HB2 ASN A 13 1.001 -14.802 11.581 1.00 13.43 H new ATOM 0 HB3 ASN A 13 0.008 -14.870 13.023 1.00 13.43 H new ATOM 0 HD21 ASN A 13 -1.294 -12.425 10.342 1.00 32.40 H new ATOM 0 HD22 ASN A 13 -0.613 -14.050 10.211 1.00 32.40 H new ATOM 188 N THR A 14 3.740 -15.133 12.599 1.00 55.02 N ATOM 189 CA THR A 14 4.699 -16.225 12.701 1.00 61.23 C ATOM 190 C THR A 14 6.012 -15.748 13.311 1.00 30.43 C ATOM 191 O THR A 14 7.055 -16.381 13.139 1.00 73.21 O ATOM 192 CB THR A 14 4.985 -16.852 11.323 1.00 34.41 C ATOM 193 OG1 THR A 14 5.556 -15.873 10.448 1.00 73.51 O ATOM 194 CG2 THR A 14 3.710 -17.409 10.707 1.00 12.31 C ATOM 0 H THR A 14 3.873 -14.530 11.787 1.00 55.02 H new ATOM 0 HA THR A 14 4.252 -16.979 13.350 1.00 61.23 H new ATOM 0 HB THR A 14 5.691 -17.671 11.460 1.00 34.41 H new ATOM 0 HG1 THR A 14 4.843 -15.432 9.941 1.00 73.51 H new ATOM 0 HG21 THR A 14 3.937 -17.846 9.735 1.00 12.31 H new ATOM 0 HG22 THR A 14 3.294 -18.175 11.362 1.00 12.31 H new ATOM 0 HG23 THR A 14 2.985 -16.605 10.583 1.00 12.31 H new ATOM 202 N LEU A 15 5.955 -14.630 14.026 1.00 71.02 N ATOM 203 CA LEU A 15 7.141 -14.068 14.664 1.00 74.34 C ATOM 204 C LEU A 15 7.389 -14.719 16.021 1.00 52.13 C ATOM 205 O LEU A 15 6.458 -14.931 16.797 1.00 71.00 O ATOM 206 CB LEU A 15 6.985 -12.556 14.831 1.00 5.31 C ATOM 207 CG LEU A 15 7.621 -11.691 13.742 1.00 72.13 C ATOM 208 CD1 LEU A 15 7.342 -10.218 13.999 1.00 71.44 C ATOM 209 CD2 LEU A 15 9.119 -11.946 13.664 1.00 30.51 C ATOM 0 H LEU A 15 5.100 -14.094 14.179 1.00 71.02 H new ATOM 0 HA LEU A 15 7.999 -14.270 14.023 1.00 74.34 H new ATOM 0 HB2 LEU A 15 5.921 -12.324 14.876 1.00 5.31 H new ATOM 0 HB3 LEU A 15 7.415 -12.270 15.791 1.00 5.31 H new ATOM 0 HG LEU A 15 7.176 -11.962 12.784 1.00 72.13 H new ATOM 0 HD11 LEU A 15 7.802 -9.618 13.214 1.00 71.44 H new ATOM 0 HD12 LEU A 15 6.266 -10.047 14.002 1.00 71.44 H new ATOM 0 HD13 LEU A 15 7.758 -9.932 14.965 1.00 71.44 H new ATOM 0 HD21 LEU A 15 9.554 -11.322 12.884 1.00 30.51 H new ATOM 0 HD22 LEU A 15 9.580 -11.704 14.622 1.00 30.51 H new ATOM 0 HD23 LEU A 15 9.298 -12.996 13.431 1.00 30.51 H new ATOM 221 N GLU A 16 8.651 -15.031 16.300 1.00 55.12 N ATOM 222 CA GLU A 16 9.020 -15.656 17.564 1.00 3.03 C ATOM 223 C GLU A 16 10.068 -14.823 18.297 1.00 63.11 C ATOM 224 O GLU A 16 10.602 -13.857 17.751 1.00 71.42 O ATOM 225 CB GLU A 16 9.554 -17.070 17.323 1.00 11.41 C ATOM 226 CG GLU A 16 8.485 -18.146 17.405 1.00 34.05 C ATOM 227 CD GLU A 16 8.124 -18.502 18.835 1.00 65.43 C ATOM 228 OE1 GLU A 16 9.037 -18.539 19.686 1.00 44.22 O ATOM 229 OE2 GLU A 16 6.929 -18.745 19.102 1.00 53.33 O ATOM 0 H GLU A 16 9.434 -14.861 15.668 1.00 55.12 H new ATOM 0 HA GLU A 16 8.127 -15.714 18.186 1.00 3.03 H new ATOM 0 HB2 GLU A 16 10.023 -17.110 16.340 1.00 11.41 H new ATOM 0 HB3 GLU A 16 10.332 -17.286 18.056 1.00 11.41 H new ATOM 0 HG2 GLU A 16 7.591 -17.805 16.883 1.00 34.05 H new ATOM 0 HG3 GLU A 16 8.834 -19.040 16.889 1.00 34.05 H new ATOM 236 N ASP A 17 10.357 -15.204 19.536 1.00 1.14 N ATOM 237 CA ASP A 17 11.341 -14.494 20.345 1.00 42.52 C ATOM 238 C ASP A 17 12.752 -14.991 20.045 1.00 12.11 C ATOM 239 O ASP A 17 13.256 -15.897 20.709 1.00 14.43 O ATOM 240 CB ASP A 17 11.031 -14.667 21.833 1.00 43.25 C ATOM 241 CG ASP A 17 10.907 -16.124 22.232 1.00 11.11 C ATOM 242 OD1 ASP A 17 9.842 -16.722 21.971 1.00 32.15 O ATOM 243 OD2 ASP A 17 11.875 -16.666 22.805 1.00 72.43 O ATOM 0 H ASP A 17 9.924 -16.001 20.003 1.00 1.14 H new ATOM 0 HA ASP A 17 11.287 -13.435 20.092 1.00 42.52 H new ATOM 0 HB2 ASP A 17 11.819 -14.198 22.422 1.00 43.25 H new ATOM 0 HB3 ASP A 17 10.103 -14.148 22.071 1.00 43.25 H new ATOM 248 N SER A 18 13.383 -14.393 19.040 1.00 65.22 N ATOM 249 CA SER A 18 14.734 -14.779 18.649 1.00 43.24 C ATOM 250 C SER A 18 15.529 -13.567 18.172 1.00 13.41 C ATOM 251 O SER A 18 14.998 -12.697 17.482 1.00 44.24 O ATOM 252 CB SER A 18 14.686 -15.837 17.545 1.00 72.02 C ATOM 253 OG SER A 18 14.816 -17.141 18.083 1.00 60.51 O ATOM 0 H SER A 18 12.981 -13.640 18.482 1.00 65.22 H new ATOM 0 HA SER A 18 15.232 -15.198 19.523 1.00 43.24 H new ATOM 0 HB2 SER A 18 13.745 -15.757 17.001 1.00 72.02 H new ATOM 0 HB3 SER A 18 15.486 -15.655 16.827 1.00 72.02 H new ATOM 0 HG SER A 18 14.781 -17.799 17.358 1.00 60.51 H new ATOM 259 N GLN A 19 16.803 -13.518 18.547 1.00 40.34 N ATOM 260 CA GLN A 19 17.671 -12.412 18.158 1.00 31.24 C ATOM 261 C GLN A 19 17.785 -12.317 16.641 1.00 50.34 C ATOM 262 O GLN A 19 17.764 -11.224 16.075 1.00 15.02 O ATOM 263 CB GLN A 19 19.060 -12.585 18.776 1.00 35.02 C ATOM 264 CG GLN A 19 19.178 -12.007 20.177 1.00 23.23 C ATOM 265 CD GLN A 19 19.302 -10.496 20.177 1.00 61.31 C ATOM 266 OE1 GLN A 19 20.405 -9.952 20.117 1.00 21.22 O ATOM 267 NE2 GLN A 19 18.168 -9.809 20.244 1.00 72.13 N ATOM 0 H GLN A 19 17.257 -14.230 19.119 1.00 40.34 H new ATOM 0 HA GLN A 19 17.228 -11.488 18.529 1.00 31.24 H new ATOM 0 HB2 GLN A 19 19.305 -13.647 18.808 1.00 35.02 H new ATOM 0 HB3 GLN A 19 19.798 -12.107 18.131 1.00 35.02 H new ATOM 0 HG2 GLN A 19 18.303 -12.296 20.760 1.00 23.23 H new ATOM 0 HG3 GLN A 19 20.048 -12.439 20.672 1.00 23.23 H new ATOM 0 HE21 GLN A 19 17.276 -10.301 20.292 1.00 72.13 H new ATOM 0 HE22 GLN A 19 18.189 -8.789 20.247 1.00 72.13 H new ATOM 276 N GLU A 20 17.907 -13.468 15.988 1.00 74.25 N ATOM 277 CA GLU A 20 18.025 -13.513 14.535 1.00 43.11 C ATOM 278 C GLU A 20 16.673 -13.270 13.871 1.00 42.43 C ATOM 279 O GLU A 20 16.597 -12.687 12.789 1.00 72.10 O ATOM 280 CB GLU A 20 18.590 -14.863 14.088 1.00 35.34 C ATOM 281 CG GLU A 20 20.108 -14.920 14.093 1.00 31.35 C ATOM 282 CD GLU A 20 20.684 -15.011 15.493 1.00 14.54 C ATOM 283 OE1 GLU A 20 19.948 -15.428 16.412 1.00 2.52 O ATOM 284 OE2 GLU A 20 21.871 -14.664 15.669 1.00 34.15 O ATOM 0 H GLU A 20 17.927 -14.381 16.442 1.00 74.25 H new ATOM 0 HA GLU A 20 18.709 -12.722 14.228 1.00 43.11 H new ATOM 0 HB2 GLU A 20 18.204 -15.644 14.743 1.00 35.34 H new ATOM 0 HB3 GLU A 20 18.230 -15.083 13.083 1.00 35.34 H new ATOM 0 HG2 GLU A 20 20.437 -15.781 13.512 1.00 31.35 H new ATOM 0 HG3 GLU A 20 20.503 -14.032 13.599 1.00 31.35 H new ATOM 291 N SER A 21 15.609 -13.721 14.527 1.00 53.44 N ATOM 292 CA SER A 21 14.259 -13.556 13.999 1.00 63.44 C ATOM 293 C SER A 21 13.903 -12.079 13.868 1.00 43.42 C ATOM 294 O SER A 21 13.440 -11.631 12.818 1.00 21.32 O ATOM 295 CB SER A 21 13.246 -14.259 14.904 1.00 13.31 C ATOM 296 OG SER A 21 13.318 -15.666 14.755 1.00 72.11 O ATOM 0 H SER A 21 15.655 -14.203 15.425 1.00 53.44 H new ATOM 0 HA SER A 21 14.225 -14.008 13.008 1.00 63.44 H new ATOM 0 HB2 SER A 21 13.435 -13.990 15.943 1.00 13.31 H new ATOM 0 HB3 SER A 21 12.240 -13.916 14.664 1.00 13.31 H new ATOM 0 HG SER A 21 12.562 -16.083 15.219 1.00 72.11 H new ATOM 302 N ILE A 22 14.123 -11.327 14.941 1.00 50.51 N ATOM 303 CA ILE A 22 13.827 -9.899 14.946 1.00 33.34 C ATOM 304 C ILE A 22 14.688 -9.155 13.932 1.00 71.13 C ATOM 305 O ILE A 22 14.239 -8.194 13.307 1.00 32.11 O ATOM 306 CB ILE A 22 14.048 -9.284 16.341 1.00 44.23 C ATOM 307 CG1 ILE A 22 13.182 -9.997 17.381 1.00 55.44 C ATOM 308 CG2 ILE A 22 13.740 -7.794 16.317 1.00 32.21 C ATOM 309 CD1 ILE A 22 11.697 -9.824 17.150 1.00 35.10 C ATOM 0 H ILE A 22 14.505 -11.682 15.818 1.00 50.51 H new ATOM 0 HA ILE A 22 12.777 -9.793 14.673 1.00 33.34 H new ATOM 0 HB ILE A 22 15.094 -9.415 16.618 1.00 44.23 H new ATOM 0 HG12 ILE A 22 13.421 -11.060 17.374 1.00 55.44 H new ATOM 0 HG13 ILE A 22 13.434 -9.620 18.372 1.00 55.44 H new ATOM 0 HG21 ILE A 22 13.901 -7.373 17.310 1.00 32.21 H new ATOM 0 HG22 ILE A 22 14.397 -7.298 15.602 1.00 32.21 H new ATOM 0 HG23 ILE A 22 12.702 -7.642 16.022 1.00 32.21 H new ATOM 0 HD11 ILE A 22 11.144 -10.356 17.924 1.00 35.10 H new ATOM 0 HD12 ILE A 22 11.444 -8.764 17.186 1.00 35.10 H new ATOM 0 HD13 ILE A 22 11.431 -10.227 16.173 1.00 35.10 H new ATOM 321 N SER A 23 15.928 -9.607 13.771 1.00 35.12 N ATOM 322 CA SER A 23 16.853 -8.983 12.833 1.00 3.02 C ATOM 323 C SER A 23 16.498 -9.348 11.395 1.00 12.21 C ATOM 324 O SER A 23 16.752 -8.580 10.467 1.00 13.22 O ATOM 325 CB SER A 23 18.290 -9.412 13.140 1.00 55.50 C ATOM 326 OG SER A 23 19.224 -8.556 12.505 1.00 13.31 O ATOM 0 H SER A 23 16.315 -10.403 14.278 1.00 35.12 H new ATOM 0 HA SER A 23 16.771 -7.902 12.946 1.00 3.02 H new ATOM 0 HB2 SER A 23 18.454 -9.399 14.217 1.00 55.50 H new ATOM 0 HB3 SER A 23 18.446 -10.438 12.806 1.00 55.50 H new ATOM 0 HG SER A 23 20.134 -8.850 12.718 1.00 13.31 H new ATOM 332 N SER A 24 15.909 -10.526 11.219 1.00 75.15 N ATOM 333 CA SER A 24 15.521 -10.996 9.894 1.00 70.13 C ATOM 334 C SER A 24 14.387 -10.147 9.326 1.00 23.32 C ATOM 335 O SER A 24 14.460 -9.672 8.193 1.00 20.53 O ATOM 336 CB SER A 24 15.093 -12.464 9.955 1.00 41.30 C ATOM 337 OG SER A 24 14.752 -12.950 8.668 1.00 12.43 O ATOM 0 H SER A 24 15.690 -11.173 11.977 1.00 75.15 H new ATOM 0 HA SER A 24 16.385 -10.904 9.236 1.00 70.13 H new ATOM 0 HB2 SER A 24 15.902 -13.065 10.371 1.00 41.30 H new ATOM 0 HB3 SER A 24 14.240 -12.570 10.625 1.00 41.30 H new ATOM 0 HG SER A 24 14.484 -13.890 8.734 1.00 12.43 H new ATOM 343 N ALA A 25 13.340 -9.961 10.123 1.00 61.20 N ATOM 344 CA ALA A 25 12.191 -9.169 9.702 1.00 4.53 C ATOM 345 C ALA A 25 12.571 -7.702 9.527 1.00 61.14 C ATOM 346 O ALA A 25 12.140 -7.049 8.576 1.00 22.03 O ATOM 347 CB ALA A 25 11.059 -9.306 10.709 1.00 55.44 C ATOM 0 H ALA A 25 13.264 -10.348 11.064 1.00 61.20 H new ATOM 0 HA ALA A 25 11.853 -9.548 8.738 1.00 4.53 H new ATOM 0 HB1 ALA A 25 10.207 -8.709 10.382 1.00 55.44 H new ATOM 0 HB2 ALA A 25 10.762 -10.352 10.783 1.00 55.44 H new ATOM 0 HB3 ALA A 25 11.395 -8.955 11.684 1.00 55.44 H new ATOM 353 N SER A 26 13.380 -7.190 10.449 1.00 35.32 N ATOM 354 CA SER A 26 13.813 -5.799 10.398 1.00 25.15 C ATOM 355 C SER A 26 14.473 -5.484 9.059 1.00 33.21 C ATOM 356 O SER A 26 14.193 -4.456 8.442 1.00 32.20 O ATOM 357 CB SER A 26 14.787 -5.505 11.541 1.00 44.40 C ATOM 358 OG SER A 26 15.175 -4.142 11.542 1.00 43.42 O ATOM 0 H SER A 26 13.749 -7.718 11.240 1.00 35.32 H new ATOM 0 HA SER A 26 12.933 -5.165 10.507 1.00 25.15 H new ATOM 0 HB2 SER A 26 14.320 -5.754 12.494 1.00 44.40 H new ATOM 0 HB3 SER A 26 15.669 -6.138 11.443 1.00 44.40 H new ATOM 0 HG SER A 26 16.081 -4.060 11.907 1.00 43.42 H new ATOM 364 N LYS A 27 15.351 -6.377 8.615 1.00 52.12 N ATOM 365 CA LYS A 27 16.051 -6.198 7.348 1.00 12.44 C ATOM 366 C LYS A 27 15.062 -6.036 6.198 1.00 11.03 C ATOM 367 O LYS A 27 15.293 -5.256 5.274 1.00 31.31 O ATOM 368 CB LYS A 27 16.973 -7.389 7.079 1.00 51.24 C ATOM 369 CG LYS A 27 18.153 -7.472 8.031 1.00 64.13 C ATOM 370 CD LYS A 27 18.703 -8.886 8.115 1.00 30.21 C ATOM 371 CE LYS A 27 20.165 -8.892 8.533 1.00 4.20 C ATOM 372 NZ LYS A 27 20.765 -10.252 8.436 1.00 12.51 N ATOM 0 H LYS A 27 15.595 -7.232 9.114 1.00 52.12 H new ATOM 0 HA LYS A 27 16.651 -5.291 7.418 1.00 12.44 H new ATOM 0 HB2 LYS A 27 16.394 -8.310 7.151 1.00 51.24 H new ATOM 0 HB3 LYS A 27 17.346 -7.326 6.057 1.00 51.24 H new ATOM 0 HG2 LYS A 27 18.939 -6.794 7.698 1.00 64.13 H new ATOM 0 HG3 LYS A 27 17.846 -7.141 9.023 1.00 64.13 H new ATOM 0 HD2 LYS A 27 18.117 -9.464 8.830 1.00 30.21 H new ATOM 0 HD3 LYS A 27 18.598 -9.376 7.147 1.00 30.21 H new ATOM 0 HE2 LYS A 27 20.726 -8.202 7.902 1.00 4.20 H new ATOM 0 HE3 LYS A 27 20.251 -8.529 9.557 1.00 4.20 H new ATOM 0 HZ1 LYS A 27 21.762 -10.213 8.730 1.00 12.51 H new ATOM 0 HZ2 LYS A 27 20.246 -10.905 9.057 1.00 12.51 H new ATOM 0 HZ3 LYS A 27 20.706 -10.588 7.454 1.00 12.51 H new ATOM 386 N TRP A 28 13.961 -6.776 6.263 1.00 50.33 N ATOM 387 CA TRP A 28 12.936 -6.713 5.227 1.00 43.44 C ATOM 388 C TRP A 28 12.208 -5.374 5.263 1.00 54.24 C ATOM 389 O TRP A 28 12.109 -4.682 4.248 1.00 0.13 O ATOM 390 CB TRP A 28 11.936 -7.857 5.400 1.00 51.34 C ATOM 391 CG TRP A 28 10.898 -7.907 4.319 1.00 4.11 C ATOM 392 CD1 TRP A 28 11.111 -8.129 2.989 1.00 71.15 C ATOM 393 CD2 TRP A 28 9.487 -7.729 4.478 1.00 74.22 C ATOM 394 NE1 TRP A 28 9.916 -8.100 2.310 1.00 21.24 N ATOM 395 CE2 TRP A 28 8.905 -7.858 3.201 1.00 15.55 C ATOM 396 CE3 TRP A 28 8.657 -7.476 5.574 1.00 63.32 C ATOM 397 CZ2 TRP A 28 7.533 -7.740 2.994 1.00 12.10 C ATOM 398 CZ3 TRP A 28 7.296 -7.360 5.366 1.00 2.52 C ATOM 399 CH2 TRP A 28 6.745 -7.492 4.085 1.00 74.11 C ATOM 0 H TRP A 28 13.755 -7.426 7.021 1.00 50.33 H new ATOM 0 HA TRP A 28 13.426 -6.813 4.259 1.00 43.44 H new ATOM 0 HB2 TRP A 28 12.477 -8.803 5.419 1.00 51.34 H new ATOM 0 HB3 TRP A 28 11.440 -7.754 6.365 1.00 51.34 H new ATOM 0 HD1 TRP A 28 12.076 -8.302 2.537 1.00 71.15 H new ATOM 0 HE1 TRP A 28 9.801 -8.237 1.306 1.00 21.24 H new ATOM 0 HE3 TRP A 28 9.072 -7.373 6.566 1.00 63.32 H new ATOM 0 HZ2 TRP A 28 7.106 -7.841 2.007 1.00 12.10 H new ATOM 0 HZ3 TRP A 28 6.646 -7.164 6.206 1.00 2.52 H new ATOM 0 HH2 TRP A 28 5.677 -7.396 3.956 1.00 74.11 H new ATOM 410 N LEU A 29 11.699 -5.014 6.435 1.00 15.45 N ATOM 411 CA LEU A 29 10.978 -3.756 6.603 1.00 24.03 C ATOM 412 C LEU A 29 11.850 -2.571 6.198 1.00 74.41 C ATOM 413 O LEU A 29 11.355 -1.576 5.668 1.00 13.41 O ATOM 414 CB LEU A 29 10.523 -3.596 8.055 1.00 43.11 C ATOM 415 CG LEU A 29 9.253 -4.352 8.447 1.00 3.34 C ATOM 416 CD1 LEU A 29 9.342 -4.833 9.887 1.00 21.02 C ATOM 417 CD2 LEU A 29 8.027 -3.472 8.252 1.00 42.22 C ATOM 0 H LEU A 29 11.772 -5.575 7.284 1.00 15.45 H new ATOM 0 HA LEU A 29 10.102 -3.778 5.955 1.00 24.03 H new ATOM 0 HB2 LEU A 29 11.333 -3.924 8.707 1.00 43.11 H new ATOM 0 HB3 LEU A 29 10.366 -2.535 8.251 1.00 43.11 H new ATOM 0 HG LEU A 29 9.157 -5.223 7.799 1.00 3.34 H new ATOM 0 HD11 LEU A 29 8.430 -5.369 10.149 1.00 21.02 H new ATOM 0 HD12 LEU A 29 10.198 -5.499 9.996 1.00 21.02 H new ATOM 0 HD13 LEU A 29 9.462 -3.976 10.550 1.00 21.02 H new ATOM 0 HD21 LEU A 29 7.132 -4.026 8.536 1.00 42.22 H new ATOM 0 HD22 LEU A 29 8.115 -2.582 8.875 1.00 42.22 H new ATOM 0 HD23 LEU A 29 7.954 -3.177 7.205 1.00 42.22 H new ATOM 429 N LEU A 30 13.149 -2.687 6.448 1.00 1.51 N ATOM 430 CA LEU A 30 14.091 -1.626 6.107 1.00 12.21 C ATOM 431 C LEU A 30 14.042 -1.313 4.615 1.00 70.31 C ATOM 432 O LEU A 30 14.349 -0.197 4.193 1.00 31.40 O ATOM 433 CB LEU A 30 15.511 -2.029 6.509 1.00 13.32 C ATOM 434 CG LEU A 30 16.297 -0.998 7.320 1.00 52.32 C ATOM 435 CD1 LEU A 30 16.299 0.348 6.612 1.00 1.53 C ATOM 436 CD2 LEU A 30 15.716 -0.865 8.720 1.00 23.22 C ATOM 0 H LEU A 30 13.574 -3.504 6.885 1.00 1.51 H new ATOM 0 HA LEU A 30 13.805 -0.729 6.657 1.00 12.21 H new ATOM 0 HB2 LEU A 30 15.455 -2.951 7.088 1.00 13.32 H new ATOM 0 HB3 LEU A 30 16.073 -2.255 5.603 1.00 13.32 H new ATOM 0 HG LEU A 30 17.328 -1.342 7.407 1.00 52.32 H new ATOM 0 HD11 LEU A 30 16.863 1.069 7.203 1.00 1.53 H new ATOM 0 HD12 LEU A 30 16.762 0.242 5.631 1.00 1.53 H new ATOM 0 HD13 LEU A 30 15.274 0.698 6.494 1.00 1.53 H new ATOM 0 HD21 LEU A 30 16.288 -0.127 9.283 1.00 23.22 H new ATOM 0 HD22 LEU A 30 14.676 -0.545 8.654 1.00 23.22 H new ATOM 0 HD23 LEU A 30 15.767 -1.828 9.228 1.00 23.22 H new ATOM 448 N LEU A 31 13.653 -2.304 3.821 1.00 74.33 N ATOM 449 CA LEU A 31 13.561 -2.135 2.375 1.00 52.03 C ATOM 450 C LEU A 31 12.148 -1.735 1.962 1.00 50.21 C ATOM 451 O LEU A 31 11.792 -1.806 0.786 1.00 13.11 O ATOM 452 CB LEU A 31 13.965 -3.427 1.663 1.00 25.33 C ATOM 453 CG LEU A 31 15.297 -4.043 2.095 1.00 10.43 C ATOM 454 CD1 LEU A 31 15.541 -5.353 1.364 1.00 25.50 C ATOM 455 CD2 LEU A 31 16.440 -3.069 1.846 1.00 20.51 C ATOM 0 H LEU A 31 13.396 -3.233 4.154 1.00 74.33 H new ATOM 0 HA LEU A 31 14.245 -1.338 2.084 1.00 52.03 H new ATOM 0 HB2 LEU A 31 13.179 -4.165 1.819 1.00 25.33 H new ATOM 0 HB3 LEU A 31 14.009 -3.230 0.592 1.00 25.33 H new ATOM 0 HG LEU A 31 15.250 -4.251 3.164 1.00 10.43 H new ATOM 0 HD11 LEU A 31 16.493 -5.776 1.684 1.00 25.50 H new ATOM 0 HD12 LEU A 31 14.737 -6.053 1.593 1.00 25.50 H new ATOM 0 HD13 LEU A 31 15.568 -5.171 0.290 1.00 25.50 H new ATOM 0 HD21 LEU A 31 17.380 -3.523 2.159 1.00 20.51 H new ATOM 0 HD22 LEU A 31 16.489 -2.829 0.784 1.00 20.51 H new ATOM 0 HD23 LEU A 31 16.271 -2.156 2.417 1.00 20.51 H new ATOM 467 N GLN A 32 11.349 -1.312 2.937 1.00 64.43 N ATOM 468 CA GLN A 32 9.976 -0.899 2.674 1.00 60.44 C ATOM 469 C GLN A 32 9.722 0.511 3.196 1.00 21.21 C ATOM 470 O GLN A 32 8.612 0.837 3.618 1.00 62.23 O ATOM 471 CB GLN A 32 8.994 -1.879 3.318 1.00 60.30 C ATOM 472 CG GLN A 32 9.318 -3.338 3.038 1.00 4.13 C ATOM 473 CD GLN A 32 9.721 -3.580 1.597 1.00 22.20 C ATOM 474 OE1 GLN A 32 10.722 -4.244 1.323 1.00 14.12 O ATOM 475 NE2 GLN A 32 8.942 -3.042 0.666 1.00 63.21 N ATOM 0 H GLN A 32 11.629 -1.247 3.916 1.00 64.43 H new ATOM 0 HA GLN A 32 9.824 -0.900 1.595 1.00 60.44 H new ATOM 0 HB2 GLN A 32 8.987 -1.718 4.396 1.00 60.30 H new ATOM 0 HB3 GLN A 32 7.989 -1.663 2.957 1.00 60.30 H new ATOM 0 HG2 GLN A 32 10.125 -3.660 3.696 1.00 4.13 H new ATOM 0 HG3 GLN A 32 8.449 -3.951 3.276 1.00 4.13 H new ATOM 0 HE21 GLN A 32 8.122 -2.499 0.938 1.00 63.21 H new ATOM 0 HE22 GLN A 32 9.163 -3.172 -0.321 1.00 63.21 H new ATOM 484 N TYR A 33 10.757 1.343 3.166 1.00 62.33 N ATOM 485 CA TYR A 33 10.647 2.717 3.639 1.00 51.40 C ATOM 486 C TYR A 33 9.549 3.465 2.889 1.00 14.34 C ATOM 487 O TYR A 33 8.999 4.447 3.388 1.00 11.35 O ATOM 488 CB TYR A 33 11.982 3.446 3.470 1.00 35.44 C ATOM 489 CG TYR A 33 12.614 3.244 2.112 1.00 53.42 C ATOM 490 CD1 TYR A 33 12.100 3.873 0.984 1.00 10.14 C ATOM 491 CD2 TYR A 33 13.726 2.426 1.956 1.00 72.12 C ATOM 492 CE1 TYR A 33 12.674 3.691 -0.259 1.00 10.42 C ATOM 493 CE2 TYR A 33 14.307 2.240 0.717 1.00 63.45 C ATOM 494 CZ TYR A 33 13.777 2.874 -0.388 1.00 25.03 C ATOM 495 OH TYR A 33 14.353 2.692 -1.624 1.00 61.52 O ATOM 0 H TYR A 33 11.682 1.089 2.819 1.00 62.33 H new ATOM 0 HA TYR A 33 10.387 2.690 4.697 1.00 51.40 H new ATOM 0 HB2 TYR A 33 11.827 4.512 3.635 1.00 35.44 H new ATOM 0 HB3 TYR A 33 12.674 3.102 4.238 1.00 35.44 H new ATOM 0 HD1 TYR A 33 11.237 4.515 1.081 1.00 10.14 H new ATOM 0 HD2 TYR A 33 14.143 1.927 2.818 1.00 72.12 H new ATOM 0 HE1 TYR A 33 12.261 4.186 -1.125 1.00 10.42 H new ATOM 0 HE2 TYR A 33 15.172 1.601 0.613 1.00 63.45 H new ATOM 0 HH TYR A 33 15.121 2.089 -1.541 1.00 61.52 H new ATOM 505 N ARG A 34 9.234 2.992 1.688 1.00 50.42 N ATOM 506 CA ARG A 34 8.202 3.615 0.868 1.00 40.52 C ATOM 507 C ARG A 34 6.826 3.449 1.506 1.00 1.03 C ATOM 508 O ARG A 34 5.905 4.218 1.229 1.00 21.52 O ATOM 509 CB ARG A 34 8.201 3.009 -0.537 1.00 22.25 C ATOM 510 CG ARG A 34 9.444 3.343 -1.345 1.00 52.33 C ATOM 511 CD ARG A 34 9.199 3.177 -2.837 1.00 23.41 C ATOM 512 NE ARG A 34 8.306 4.205 -3.363 1.00 74.23 N ATOM 513 CZ ARG A 34 7.804 4.183 -4.593 1.00 41.11 C ATOM 514 NH1 ARG A 34 8.107 3.191 -5.419 1.00 33.34 N ATOM 515 NH2 ARG A 34 6.997 5.155 -4.999 1.00 44.22 N ATOM 0 H ARG A 34 9.679 2.179 1.261 1.00 50.42 H new ATOM 0 HA ARG A 34 8.424 4.680 0.797 1.00 40.52 H new ATOM 0 HB2 ARG A 34 8.111 1.926 -0.456 1.00 22.25 H new ATOM 0 HB3 ARG A 34 7.322 3.363 -1.076 1.00 22.25 H new ATOM 0 HG2 ARG A 34 9.750 4.368 -1.137 1.00 52.33 H new ATOM 0 HG3 ARG A 34 10.265 2.696 -1.036 1.00 52.33 H new ATOM 0 HD2 ARG A 34 10.150 3.218 -3.367 1.00 23.41 H new ATOM 0 HD3 ARG A 34 8.770 2.193 -3.027 1.00 23.41 H new ATOM 0 HE ARG A 34 8.054 4.983 -2.753 1.00 74.23 H new ATOM 0 HH11 ARG A 34 8.727 2.442 -5.111 1.00 33.34 H new ATOM 0 HH12 ARG A 34 7.720 3.177 -6.363 1.00 33.34 H new ATOM 0 HH21 ARG A 34 6.762 5.920 -4.367 1.00 44.22 H new ATOM 0 HH22 ARG A 34 6.612 5.137 -5.943 1.00 44.22 H new ATOM 529 N ASP A 35 6.695 2.441 2.361 1.00 35.31 N ATOM 530 CA ASP A 35 5.432 2.173 3.039 1.00 14.45 C ATOM 531 C ASP A 35 5.486 2.637 4.492 1.00 63.41 C ATOM 532 O ASP A 35 5.075 1.915 5.400 1.00 71.23 O ATOM 533 CB ASP A 35 5.102 0.681 2.979 1.00 13.12 C ATOM 534 CG ASP A 35 5.557 0.039 1.683 1.00 4.35 C ATOM 535 OD1 ASP A 35 5.409 0.678 0.621 1.00 12.21 O ATOM 536 OD2 ASP A 35 6.062 -1.102 1.732 1.00 60.23 O ATOM 0 H ASP A 35 7.448 1.796 2.601 1.00 35.31 H new ATOM 0 HA ASP A 35 4.648 2.731 2.527 1.00 14.45 H new ATOM 0 HB2 ASP A 35 5.576 0.173 3.819 1.00 13.12 H new ATOM 0 HB3 ASP A 35 4.026 0.545 3.090 1.00 13.12 H new ATOM 541 N ALA A 36 5.998 3.845 4.704 1.00 61.35 N ATOM 542 CA ALA A 36 6.106 4.404 6.045 1.00 12.40 C ATOM 543 C ALA A 36 4.738 4.497 6.713 1.00 51.44 C ATOM 544 O ALA A 36 4.487 3.894 7.756 1.00 63.10 O ATOM 545 CB ALA A 36 6.764 5.775 5.994 1.00 45.03 C ATOM 0 H ALA A 36 6.344 4.455 3.964 1.00 61.35 H new ATOM 0 HA ALA A 36 6.728 3.736 6.641 1.00 12.40 H new ATOM 0 HB1 ALA A 36 6.838 6.181 7.003 1.00 45.03 H new ATOM 0 HB2 ALA A 36 7.762 5.684 5.565 1.00 45.03 H new ATOM 0 HB3 ALA A 36 6.164 6.444 5.377 1.00 45.03 H new ATOM 551 N PRO A 37 3.831 5.272 6.099 1.00 34.31 N ATOM 552 CA PRO A 37 2.473 5.462 6.617 1.00 35.00 C ATOM 553 C PRO A 37 1.624 4.201 6.495 1.00 54.23 C ATOM 554 O PRO A 37 0.728 3.962 7.305 1.00 53.32 O ATOM 555 CB PRO A 37 1.908 6.575 5.731 1.00 53.01 C ATOM 556 CG PRO A 37 2.683 6.479 4.462 1.00 14.22 C ATOM 557 CD PRO A 37 4.061 6.021 4.852 1.00 34.42 C ATOM 0 HA PRO A 37 2.472 5.703 7.680 1.00 35.00 H new ATOM 0 HB2 PRO A 37 0.841 6.438 5.555 1.00 53.01 H new ATOM 0 HB3 PRO A 37 2.031 7.553 6.197 1.00 53.01 H new ATOM 0 HG2 PRO A 37 2.218 5.774 3.773 1.00 14.22 H new ATOM 0 HG3 PRO A 37 2.721 7.443 3.954 1.00 14.22 H new ATOM 0 HD2 PRO A 37 4.508 5.392 4.082 1.00 34.42 H new ATOM 0 HD3 PRO A 37 4.735 6.863 5.008 1.00 34.42 H new ATOM 565 N LYS A 38 1.911 3.396 5.477 1.00 11.43 N ATOM 566 CA LYS A 38 1.175 2.158 5.249 1.00 4.31 C ATOM 567 C LYS A 38 1.461 1.144 6.352 1.00 2.54 C ATOM 568 O LYS A 38 0.543 0.642 7.001 1.00 60.05 O ATOM 569 CB LYS A 38 1.545 1.565 3.888 1.00 24.40 C ATOM 570 CG LYS A 38 0.717 2.114 2.739 1.00 30.25 C ATOM 571 CD LYS A 38 -0.447 1.197 2.404 1.00 54.24 C ATOM 572 CE LYS A 38 -1.748 1.703 3.010 1.00 65.50 C ATOM 573 NZ LYS A 38 -2.145 3.023 2.448 1.00 12.11 N ATOM 0 H LYS A 38 2.648 3.579 4.797 1.00 11.43 H new ATOM 0 HA LYS A 38 0.110 2.390 5.260 1.00 4.31 H new ATOM 0 HB2 LYS A 38 2.599 1.760 3.691 1.00 24.40 H new ATOM 0 HB3 LYS A 38 1.423 0.483 3.928 1.00 24.40 H new ATOM 0 HG2 LYS A 38 0.339 3.102 3.001 1.00 30.25 H new ATOM 0 HG3 LYS A 38 1.349 2.237 1.860 1.00 30.25 H new ATOM 0 HD2 LYS A 38 -0.553 1.123 1.322 1.00 54.24 H new ATOM 0 HD3 LYS A 38 -0.239 0.193 2.773 1.00 54.24 H new ATOM 0 HE2 LYS A 38 -2.540 0.977 2.827 1.00 65.50 H new ATOM 0 HE3 LYS A 38 -1.637 1.787 4.091 1.00 65.50 H new ATOM 0 HZ1 LYS A 38 -3.181 3.113 2.472 1.00 12.11 H new ATOM 0 HZ2 LYS A 38 -1.718 3.784 3.014 1.00 12.11 H new ATOM 0 HZ3 LYS A 38 -1.814 3.095 1.465 1.00 12.11 H new ATOM 587 N VAL A 39 2.740 0.849 6.562 1.00 42.13 N ATOM 588 CA VAL A 39 3.147 -0.103 7.589 1.00 51.34 C ATOM 589 C VAL A 39 2.757 0.388 8.978 1.00 1.13 C ATOM 590 O VAL A 39 2.354 -0.398 9.835 1.00 62.10 O ATOM 591 CB VAL A 39 4.666 -0.353 7.552 1.00 43.21 C ATOM 592 CG1 VAL A 39 5.075 -1.321 8.652 1.00 51.13 C ATOM 593 CG2 VAL A 39 5.087 -0.875 6.187 1.00 60.53 C ATOM 0 H VAL A 39 3.512 1.256 6.034 1.00 42.13 H new ATOM 0 HA VAL A 39 2.628 -1.038 7.378 1.00 51.34 H new ATOM 0 HB VAL A 39 5.177 0.594 7.726 1.00 43.21 H new ATOM 0 HG11 VAL A 39 6.152 -1.486 8.610 1.00 51.13 H new ATOM 0 HG12 VAL A 39 4.809 -0.902 9.623 1.00 51.13 H new ATOM 0 HG13 VAL A 39 4.557 -2.270 8.513 1.00 51.13 H new ATOM 0 HG21 VAL A 39 6.163 -1.046 6.179 1.00 60.53 H new ATOM 0 HG22 VAL A 39 4.569 -1.812 5.980 1.00 60.53 H new ATOM 0 HG23 VAL A 39 4.830 -0.142 5.422 1.00 60.53 H new ATOM 603 N ALA A 40 2.879 1.694 9.195 1.00 63.35 N ATOM 604 CA ALA A 40 2.537 2.290 10.480 1.00 43.54 C ATOM 605 C ALA A 40 1.044 2.165 10.763 1.00 41.41 C ATOM 606 O ALA A 40 0.642 1.780 11.860 1.00 0.22 O ATOM 607 CB ALA A 40 2.962 3.751 10.513 1.00 3.11 C ATOM 0 H ALA A 40 3.212 2.359 8.497 1.00 63.35 H new ATOM 0 HA ALA A 40 3.074 1.749 11.259 1.00 43.54 H new ATOM 0 HB1 ALA A 40 2.701 4.184 11.478 1.00 3.11 H new ATOM 0 HB2 ALA A 40 4.040 3.820 10.364 1.00 3.11 H new ATOM 0 HB3 ALA A 40 2.451 4.297 9.720 1.00 3.11 H new ATOM 613 N GLU A 41 0.228 2.494 9.767 1.00 52.34 N ATOM 614 CA GLU A 41 -1.221 2.420 9.911 1.00 73.30 C ATOM 615 C GLU A 41 -1.674 0.978 10.122 1.00 25.44 C ATOM 616 O GLU A 41 -2.496 0.695 10.993 1.00 2.44 O ATOM 617 CB GLU A 41 -1.910 3.006 8.677 1.00 60.13 C ATOM 618 CG GLU A 41 -3.361 3.389 8.914 1.00 72.33 C ATOM 619 CD GLU A 41 -3.954 4.171 7.758 1.00 75.42 C ATOM 620 OE1 GLU A 41 -3.318 5.149 7.314 1.00 70.33 O ATOM 621 OE2 GLU A 41 -5.056 3.803 7.297 1.00 1.44 O ATOM 0 H GLU A 41 0.545 2.814 8.852 1.00 52.34 H new ATOM 0 HA GLU A 41 -1.503 3.004 10.787 1.00 73.30 H new ATOM 0 HB2 GLU A 41 -1.359 3.887 8.348 1.00 60.13 H new ATOM 0 HB3 GLU A 41 -1.863 2.280 7.866 1.00 60.13 H new ATOM 0 HG2 GLU A 41 -3.949 2.486 9.077 1.00 72.33 H new ATOM 0 HG3 GLU A 41 -3.432 3.984 9.825 1.00 72.33 H new ATOM 628 N MET A 42 -1.130 0.069 9.318 1.00 12.54 N ATOM 629 CA MET A 42 -1.477 -1.344 9.418 1.00 50.55 C ATOM 630 C MET A 42 -1.027 -1.921 10.756 1.00 60.24 C ATOM 631 O MET A 42 -1.811 -2.550 11.466 1.00 74.54 O ATOM 632 CB MET A 42 -0.840 -2.129 8.270 1.00 42.24 C ATOM 633 CG MET A 42 -1.623 -3.370 7.873 1.00 15.53 C ATOM 634 SD MET A 42 -0.559 -4.716 7.319 1.00 14.42 S ATOM 635 CE MET A 42 -0.280 -5.583 8.861 1.00 2.12 C ATOM 0 H MET A 42 -0.448 0.286 8.591 1.00 12.54 H new ATOM 0 HA MET A 42 -2.561 -1.432 9.351 1.00 50.55 H new ATOM 0 HB2 MET A 42 -0.746 -1.476 7.402 1.00 42.24 H new ATOM 0 HB3 MET A 42 0.169 -2.423 8.558 1.00 42.24 H new ATOM 0 HG2 MET A 42 -2.216 -3.708 8.723 1.00 15.53 H new ATOM 0 HG3 MET A 42 -2.323 -3.114 7.077 1.00 15.53 H new ATOM 0 HE1 MET A 42 0.486 -6.345 8.717 1.00 2.12 H new ATOM 0 HE2 MET A 42 0.051 -4.876 9.621 1.00 2.12 H new ATOM 0 HE3 MET A 42 -1.207 -6.057 9.185 1.00 2.12 H new ATOM 645 N TRP A 43 0.239 -1.704 11.093 1.00 51.42 N ATOM 646 CA TRP A 43 0.793 -2.203 12.346 1.00 34.52 C ATOM 647 C TRP A 43 -0.025 -1.714 13.536 1.00 11.42 C ATOM 648 O TRP A 43 -0.410 -2.498 14.403 1.00 23.45 O ATOM 649 CB TRP A 43 2.249 -1.762 12.496 1.00 3.11 C ATOM 650 CG TRP A 43 2.927 -2.348 13.698 1.00 50.13 C ATOM 651 CD1 TRP A 43 3.488 -3.589 13.798 1.00 2.22 C ATOM 652 CD2 TRP A 43 3.112 -1.717 14.970 1.00 64.24 C ATOM 653 NE1 TRP A 43 4.011 -3.768 15.056 1.00 5.42 N ATOM 654 CE2 TRP A 43 3.795 -2.634 15.793 1.00 13.35 C ATOM 655 CE3 TRP A 43 2.771 -0.467 15.492 1.00 34.01 C ATOM 656 CZ2 TRP A 43 4.139 -2.338 17.110 1.00 52.12 C ATOM 657 CZ3 TRP A 43 3.113 -0.175 16.799 1.00 74.13 C ATOM 658 CH2 TRP A 43 3.792 -1.107 17.595 1.00 14.54 C ATOM 0 H TRP A 43 0.901 -1.186 10.516 1.00 51.42 H new ATOM 0 HA TRP A 43 0.752 -3.292 12.324 1.00 34.52 H new ATOM 0 HB2 TRP A 43 2.802 -2.048 11.601 1.00 3.11 H new ATOM 0 HB3 TRP A 43 2.287 -0.675 12.561 1.00 3.11 H new ATOM 0 HD1 TRP A 43 3.516 -4.322 13.005 1.00 2.22 H new ATOM 0 HE1 TRP A 43 4.484 -4.609 15.387 1.00 5.42 H new ATOM 0 HE3 TRP A 43 2.249 0.258 14.885 1.00 34.01 H new ATOM 0 HZ2 TRP A 43 4.661 -3.055 17.726 1.00 52.12 H new ATOM 0 HZ3 TRP A 43 2.853 0.788 17.214 1.00 74.13 H new ATOM 0 HH2 TRP A 43 4.047 -0.848 18.612 1.00 14.54 H new ATOM 669 N LYS A 44 -0.288 -0.412 13.572 1.00 12.31 N ATOM 670 CA LYS A 44 -1.062 0.183 14.655 1.00 0.42 C ATOM 671 C LYS A 44 -2.453 -0.438 14.736 1.00 65.31 C ATOM 672 O LYS A 44 -2.822 -1.023 15.754 1.00 52.15 O ATOM 673 CB LYS A 44 -1.179 1.696 14.455 1.00 41.03 C ATOM 674 CG LYS A 44 -1.920 2.403 15.577 1.00 63.24 C ATOM 675 CD LYS A 44 -2.724 3.583 15.057 1.00 23.11 C ATOM 676 CE LYS A 44 -2.949 4.625 16.142 1.00 23.11 C ATOM 677 NZ LYS A 44 -3.477 5.901 15.585 1.00 71.32 N ATOM 0 H LYS A 44 0.024 0.252 12.863 1.00 12.31 H new ATOM 0 HA LYS A 44 -0.540 -0.015 15.591 1.00 0.42 H new ATOM 0 HB2 LYS A 44 -0.179 2.121 14.367 1.00 41.03 H new ATOM 0 HB3 LYS A 44 -1.692 1.891 13.513 1.00 41.03 H new ATOM 0 HG2 LYS A 44 -2.586 1.699 16.075 1.00 63.24 H new ATOM 0 HG3 LYS A 44 -1.206 2.749 16.324 1.00 63.24 H new ATOM 0 HD2 LYS A 44 -2.201 4.039 14.216 1.00 23.11 H new ATOM 0 HD3 LYS A 44 -3.686 3.233 14.682 1.00 23.11 H new ATOM 0 HE2 LYS A 44 -3.649 4.234 16.881 1.00 23.11 H new ATOM 0 HE3 LYS A 44 -2.010 4.817 16.662 1.00 23.11 H new ATOM 0 HZ1 LYS A 44 -3.617 6.585 16.356 1.00 71.32 H new ATOM 0 HZ2 LYS A 44 -2.798 6.287 14.898 1.00 71.32 H new ATOM 0 HZ3 LYS A 44 -4.385 5.723 15.111 1.00 71.32 H new ATOM 691 N GLU A 45 -3.217 -0.309 13.656 1.00 14.13 N ATOM 692 CA GLU A 45 -4.567 -0.859 13.606 1.00 22.35 C ATOM 693 C GLU A 45 -4.561 -2.346 13.949 1.00 22.32 C ATOM 694 O GLU A 45 -5.535 -2.875 14.486 1.00 2.51 O ATOM 695 CB GLU A 45 -5.177 -0.647 12.220 1.00 53.34 C ATOM 696 CG GLU A 45 -5.951 0.654 12.088 1.00 14.12 C ATOM 697 CD GLU A 45 -6.926 0.638 10.926 1.00 4.43 C ATOM 698 OE1 GLU A 45 -6.638 -0.042 9.920 1.00 73.14 O ATOM 699 OE2 GLU A 45 -7.976 1.307 11.025 1.00 41.15 O ATOM 0 H GLU A 45 -2.925 0.171 12.805 1.00 14.13 H new ATOM 0 HA GLU A 45 -5.173 -0.335 14.345 1.00 22.35 H new ATOM 0 HB2 GLU A 45 -4.381 -0.663 11.476 1.00 53.34 H new ATOM 0 HB3 GLU A 45 -5.842 -1.480 11.994 1.00 53.34 H new ATOM 0 HG2 GLU A 45 -6.497 0.843 13.012 1.00 14.12 H new ATOM 0 HG3 GLU A 45 -5.250 1.478 11.957 1.00 14.12 H new ATOM 706 N TYR A 46 -3.457 -3.015 13.634 1.00 33.34 N ATOM 707 CA TYR A 46 -3.325 -4.442 13.906 1.00 43.33 C ATOM 708 C TYR A 46 -3.034 -4.691 15.382 1.00 3.35 C ATOM 709 O TYR A 46 -3.523 -5.656 15.969 1.00 40.23 O ATOM 710 CB TYR A 46 -2.212 -5.044 13.046 1.00 21.35 C ATOM 711 CG TYR A 46 -1.809 -6.439 13.469 1.00 63.01 C ATOM 712 CD1 TYR A 46 -0.830 -6.638 14.435 1.00 42.41 C ATOM 713 CD2 TYR A 46 -2.406 -7.558 12.902 1.00 64.04 C ATOM 714 CE1 TYR A 46 -0.458 -7.910 14.824 1.00 44.04 C ATOM 715 CE2 TYR A 46 -2.041 -8.834 13.285 1.00 3.02 C ATOM 716 CZ TYR A 46 -1.066 -9.005 14.246 1.00 12.23 C ATOM 717 OH TYR A 46 -0.699 -10.274 14.630 1.00 20.21 O ATOM 0 H TYR A 46 -2.641 -2.593 13.191 1.00 33.34 H new ATOM 0 HA TYR A 46 -4.270 -4.923 13.655 1.00 43.33 H new ATOM 0 HB2 TYR A 46 -2.540 -5.069 12.007 1.00 21.35 H new ATOM 0 HB3 TYR A 46 -1.338 -4.393 13.089 1.00 21.35 H new ATOM 0 HD1 TYR A 46 -0.352 -5.783 14.890 1.00 42.41 H new ATOM 0 HD2 TYR A 46 -3.169 -7.428 12.149 1.00 64.04 H new ATOM 0 HE1 TYR A 46 0.305 -8.047 15.576 1.00 44.04 H new ATOM 0 HE2 TYR A 46 -2.516 -9.693 12.835 1.00 3.02 H new ATOM 0 HH TYR A 46 -0.463 -10.800 13.838 1.00 20.21 H new ATOM 727 N MET A 47 -2.234 -3.812 15.977 1.00 3.14 N ATOM 728 CA MET A 47 -1.878 -3.934 17.386 1.00 32.45 C ATOM 729 C MET A 47 -3.039 -3.508 18.279 1.00 13.11 C ATOM 730 O MET A 47 -3.114 -3.896 19.446 1.00 44.31 O ATOM 731 CB MET A 47 -0.642 -3.088 17.698 1.00 34.21 C ATOM 732 CG MET A 47 0.618 -3.574 17.001 1.00 41.52 C ATOM 733 SD MET A 47 1.449 -4.893 17.907 1.00 51.33 S ATOM 734 CE MET A 47 2.303 -3.951 19.169 1.00 73.13 C ATOM 0 H MET A 47 -1.820 -3.008 15.505 1.00 3.14 H new ATOM 0 HA MET A 47 -1.652 -4.981 17.588 1.00 32.45 H new ATOM 0 HB2 MET A 47 -0.835 -2.056 17.405 1.00 34.21 H new ATOM 0 HB3 MET A 47 -0.474 -3.087 18.775 1.00 34.21 H new ATOM 0 HG2 MET A 47 0.362 -3.930 16.003 1.00 41.52 H new ATOM 0 HG3 MET A 47 1.305 -2.737 16.875 1.00 41.52 H new ATOM 0 HE1 MET A 47 3.370 -4.172 19.129 1.00 73.13 H new ATOM 0 HE2 MET A 47 2.146 -2.886 18.997 1.00 73.13 H new ATOM 0 HE3 MET A 47 1.913 -4.221 20.151 1.00 73.13 H new ATOM 744 N LEU A 48 -3.943 -2.708 17.724 1.00 11.14 N ATOM 745 CA LEU A 48 -5.101 -2.228 18.471 1.00 72.32 C ATOM 746 C LEU A 48 -6.333 -3.076 18.168 1.00 0.54 C ATOM 747 O LEU A 48 -7.459 -2.578 18.181 1.00 30.11 O ATOM 748 CB LEU A 48 -5.380 -0.763 18.132 1.00 51.04 C ATOM 749 CG LEU A 48 -4.222 0.210 18.356 1.00 51.13 C ATOM 750 CD1 LEU A 48 -4.561 1.581 17.792 1.00 5.42 C ATOM 751 CD2 LEU A 48 -3.887 0.308 19.837 1.00 62.02 C ATOM 0 H LEU A 48 -3.897 -2.378 16.760 1.00 11.14 H new ATOM 0 HA LEU A 48 -4.877 -2.312 19.534 1.00 72.32 H new ATOM 0 HB2 LEU A 48 -5.681 -0.704 17.086 1.00 51.04 H new ATOM 0 HB3 LEU A 48 -6.230 -0.429 18.727 1.00 51.04 H new ATOM 0 HG LEU A 48 -3.346 -0.170 17.830 1.00 51.13 H new ATOM 0 HD11 LEU A 48 -3.726 2.260 17.960 1.00 5.42 H new ATOM 0 HD12 LEU A 48 -4.751 1.497 16.722 1.00 5.42 H new ATOM 0 HD13 LEU A 48 -5.450 1.969 18.289 1.00 5.42 H new ATOM 0 HD21 LEU A 48 -3.061 1.005 19.978 1.00 62.02 H new ATOM 0 HD22 LEU A 48 -4.759 0.664 20.385 1.00 62.02 H new ATOM 0 HD23 LEU A 48 -3.601 -0.675 20.211 1.00 62.02 H new ATOM 763 N ARG A 49 -6.111 -4.358 17.899 1.00 51.23 N ATOM 764 CA ARG A 49 -7.203 -5.275 17.594 1.00 11.43 C ATOM 765 C ARG A 49 -7.418 -6.263 18.737 1.00 64.12 C ATOM 766 O ARG A 49 -6.495 -6.603 19.478 1.00 51.21 O ATOM 767 CB ARG A 49 -6.914 -6.033 16.297 1.00 14.43 C ATOM 768 CG ARG A 49 -7.531 -5.389 15.066 1.00 62.32 C ATOM 769 CD ARG A 49 -7.071 -6.077 13.789 1.00 14.54 C ATOM 770 NE ARG A 49 -7.843 -5.644 12.627 1.00 22.40 N ATOM 771 CZ ARG A 49 -9.113 -5.977 12.423 1.00 45.03 C ATOM 772 NH1 ARG A 49 -9.750 -6.741 13.298 1.00 33.25 N ATOM 773 NH2 ARG A 49 -9.747 -5.544 11.341 1.00 70.55 N ATOM 0 H ARG A 49 -5.185 -4.786 17.886 1.00 51.23 H new ATOM 0 HA ARG A 49 -8.113 -4.688 17.468 1.00 11.43 H new ATOM 0 HB2 ARG A 49 -5.835 -6.102 16.159 1.00 14.43 H new ATOM 0 HB3 ARG A 49 -7.289 -7.052 16.390 1.00 14.43 H new ATOM 0 HG2 ARG A 49 -8.618 -5.436 15.135 1.00 62.32 H new ATOM 0 HG3 ARG A 49 -7.259 -4.334 15.031 1.00 62.32 H new ATOM 0 HD2 ARG A 49 -6.015 -5.864 13.623 1.00 14.54 H new ATOM 0 HD3 ARG A 49 -7.164 -7.157 13.905 1.00 14.54 H new ATOM 0 HE ARG A 49 -7.382 -5.054 11.934 1.00 22.40 H new ATOM 0 HH11 ARG A 49 -9.266 -7.075 14.131 1.00 33.25 H new ATOM 0 HH12 ARG A 49 -10.725 -6.995 13.139 1.00 33.25 H new ATOM 0 HH21 ARG A 49 -9.259 -4.955 10.666 1.00 70.55 H new ATOM 0 HH22 ARG A 49 -10.722 -5.800 11.185 1.00 70.55 H new ATOM 787 N PRO A 50 -8.664 -6.736 18.884 1.00 11.02 N ATOM 788 CA PRO A 50 -9.029 -7.692 19.934 1.00 51.10 C ATOM 789 C PRO A 50 -8.428 -9.073 19.695 1.00 54.12 C ATOM 790 O PRO A 50 -7.839 -9.668 20.596 1.00 24.35 O ATOM 791 CB PRO A 50 -10.556 -7.750 19.845 1.00 31.32 C ATOM 792 CG PRO A 50 -10.869 -7.366 18.440 1.00 22.41 C ATOM 793 CD PRO A 50 -9.813 -6.374 18.037 1.00 30.41 C ATOM 0 HA PRO A 50 -8.657 -7.386 20.912 1.00 51.10 H new ATOM 0 HB2 PRO A 50 -10.928 -8.748 20.075 1.00 31.32 H new ATOM 0 HB3 PRO A 50 -11.020 -7.066 20.555 1.00 31.32 H new ATOM 0 HG2 PRO A 50 -10.856 -8.237 17.785 1.00 22.41 H new ATOM 0 HG3 PRO A 50 -11.864 -6.928 18.368 1.00 22.41 H new ATOM 0 HD2 PRO A 50 -9.571 -6.453 16.977 1.00 30.41 H new ATOM 0 HD3 PRO A 50 -10.136 -5.348 18.215 1.00 30.41 H new ATOM 801 N SER A 51 -8.582 -9.577 18.474 1.00 3.34 N ATOM 802 CA SER A 51 -8.057 -10.890 18.118 1.00 41.40 C ATOM 803 C SER A 51 -6.590 -11.015 18.516 1.00 5.44 C ATOM 804 O SER A 51 -6.148 -12.065 18.983 1.00 70.15 O ATOM 805 CB SER A 51 -8.212 -11.133 16.616 1.00 63.44 C ATOM 806 OG SER A 51 -8.158 -12.517 16.315 1.00 22.32 O ATOM 0 H SER A 51 -9.066 -9.096 17.716 1.00 3.34 H new ATOM 0 HA SER A 51 -8.628 -11.642 18.662 1.00 41.40 H new ATOM 0 HB2 SER A 51 -9.161 -10.720 16.274 1.00 63.44 H new ATOM 0 HB3 SER A 51 -7.423 -10.609 16.076 1.00 63.44 H new ATOM 0 HG SER A 51 -8.261 -12.646 15.349 1.00 22.32 H new ATOM 812 N VAL A 52 -5.838 -9.934 18.329 1.00 21.33 N ATOM 813 CA VAL A 52 -4.420 -9.921 18.670 1.00 72.04 C ATOM 814 C VAL A 52 -4.213 -10.104 20.169 1.00 72.32 C ATOM 815 O VAL A 52 -4.655 -9.283 20.971 1.00 22.35 O ATOM 816 CB VAL A 52 -3.749 -8.607 18.227 1.00 60.45 C ATOM 817 CG1 VAL A 52 -2.282 -8.596 18.627 1.00 4.21 C ATOM 818 CG2 VAL A 52 -3.902 -8.411 16.726 1.00 71.12 C ATOM 0 H VAL A 52 -6.187 -9.057 17.943 1.00 21.33 H new ATOM 0 HA VAL A 52 -3.959 -10.754 18.139 1.00 72.04 H new ATOM 0 HB VAL A 52 -4.245 -7.778 18.731 1.00 60.45 H new ATOM 0 HG11 VAL A 52 -1.824 -7.660 18.306 1.00 4.21 H new ATOM 0 HG12 VAL A 52 -2.199 -8.687 19.710 1.00 4.21 H new ATOM 0 HG13 VAL A 52 -1.769 -9.432 18.152 1.00 4.21 H new ATOM 0 HG21 VAL A 52 -3.422 -7.478 16.430 1.00 71.12 H new ATOM 0 HG22 VAL A 52 -3.433 -9.243 16.201 1.00 71.12 H new ATOM 0 HG23 VAL A 52 -4.961 -8.372 16.470 1.00 71.12 H new ATOM 828 N ASN A 53 -3.538 -11.187 20.539 1.00 23.33 N ATOM 829 CA ASN A 53 -3.272 -11.479 21.943 1.00 23.12 C ATOM 830 C ASN A 53 -2.038 -10.726 22.431 1.00 64.11 C ATOM 831 O ASN A 53 -1.455 -9.926 21.699 1.00 45.24 O ATOM 832 CB ASN A 53 -3.078 -12.983 22.145 1.00 20.33 C ATOM 833 CG ASN A 53 -4.382 -13.752 22.054 1.00 53.42 C ATOM 834 OD1 ASN A 53 -5.296 -13.543 22.852 1.00 23.25 O ATOM 835 ND2 ASN A 53 -4.475 -14.646 21.077 1.00 65.13 N ATOM 0 H ASN A 53 -3.165 -11.877 19.887 1.00 23.33 H new ATOM 0 HA ASN A 53 -4.132 -11.149 22.526 1.00 23.12 H new ATOM 0 HB2 ASN A 53 -2.383 -13.361 21.395 1.00 20.33 H new ATOM 0 HB3 ASN A 53 -2.622 -13.160 23.119 1.00 20.33 H new ATOM 0 HD21 ASN A 53 -5.329 -15.192 20.965 1.00 65.13 H new ATOM 0 HD22 ASN A 53 -3.692 -14.787 20.438 1.00 65.13 H new ATOM 842 N THR A 54 -1.644 -10.988 23.673 1.00 24.23 N ATOM 843 CA THR A 54 -0.480 -10.336 24.260 1.00 43.23 C ATOM 844 C THR A 54 0.800 -10.741 23.537 1.00 30.34 C ATOM 845 O THR A 54 1.626 -9.895 23.195 1.00 14.42 O ATOM 846 CB THR A 54 -0.340 -10.674 25.756 1.00 75.20 C ATOM 847 OG1 THR A 54 -0.873 -11.978 26.015 1.00 15.31 O ATOM 848 CG2 THR A 54 -1.063 -9.646 26.613 1.00 50.21 C ATOM 0 H THR A 54 -2.114 -11.648 24.292 1.00 24.23 H new ATOM 0 HA THR A 54 -0.632 -9.262 24.151 1.00 43.23 H new ATOM 0 HB THR A 54 0.719 -10.657 26.012 1.00 75.20 H new ATOM 0 HG1 THR A 54 -0.779 -12.187 26.968 1.00 15.31 H new ATOM 0 HG21 THR A 54 -0.950 -9.906 27.666 1.00 50.21 H new ATOM 0 HG22 THR A 54 -0.636 -8.659 26.435 1.00 50.21 H new ATOM 0 HG23 THR A 54 -2.122 -9.636 26.353 1.00 50.21 H new ATOM 856 N ARG A 55 0.958 -12.041 23.308 1.00 40.31 N ATOM 857 CA ARG A 55 2.138 -12.558 22.626 1.00 23.12 C ATOM 858 C ARG A 55 2.376 -11.818 21.313 1.00 73.20 C ATOM 859 O ARG A 55 3.456 -11.275 21.081 1.00 22.54 O ATOM 860 CB ARG A 55 1.983 -14.056 22.359 1.00 64.41 C ATOM 861 CG ARG A 55 2.632 -14.934 23.417 1.00 63.04 C ATOM 862 CD ARG A 55 3.086 -16.264 22.835 1.00 35.24 C ATOM 863 NE ARG A 55 3.563 -17.179 23.869 1.00 43.31 N ATOM 864 CZ ARG A 55 3.893 -18.444 23.635 1.00 21.12 C ATOM 865 NH1 ARG A 55 3.798 -18.942 22.410 1.00 32.11 N ATOM 866 NH2 ARG A 55 4.320 -19.214 24.628 1.00 32.01 N ATOM 0 H ARG A 55 0.284 -12.755 23.585 1.00 40.31 H new ATOM 0 HA ARG A 55 3.000 -12.398 23.274 1.00 23.12 H new ATOM 0 HB2 ARG A 55 0.922 -14.298 22.299 1.00 64.41 H new ATOM 0 HB3 ARG A 55 2.418 -14.290 21.388 1.00 64.41 H new ATOM 0 HG2 ARG A 55 3.487 -14.414 23.849 1.00 63.04 H new ATOM 0 HG3 ARG A 55 1.925 -15.112 24.227 1.00 63.04 H new ATOM 0 HD2 ARG A 55 2.258 -16.725 22.296 1.00 35.24 H new ATOM 0 HD3 ARG A 55 3.881 -16.090 22.110 1.00 35.24 H new ATOM 0 HE ARG A 55 3.647 -16.827 24.823 1.00 43.31 H new ATOM 0 HH11 ARG A 55 3.471 -18.353 21.644 1.00 32.11 H new ATOM 0 HH12 ARG A 55 4.052 -19.914 22.233 1.00 32.11 H new ATOM 0 HH21 ARG A 55 4.395 -18.834 25.572 1.00 32.01 H new ATOM 0 HH22 ARG A 55 4.573 -20.185 24.447 1.00 32.01 H new ATOM 880 N ARG A 56 1.359 -11.801 20.457 1.00 22.40 N ATOM 881 CA ARG A 56 1.458 -11.130 19.167 1.00 51.03 C ATOM 882 C ARG A 56 1.906 -9.682 19.340 1.00 3.23 C ATOM 883 O ARG A 56 2.758 -9.191 18.599 1.00 25.15 O ATOM 884 CB ARG A 56 0.112 -11.175 18.440 1.00 3.13 C ATOM 885 CG ARG A 56 -0.091 -12.433 17.612 1.00 31.12 C ATOM 886 CD ARG A 56 -1.552 -12.853 17.586 1.00 15.15 C ATOM 887 NE ARG A 56 -2.280 -12.235 16.481 1.00 20.20 N ATOM 888 CZ ARG A 56 -2.253 -12.695 15.235 1.00 21.32 C ATOM 889 NH1 ARG A 56 -1.539 -13.772 14.938 1.00 23.10 N ATOM 890 NH2 ARG A 56 -2.942 -12.078 14.284 1.00 63.24 N ATOM 0 H ARG A 56 0.458 -12.244 20.634 1.00 22.40 H new ATOM 0 HA ARG A 56 2.204 -11.654 18.570 1.00 51.03 H new ATOM 0 HB2 ARG A 56 -0.690 -11.100 19.174 1.00 3.13 H new ATOM 0 HB3 ARG A 56 0.031 -10.305 17.789 1.00 3.13 H new ATOM 0 HG2 ARG A 56 0.257 -12.260 16.594 1.00 31.12 H new ATOM 0 HG3 ARG A 56 0.514 -13.242 18.022 1.00 31.12 H new ATOM 0 HD2 ARG A 56 -1.616 -13.938 17.500 1.00 15.15 H new ATOM 0 HD3 ARG A 56 -2.025 -12.579 18.529 1.00 15.15 H new ATOM 0 HE ARG A 56 -2.840 -11.405 16.677 1.00 20.20 H new ATOM 0 HH11 ARG A 56 -1.009 -14.249 15.667 1.00 23.10 H new ATOM 0 HH12 ARG A 56 -1.520 -14.123 13.981 1.00 23.10 H new ATOM 0 HH21 ARG A 56 -3.493 -11.250 14.509 1.00 63.24 H new ATOM 0 HH22 ARG A 56 -2.921 -12.432 13.328 1.00 63.24 H new ATOM 904 N LYS A 57 1.326 -9.002 20.324 1.00 61.14 N ATOM 905 CA LYS A 57 1.665 -7.611 20.596 1.00 3.53 C ATOM 906 C LYS A 57 3.126 -7.478 21.015 1.00 61.42 C ATOM 907 O LYS A 57 3.865 -6.653 20.476 1.00 71.33 O ATOM 908 CB LYS A 57 0.757 -7.048 21.692 1.00 51.01 C ATOM 909 CG LYS A 57 -0.603 -6.600 21.184 1.00 21.43 C ATOM 910 CD LYS A 57 -1.621 -6.525 22.310 1.00 50.23 C ATOM 911 CE LYS A 57 -3.021 -6.261 21.778 1.00 53.22 C ATOM 912 NZ LYS A 57 -3.846 -5.486 22.746 1.00 24.12 N ATOM 0 H LYS A 57 0.619 -9.393 20.946 1.00 61.14 H new ATOM 0 HA LYS A 57 1.515 -7.041 19.679 1.00 3.53 H new ATOM 0 HB2 LYS A 57 0.616 -7.807 22.461 1.00 51.01 H new ATOM 0 HB3 LYS A 57 1.255 -6.202 22.166 1.00 51.01 H new ATOM 0 HG2 LYS A 57 -0.511 -5.623 20.709 1.00 21.43 H new ATOM 0 HG3 LYS A 57 -0.954 -7.294 20.420 1.00 21.43 H new ATOM 0 HD2 LYS A 57 -1.614 -7.459 22.871 1.00 50.23 H new ATOM 0 HD3 LYS A 57 -1.339 -5.734 23.005 1.00 50.23 H new ATOM 0 HE2 LYS A 57 -2.955 -5.714 20.838 1.00 53.22 H new ATOM 0 HE3 LYS A 57 -3.512 -7.210 21.561 1.00 53.22 H new ATOM 0 HZ1 LYS A 57 -4.793 -5.327 22.346 1.00 24.12 H new ATOM 0 HZ2 LYS A 57 -3.931 -6.019 23.635 1.00 24.12 H new ATOM 0 HZ3 LYS A 57 -3.391 -4.570 22.934 1.00 24.12 H new ATOM 926 N LEU A 58 3.537 -8.297 21.977 1.00 1.43 N ATOM 927 CA LEU A 58 4.911 -8.272 22.467 1.00 20.22 C ATOM 928 C LEU A 58 5.903 -8.382 21.313 1.00 34.34 C ATOM 929 O LEU A 58 6.820 -7.570 21.190 1.00 65.21 O ATOM 930 CB LEU A 58 5.139 -9.412 23.461 1.00 21.42 C ATOM 931 CG LEU A 58 6.504 -9.439 24.151 1.00 15.50 C ATOM 932 CD1 LEU A 58 7.548 -10.069 23.244 1.00 63.43 C ATOM 933 CD2 LEU A 58 6.924 -8.033 24.555 1.00 40.11 C ATOM 0 H LEU A 58 2.939 -8.986 22.433 1.00 1.43 H new ATOM 0 HA LEU A 58 5.074 -7.320 22.972 1.00 20.22 H new ATOM 0 HB2 LEU A 58 4.367 -9.357 24.229 1.00 21.42 H new ATOM 0 HB3 LEU A 58 5.001 -10.358 22.937 1.00 21.42 H new ATOM 0 HG LEU A 58 6.423 -10.046 25.053 1.00 15.50 H new ATOM 0 HD11 LEU A 58 8.512 -10.079 23.752 1.00 63.43 H new ATOM 0 HD12 LEU A 58 7.253 -11.091 23.004 1.00 63.43 H new ATOM 0 HD13 LEU A 58 7.628 -9.489 22.324 1.00 63.43 H new ATOM 0 HD21 LEU A 58 7.897 -8.071 25.044 1.00 40.11 H new ATOM 0 HD22 LEU A 58 6.988 -7.403 23.668 1.00 40.11 H new ATOM 0 HD23 LEU A 58 6.188 -7.617 25.243 1.00 40.11 H new ATOM 945 N LEU A 59 5.711 -9.390 20.470 1.00 73.15 N ATOM 946 CA LEU A 59 6.587 -9.605 19.323 1.00 31.52 C ATOM 947 C LEU A 59 6.587 -8.390 18.402 1.00 74.04 C ATOM 948 O LEU A 59 7.643 -7.882 18.026 1.00 35.45 O ATOM 949 CB LEU A 59 6.148 -10.848 18.547 1.00 33.31 C ATOM 950 CG LEU A 59 6.725 -12.180 19.030 1.00 51.45 C ATOM 951 CD1 LEU A 59 8.162 -12.341 18.558 1.00 13.40 C ATOM 952 CD2 LEU A 59 6.645 -12.277 20.546 1.00 21.20 C ATOM 0 H LEU A 59 4.957 -10.071 20.559 1.00 73.15 H new ATOM 0 HA LEU A 59 7.601 -9.755 19.695 1.00 31.52 H new ATOM 0 HB2 LEU A 59 5.060 -10.911 18.586 1.00 33.31 H new ATOM 0 HB3 LEU A 59 6.422 -10.714 17.501 1.00 33.31 H new ATOM 0 HG LEU A 59 6.131 -12.988 18.603 1.00 51.45 H new ATOM 0 HD11 LEU A 59 8.556 -13.294 18.911 1.00 13.40 H new ATOM 0 HD12 LEU A 59 8.192 -12.317 17.469 1.00 13.40 H new ATOM 0 HD13 LEU A 59 8.769 -11.528 18.956 1.00 13.40 H new ATOM 0 HD21 LEU A 59 7.060 -13.231 20.872 1.00 21.20 H new ATOM 0 HD22 LEU A 59 7.214 -11.462 20.993 1.00 21.20 H new ATOM 0 HD23 LEU A 59 5.604 -12.208 20.861 1.00 21.20 H new ATOM 964 N GLY A 60 5.393 -7.927 18.042 1.00 43.32 N ATOM 965 CA GLY A 60 5.278 -6.773 17.169 1.00 71.11 C ATOM 966 C GLY A 60 6.049 -5.575 17.686 1.00 23.12 C ATOM 967 O GLY A 60 6.646 -4.829 16.909 1.00 50.30 O ATOM 0 H GLY A 60 4.504 -8.330 18.339 1.00 43.32 H new ATOM 0 HA2 GLY A 60 5.643 -7.035 16.176 1.00 71.11 H new ATOM 0 HA3 GLY A 60 4.227 -6.506 17.062 1.00 71.11 H new ATOM 971 N LEU A 61 6.037 -5.389 19.001 1.00 10.34 N ATOM 972 CA LEU A 61 6.740 -4.271 19.622 1.00 32.23 C ATOM 973 C LEU A 61 8.241 -4.364 19.369 1.00 1.03 C ATOM 974 O LEU A 61 8.867 -3.401 18.925 1.00 12.15 O ATOM 975 CB LEU A 61 6.465 -4.243 21.127 1.00 64.31 C ATOM 976 CG LEU A 61 6.367 -2.857 21.766 1.00 61.54 C ATOM 977 CD1 LEU A 61 6.266 -2.973 23.279 1.00 62.03 C ATOM 978 CD2 LEU A 61 7.563 -2.003 21.373 1.00 65.13 C ATOM 0 H LEU A 61 5.549 -5.997 19.658 1.00 10.34 H new ATOM 0 HA LEU A 61 6.372 -3.348 19.174 1.00 32.23 H new ATOM 0 HB2 LEU A 61 5.532 -4.775 21.316 1.00 64.31 H new ATOM 0 HB3 LEU A 61 7.256 -4.798 21.631 1.00 64.31 H new ATOM 0 HG LEU A 61 5.463 -2.371 21.398 1.00 61.54 H new ATOM 0 HD11 LEU A 61 6.197 -1.977 23.716 1.00 62.03 H new ATOM 0 HD12 LEU A 61 5.377 -3.547 23.541 1.00 62.03 H new ATOM 0 HD13 LEU A 61 7.151 -3.478 23.665 1.00 62.03 H new ATOM 0 HD21 LEU A 61 7.476 -1.020 21.837 1.00 65.13 H new ATOM 0 HD22 LEU A 61 8.481 -2.484 21.711 1.00 65.13 H new ATOM 0 HD23 LEU A 61 7.590 -1.892 20.289 1.00 65.13 H new ATOM 990 N TYR A 62 8.812 -5.529 19.652 1.00 25.24 N ATOM 991 CA TYR A 62 10.241 -5.748 19.456 1.00 54.12 C ATOM 992 C TYR A 62 10.614 -5.615 17.983 1.00 63.24 C ATOM 993 O TYR A 62 11.722 -5.194 17.646 1.00 12.21 O ATOM 994 CB TYR A 62 10.642 -7.130 19.973 1.00 60.52 C ATOM 995 CG TYR A 62 11.062 -7.135 21.425 1.00 34.44 C ATOM 996 CD1 TYR A 62 12.072 -6.297 21.880 1.00 41.34 C ATOM 997 CD2 TYR A 62 10.449 -7.979 22.343 1.00 34.13 C ATOM 998 CE1 TYR A 62 12.459 -6.298 23.206 1.00 64.23 C ATOM 999 CE2 TYR A 62 10.828 -7.986 23.671 1.00 23.24 C ATOM 1000 CZ TYR A 62 11.834 -7.144 24.098 1.00 62.32 C ATOM 1001 OH TYR A 62 12.216 -7.149 25.420 1.00 64.43 O ATOM 0 H TYR A 62 8.308 -6.337 20.018 1.00 25.24 H new ATOM 0 HA TYR A 62 10.781 -4.987 20.019 1.00 54.12 H new ATOM 0 HB2 TYR A 62 9.803 -7.814 19.844 1.00 60.52 H new ATOM 0 HB3 TYR A 62 11.462 -7.512 19.365 1.00 60.52 H new ATOM 0 HD1 TYR A 62 12.564 -5.633 21.185 1.00 41.34 H new ATOM 0 HD2 TYR A 62 9.662 -8.641 22.012 1.00 34.13 H new ATOM 0 HE1 TYR A 62 13.247 -5.640 23.542 1.00 64.23 H new ATOM 0 HE2 TYR A 62 10.339 -8.647 24.372 1.00 23.24 H new ATOM 0 HH TYR A 62 11.676 -7.801 25.914 1.00 64.43 H new ATOM 1011 N LEU A 63 9.682 -5.977 17.108 1.00 64.31 N ATOM 1012 CA LEU A 63 9.912 -5.899 15.669 1.00 14.33 C ATOM 1013 C LEU A 63 10.010 -4.447 15.212 1.00 12.11 C ATOM 1014 O LEU A 63 11.002 -4.042 14.607 1.00 70.42 O ATOM 1015 CB LEU A 63 8.786 -6.608 14.914 1.00 22.23 C ATOM 1016 CG LEU A 63 8.868 -6.561 13.388 1.00 11.41 C ATOM 1017 CD1 LEU A 63 8.244 -5.278 12.860 1.00 72.41 C ATOM 1018 CD2 LEU A 63 10.313 -6.682 12.927 1.00 1.33 C ATOM 0 H LEU A 63 8.760 -6.327 17.369 1.00 64.31 H new ATOM 0 HA LEU A 63 10.857 -6.395 15.449 1.00 14.33 H new ATOM 0 HB2 LEU A 63 8.769 -7.653 15.225 1.00 22.23 H new ATOM 0 HB3 LEU A 63 7.837 -6.168 15.221 1.00 22.23 H new ATOM 0 HG LEU A 63 8.308 -7.406 12.987 1.00 11.41 H new ATOM 0 HD11 LEU A 63 8.311 -5.262 11.772 1.00 72.41 H new ATOM 0 HD12 LEU A 63 7.197 -5.233 13.160 1.00 72.41 H new ATOM 0 HD13 LEU A 63 8.776 -4.419 13.269 1.00 72.41 H new ATOM 0 HD21 LEU A 63 10.352 -6.647 11.838 1.00 1.33 H new ATOM 0 HD22 LEU A 63 10.896 -5.858 13.338 1.00 1.33 H new ATOM 0 HD23 LEU A 63 10.728 -7.628 13.274 1.00 1.33 H new ATOM 1030 N MET A 64 8.975 -3.668 15.508 1.00 53.53 N ATOM 1031 CA MET A 64 8.946 -2.259 15.130 1.00 64.33 C ATOM 1032 C MET A 64 10.081 -1.493 15.803 1.00 54.14 C ATOM 1033 O MET A 64 10.581 -0.507 15.264 1.00 52.43 O ATOM 1034 CB MET A 64 7.601 -1.635 15.505 1.00 72.51 C ATOM 1035 CG MET A 64 7.522 -1.188 16.956 1.00 73.24 C ATOM 1036 SD MET A 64 7.942 0.552 17.170 1.00 42.02 S ATOM 1037 CE MET A 64 7.453 0.811 18.873 1.00 2.32 C ATOM 0 H MET A 64 8.146 -3.988 16.008 1.00 53.53 H new ATOM 0 HA MET A 64 9.078 -2.195 14.050 1.00 64.33 H new ATOM 0 HB2 MET A 64 7.415 -0.777 14.859 1.00 72.51 H new ATOM 0 HB3 MET A 64 6.808 -2.358 15.312 1.00 72.51 H new ATOM 0 HG2 MET A 64 6.514 -1.363 17.332 1.00 73.24 H new ATOM 0 HG3 MET A 64 8.197 -1.797 17.557 1.00 73.24 H new ATOM 0 HE1 MET A 64 7.517 1.872 19.113 1.00 2.32 H new ATOM 0 HE2 MET A 64 6.428 0.469 19.013 1.00 2.32 H new ATOM 0 HE3 MET A 64 8.116 0.250 19.531 1.00 2.32 H new ATOM 1047 N ASN A 65 10.481 -1.953 16.983 1.00 22.33 N ATOM 1048 CA ASN A 65 11.556 -1.310 17.730 1.00 42.11 C ATOM 1049 C ASN A 65 12.903 -1.539 17.051 1.00 40.02 C ATOM 1050 O ASN A 65 13.693 -0.609 16.885 1.00 50.05 O ATOM 1051 CB ASN A 65 11.599 -1.841 19.164 1.00 75.51 C ATOM 1052 CG ASN A 65 12.282 -0.880 20.117 1.00 15.11 C ATOM 1053 OD1 ASN A 65 12.349 0.322 19.861 1.00 14.53 O ATOM 1054 ND2 ASN A 65 12.793 -1.407 21.224 1.00 52.04 N ATOM 0 H ASN A 65 10.077 -2.769 17.443 1.00 22.33 H new ATOM 0 HA ASN A 65 11.357 -0.238 17.753 1.00 42.11 H new ATOM 0 HB2 ASN A 65 10.582 -2.029 19.509 1.00 75.51 H new ATOM 0 HB3 ASN A 65 12.123 -2.797 19.179 1.00 75.51 H new ATOM 0 HD21 ASN A 65 13.264 -0.809 21.903 1.00 52.04 H new ATOM 0 HD22 ASN A 65 12.714 -2.409 21.395 1.00 52.04 H new ATOM 1061 N HIS A 66 13.158 -2.783 16.660 1.00 63.55 N ATOM 1062 CA HIS A 66 14.409 -3.135 15.997 1.00 62.20 C ATOM 1063 C HIS A 66 14.507 -2.465 14.630 1.00 40.01 C ATOM 1064 O HIS A 66 15.594 -2.099 14.183 1.00 1.40 O ATOM 1065 CB HIS A 66 14.520 -4.652 15.843 1.00 24.42 C ATOM 1066 CG HIS A 66 15.933 -5.146 15.782 1.00 20.31 C ATOM 1067 ND1 HIS A 66 16.594 -5.672 16.872 1.00 61.41 N ATOM 1068 CD2 HIS A 66 16.811 -5.194 14.753 1.00 54.43 C ATOM 1069 CE1 HIS A 66 17.818 -6.020 16.516 1.00 72.31 C ATOM 1070 NE2 HIS A 66 17.974 -5.741 15.235 1.00 44.45 N ATOM 0 H HIS A 66 12.515 -3.564 16.791 1.00 63.55 H new ATOM 0 HA HIS A 66 15.232 -2.779 16.617 1.00 62.20 H new ATOM 0 HB2 HIS A 66 14.012 -5.132 16.679 1.00 24.42 H new ATOM 0 HB3 HIS A 66 13.998 -4.956 14.936 1.00 24.42 H new ATOM 0 HD2 HIS A 66 16.630 -4.863 13.741 1.00 54.43 H new ATOM 0 HE1 HIS A 66 18.564 -6.458 17.163 1.00 72.31 H new ATOM 0 HE2 HIS A 66 18.821 -5.905 14.692 1.00 44.45 H new ATOM 1078 N VAL A 67 13.364 -2.308 13.970 1.00 71.54 N ATOM 1079 CA VAL A 67 13.321 -1.682 12.654 1.00 73.33 C ATOM 1080 C VAL A 67 13.597 -0.186 12.748 1.00 43.02 C ATOM 1081 O VAL A 67 14.507 0.330 12.098 1.00 11.34 O ATOM 1082 CB VAL A 67 11.956 -1.899 11.973 1.00 31.15 C ATOM 1083 CG1 VAL A 67 11.934 -1.247 10.600 1.00 42.34 C ATOM 1084 CG2 VAL A 67 11.641 -3.384 11.873 1.00 64.14 C ATOM 0 H VAL A 67 12.455 -2.606 14.325 1.00 71.54 H new ATOM 0 HA VAL A 67 14.098 -2.155 12.053 1.00 73.33 H new ATOM 0 HB VAL A 67 11.186 -1.428 12.584 1.00 31.15 H new ATOM 0 HG11 VAL A 67 10.962 -1.411 10.135 1.00 42.34 H new ATOM 0 HG12 VAL A 67 12.111 -0.176 10.703 1.00 42.34 H new ATOM 0 HG13 VAL A 67 12.713 -1.685 9.977 1.00 42.34 H new ATOM 0 HG21 VAL A 67 10.673 -3.519 11.390 1.00 64.14 H new ATOM 0 HG22 VAL A 67 12.413 -3.881 11.285 1.00 64.14 H new ATOM 0 HG23 VAL A 67 11.611 -3.818 12.873 1.00 64.14 H new ATOM 1094 N VAL A 68 12.806 0.506 13.561 1.00 4.54 N ATOM 1095 CA VAL A 68 12.967 1.944 13.743 1.00 54.35 C ATOM 1096 C VAL A 68 14.349 2.278 14.292 1.00 41.45 C ATOM 1097 O VAL A 68 14.924 3.315 13.962 1.00 40.32 O ATOM 1098 CB VAL A 68 11.897 2.513 14.694 1.00 23.32 C ATOM 1099 CG1 VAL A 68 10.501 2.204 14.175 1.00 64.31 C ATOM 1100 CG2 VAL A 68 12.087 1.960 16.099 1.00 51.32 C ATOM 0 H VAL A 68 12.047 0.094 14.104 1.00 4.54 H new ATOM 0 HA VAL A 68 12.850 2.402 12.761 1.00 54.35 H new ATOM 0 HB VAL A 68 12.011 3.596 14.735 1.00 23.32 H new ATOM 0 HG11 VAL A 68 9.759 2.614 14.860 1.00 64.31 H new ATOM 0 HG12 VAL A 68 10.372 2.652 13.190 1.00 64.31 H new ATOM 0 HG13 VAL A 68 10.370 1.124 14.103 1.00 64.31 H new ATOM 0 HG21 VAL A 68 11.323 2.372 16.758 1.00 51.32 H new ATOM 0 HG22 VAL A 68 12.000 0.874 16.077 1.00 51.32 H new ATOM 0 HG23 VAL A 68 13.074 2.238 16.469 1.00 51.32 H new ATOM 1110 N GLN A 69 14.877 1.392 15.130 1.00 13.41 N ATOM 1111 CA GLN A 69 16.193 1.594 15.725 1.00 35.11 C ATOM 1112 C GLN A 69 17.294 1.399 14.689 1.00 63.52 C ATOM 1113 O GLN A 69 18.331 2.060 14.740 1.00 20.42 O ATOM 1114 CB GLN A 69 16.400 0.630 16.895 1.00 54.31 C ATOM 1115 CG GLN A 69 15.783 1.113 18.198 1.00 53.44 C ATOM 1116 CD GLN A 69 16.085 0.193 19.363 1.00 22.33 C ATOM 1117 OE1 GLN A 69 17.170 -0.385 19.448 1.00 14.53 O ATOM 1118 NE2 GLN A 69 15.126 0.050 20.270 1.00 13.42 N ATOM 0 H GLN A 69 14.414 0.528 15.412 1.00 13.41 H new ATOM 0 HA GLN A 69 16.244 2.618 16.094 1.00 35.11 H new ATOM 0 HB2 GLN A 69 15.972 -0.339 16.637 1.00 54.31 H new ATOM 0 HB3 GLN A 69 17.469 0.477 17.044 1.00 54.31 H new ATOM 0 HG2 GLN A 69 16.155 2.112 18.423 1.00 53.44 H new ATOM 0 HG3 GLN A 69 14.703 1.195 18.076 1.00 53.44 H new ATOM 0 HE21 GLN A 69 14.242 0.548 20.161 1.00 13.42 H new ATOM 0 HE22 GLN A 69 15.273 -0.557 21.076 1.00 13.42 H new ATOM 1127 N GLN A 70 17.062 0.487 13.750 1.00 20.31 N ATOM 1128 CA GLN A 70 18.036 0.204 12.703 1.00 41.24 C ATOM 1129 C GLN A 70 18.051 1.316 11.659 1.00 74.25 C ATOM 1130 O GLN A 70 19.108 1.697 11.158 1.00 4.25 O ATOM 1131 CB GLN A 70 17.723 -1.136 12.034 1.00 44.41 C ATOM 1132 CG GLN A 70 18.428 -2.317 12.681 1.00 72.34 C ATOM 1133 CD GLN A 70 19.309 -3.075 11.708 1.00 65.04 C ATOM 1134 OE1 GLN A 70 19.082 -4.254 11.435 1.00 64.11 O ATOM 1135 NE2 GLN A 70 20.323 -2.400 11.178 1.00 72.15 N ATOM 0 H GLN A 70 16.208 -0.068 13.693 1.00 20.31 H new ATOM 0 HA GLN A 70 19.022 0.150 13.164 1.00 41.24 H new ATOM 0 HB2 GLN A 70 16.647 -1.305 12.064 1.00 44.41 H new ATOM 0 HB3 GLN A 70 18.009 -1.084 10.983 1.00 44.41 H new ATOM 0 HG2 GLN A 70 19.035 -1.961 13.514 1.00 72.34 H new ATOM 0 HG3 GLN A 70 17.684 -2.996 13.097 1.00 72.34 H new ATOM 0 HE21 GLN A 70 20.474 -1.424 11.432 1.00 72.15 H new ATOM 0 HE22 GLN A 70 20.950 -2.858 10.517 1.00 72.15 H new ATOM 1144 N ALA A 71 16.869 1.831 11.334 1.00 45.42 N ATOM 1145 CA ALA A 71 16.747 2.900 10.351 1.00 52.35 C ATOM 1146 C ALA A 71 17.648 4.078 10.705 1.00 43.13 C ATOM 1147 O ALA A 71 18.070 4.835 9.830 1.00 4.45 O ATOM 1148 CB ALA A 71 15.299 3.355 10.243 1.00 12.12 C ATOM 0 H ALA A 71 15.983 1.525 11.737 1.00 45.42 H new ATOM 0 HA ALA A 71 17.067 2.509 9.385 1.00 52.35 H new ATOM 0 HB1 ALA A 71 15.223 4.154 9.505 1.00 12.12 H new ATOM 0 HB2 ALA A 71 14.676 2.516 9.935 1.00 12.12 H new ATOM 0 HB3 ALA A 71 14.960 3.722 11.212 1.00 12.12 H new ATOM 1154 N LYS A 72 17.940 4.228 11.992 1.00 33.14 N ATOM 1155 CA LYS A 72 18.792 5.313 12.463 1.00 13.33 C ATOM 1156 C LYS A 72 20.112 5.340 11.699 1.00 34.42 C ATOM 1157 O LYS A 72 20.643 6.407 11.395 1.00 74.23 O ATOM 1158 CB LYS A 72 19.061 5.164 13.962 1.00 10.24 C ATOM 1159 CG LYS A 72 17.915 5.642 14.837 1.00 54.02 C ATOM 1160 CD LYS A 72 18.420 6.383 16.063 1.00 21.34 C ATOM 1161 CE LYS A 72 19.068 7.707 15.688 1.00 74.34 C ATOM 1162 NZ LYS A 72 20.271 7.991 16.517 1.00 23.30 N ATOM 0 H LYS A 72 17.599 3.611 12.729 1.00 33.14 H new ATOM 0 HA LYS A 72 18.271 6.254 12.285 1.00 13.33 H new ATOM 0 HB2 LYS A 72 19.263 4.116 14.184 1.00 10.24 H new ATOM 0 HB3 LYS A 72 19.961 5.724 14.218 1.00 10.24 H new ATOM 0 HG2 LYS A 72 17.263 6.296 14.258 1.00 54.02 H new ATOM 0 HG3 LYS A 72 17.314 4.788 15.149 1.00 54.02 H new ATOM 0 HD2 LYS A 72 17.591 6.564 16.747 1.00 21.34 H new ATOM 0 HD3 LYS A 72 19.141 5.761 16.593 1.00 21.34 H new ATOM 0 HE2 LYS A 72 19.349 7.688 14.635 1.00 74.34 H new ATOM 0 HE3 LYS A 72 18.344 8.513 15.810 1.00 74.34 H new ATOM 0 HZ1 LYS A 72 20.683 8.902 16.230 1.00 23.30 H new ATOM 0 HZ2 LYS A 72 19.999 8.034 17.520 1.00 23.30 H new ATOM 0 HZ3 LYS A 72 20.973 7.235 16.381 1.00 23.30 H new ATOM 1176 N GLY A 73 20.636 4.157 11.391 1.00 53.11 N ATOM 1177 CA GLY A 73 21.888 4.068 10.664 1.00 63.34 C ATOM 1178 C GLY A 73 21.700 4.201 9.166 1.00 73.35 C ATOM 1179 O GLY A 73 22.662 4.415 8.430 1.00 44.44 O ATOM 0 H GLY A 73 20.215 3.260 11.632 1.00 53.11 H new ATOM 0 HA2 GLY A 73 22.563 4.849 11.013 1.00 63.34 H new ATOM 0 HA3 GLY A 73 22.365 3.113 10.884 1.00 63.34 H new ATOM 1183 N GLN A 74 20.457 4.071 8.713 1.00 14.34 N ATOM 1184 CA GLN A 74 20.146 4.176 7.293 1.00 43.15 C ATOM 1185 C GLN A 74 19.511 5.525 6.972 1.00 3.31 C ATOM 1186 O GLN A 74 19.415 6.399 7.834 1.00 4.02 O ATOM 1187 CB GLN A 74 19.209 3.044 6.869 1.00 54.31 C ATOM 1188 CG GLN A 74 19.927 1.737 6.576 1.00 74.13 C ATOM 1189 CD GLN A 74 20.990 1.411 7.606 1.00 12.22 C ATOM 1190 OE1 GLN A 74 22.178 1.646 7.385 1.00 40.23 O ATOM 1191 NE2 GLN A 74 20.567 0.867 8.741 1.00 3.04 N ATOM 0 H GLN A 74 19.649 3.893 9.309 1.00 14.34 H new ATOM 0 HA GLN A 74 21.079 4.093 6.736 1.00 43.15 H new ATOM 0 HB2 GLN A 74 18.475 2.877 7.657 1.00 54.31 H new ATOM 0 HB3 GLN A 74 18.658 3.353 5.981 1.00 54.31 H new ATOM 0 HG2 GLN A 74 19.199 0.927 6.542 1.00 74.13 H new ATOM 0 HG3 GLN A 74 20.387 1.793 5.590 1.00 74.13 H new ATOM 0 HE21 GLN A 74 19.572 0.690 8.882 1.00 3.04 H new ATOM 0 HE22 GLN A 74 21.237 0.627 9.472 1.00 3.04 H new ATOM 1200 N LYS A 75 19.079 5.689 5.726 1.00 10.14 N ATOM 1201 CA LYS A 75 18.452 6.931 5.291 1.00 51.32 C ATOM 1202 C LYS A 75 16.934 6.846 5.411 1.00 32.14 C ATOM 1203 O LYS A 75 16.208 7.164 4.469 1.00 42.41 O ATOM 1204 CB LYS A 75 18.842 7.244 3.845 1.00 65.05 C ATOM 1205 CG LYS A 75 20.308 7.605 3.675 1.00 61.43 C ATOM 1206 CD LYS A 75 20.640 7.922 2.226 1.00 21.32 C ATOM 1207 CE LYS A 75 22.137 7.845 1.968 1.00 40.12 C ATOM 1208 NZ LYS A 75 22.635 6.442 2.002 1.00 73.10 N ATOM 0 H LYS A 75 19.152 4.977 5.000 1.00 10.14 H new ATOM 0 HA LYS A 75 18.806 7.733 5.939 1.00 51.32 H new ATOM 0 HB2 LYS A 75 18.615 6.380 3.221 1.00 65.05 H new ATOM 0 HB3 LYS A 75 18.229 8.069 3.483 1.00 65.05 H new ATOM 0 HG2 LYS A 75 20.547 8.465 4.300 1.00 61.43 H new ATOM 0 HG3 LYS A 75 20.930 6.778 4.019 1.00 61.43 H new ATOM 0 HD2 LYS A 75 20.120 7.223 1.571 1.00 21.32 H new ATOM 0 HD3 LYS A 75 20.278 8.920 1.978 1.00 21.32 H new ATOM 0 HE2 LYS A 75 22.361 8.286 0.997 1.00 40.12 H new ATOM 0 HE3 LYS A 75 22.665 8.436 2.716 1.00 40.12 H new ATOM 0 HZ1 LYS A 75 23.562 6.391 1.534 1.00 73.10 H new ATOM 0 HZ2 LYS A 75 22.729 6.131 2.990 1.00 73.10 H new ATOM 0 HZ3 LYS A 75 21.962 5.823 1.506 1.00 73.10 H new ATOM 1222 N ILE A 76 16.461 6.416 6.576 1.00 33.12 N ATOM 1223 CA ILE A 76 15.029 6.292 6.820 1.00 71.23 C ATOM 1224 C ILE A 76 14.592 7.166 7.990 1.00 4.51 C ATOM 1225 O ILE A 76 14.954 6.909 9.139 1.00 52.23 O ATOM 1226 CB ILE A 76 14.631 4.832 7.108 1.00 43.10 C ATOM 1227 CG1 ILE A 76 15.708 3.876 6.591 1.00 73.34 C ATOM 1228 CG2 ILE A 76 13.285 4.515 6.475 1.00 53.11 C ATOM 1229 CD1 ILE A 76 15.903 3.939 5.092 1.00 53.31 C ATOM 0 H ILE A 76 17.048 6.148 7.366 1.00 33.12 H new ATOM 0 HA ILE A 76 14.525 6.626 5.913 1.00 71.23 H new ATOM 0 HB ILE A 76 14.543 4.701 8.186 1.00 43.10 H new ATOM 0 HG12 ILE A 76 16.653 4.107 7.082 1.00 73.34 H new ATOM 0 HG13 ILE A 76 15.443 2.857 6.872 1.00 73.34 H new ATOM 0 HG21 ILE A 76 13.018 3.480 6.687 1.00 53.11 H new ATOM 0 HG22 ILE A 76 12.524 5.178 6.887 1.00 53.11 H new ATOM 0 HG23 ILE A 76 13.347 4.660 5.396 1.00 53.11 H new ATOM 0 HD11 ILE A 76 16.681 3.235 4.796 1.00 53.31 H new ATOM 0 HD12 ILE A 76 14.970 3.679 4.592 1.00 53.31 H new ATOM 0 HD13 ILE A 76 16.199 4.948 4.806 1.00 53.31 H new ATOM 1241 N ILE A 77 13.812 8.200 7.691 1.00 63.42 N ATOM 1242 CA ILE A 77 13.324 9.110 8.719 1.00 50.44 C ATOM 1243 C ILE A 77 11.801 9.086 8.796 1.00 42.40 C ATOM 1244 O ILE A 77 11.217 9.430 9.823 1.00 23.45 O ATOM 1245 CB ILE A 77 13.791 10.555 8.459 1.00 72.13 C ATOM 1246 CG1 ILE A 77 15.319 10.618 8.401 1.00 75.44 C ATOM 1247 CG2 ILE A 77 13.258 11.486 9.537 1.00 33.04 C ATOM 1248 CD1 ILE A 77 15.857 12.007 8.138 1.00 73.30 C ATOM 0 H ILE A 77 13.505 8.428 6.745 1.00 63.42 H new ATOM 0 HA ILE A 77 13.739 8.768 9.667 1.00 50.44 H new ATOM 0 HB ILE A 77 13.396 10.881 7.497 1.00 72.13 H new ATOM 0 HG12 ILE A 77 15.726 10.252 9.344 1.00 75.44 H new ATOM 0 HG13 ILE A 77 15.673 9.946 7.619 1.00 75.44 H new ATOM 0 HG21 ILE A 77 13.597 12.503 9.339 1.00 33.04 H new ATOM 0 HG22 ILE A 77 12.168 11.459 9.535 1.00 33.04 H new ATOM 0 HG23 ILE A 77 13.627 11.164 10.511 1.00 33.04 H new ATOM 0 HD11 ILE A 77 16.946 11.976 8.110 1.00 73.30 H new ATOM 0 HD12 ILE A 77 15.480 12.368 7.181 1.00 73.30 H new ATOM 0 HD13 ILE A 77 15.533 12.679 8.933 1.00 73.30 H new ATOM 1260 N GLN A 78 11.165 8.677 7.703 1.00 0.21 N ATOM 1261 CA GLN A 78 9.710 8.607 7.648 1.00 14.22 C ATOM 1262 C GLN A 78 9.189 7.440 8.480 1.00 31.11 C ATOM 1263 O GLN A 78 8.158 7.549 9.145 1.00 61.35 O ATOM 1264 CB GLN A 78 9.239 8.466 6.199 1.00 1.45 C ATOM 1265 CG GLN A 78 9.901 7.319 5.454 1.00 72.22 C ATOM 1266 CD GLN A 78 10.434 7.735 4.097 1.00 23.22 C ATOM 1267 OE1 GLN A 78 10.007 7.218 3.064 1.00 1.52 O ATOM 1268 NE2 GLN A 78 11.374 8.674 4.093 1.00 74.53 N ATOM 0 H GLN A 78 11.634 8.389 6.844 1.00 0.21 H new ATOM 0 HA GLN A 78 9.311 9.532 8.064 1.00 14.22 H new ATOM 0 HB2 GLN A 78 8.159 8.319 6.189 1.00 1.45 H new ATOM 0 HB3 GLN A 78 9.439 9.397 5.668 1.00 1.45 H new ATOM 0 HG2 GLN A 78 10.719 6.924 6.056 1.00 72.22 H new ATOM 0 HG3 GLN A 78 9.181 6.511 5.325 1.00 72.22 H new ATOM 0 HE21 GLN A 78 11.698 9.075 4.973 1.00 74.53 H new ATOM 0 HE22 GLN A 78 11.771 8.994 3.210 1.00 74.53 H new ATOM 1277 N PHE A 79 9.908 6.323 8.439 1.00 40.12 N ATOM 1278 CA PHE A 79 9.518 5.134 9.188 1.00 53.40 C ATOM 1279 C PHE A 79 9.444 5.433 10.683 1.00 44.25 C ATOM 1280 O PHE A 79 8.455 5.115 11.341 1.00 14.30 O ATOM 1281 CB PHE A 79 10.508 3.996 8.932 1.00 51.41 C ATOM 1282 CG PHE A 79 9.866 2.756 8.379 1.00 11.20 C ATOM 1283 CD1 PHE A 79 8.700 2.256 8.937 1.00 42.15 C ATOM 1284 CD2 PHE A 79 10.428 2.090 7.302 1.00 4.21 C ATOM 1285 CE1 PHE A 79 8.107 1.115 8.430 1.00 55.31 C ATOM 1286 CE2 PHE A 79 9.839 0.949 6.791 1.00 41.30 C ATOM 1287 CZ PHE A 79 8.678 0.461 7.356 1.00 35.53 C ATOM 0 H PHE A 79 10.764 6.216 7.895 1.00 40.12 H new ATOM 0 HA PHE A 79 8.529 4.829 8.847 1.00 53.40 H new ATOM 0 HB2 PHE A 79 11.273 4.340 8.236 1.00 51.41 H new ATOM 0 HB3 PHE A 79 11.014 3.748 9.865 1.00 51.41 H new ATOM 0 HD1 PHE A 79 8.250 2.764 9.777 1.00 42.15 H new ATOM 0 HD2 PHE A 79 11.337 2.467 6.857 1.00 4.21 H new ATOM 0 HE1 PHE A 79 7.198 0.735 8.873 1.00 55.31 H new ATOM 0 HE2 PHE A 79 10.287 0.440 5.950 1.00 41.30 H new ATOM 0 HZ PHE A 79 8.217 -0.431 6.959 1.00 35.53 H new ATOM 1297 N GLN A 80 10.500 6.045 11.210 1.00 54.50 N ATOM 1298 CA GLN A 80 10.555 6.386 12.627 1.00 65.03 C ATOM 1299 C GLN A 80 9.503 7.433 12.977 1.00 60.31 C ATOM 1300 O GLN A 80 8.958 7.434 14.081 1.00 73.23 O ATOM 1301 CB GLN A 80 11.948 6.902 12.994 1.00 14.42 C ATOM 1302 CG GLN A 80 12.347 8.162 12.243 1.00 12.54 C ATOM 1303 CD GLN A 80 13.659 8.743 12.734 1.00 55.23 C ATOM 1304 OE1 GLN A 80 13.780 9.953 12.931 1.00 21.53 O ATOM 1305 NE2 GLN A 80 14.650 7.882 12.933 1.00 15.24 N ATOM 0 H GLN A 80 11.328 6.314 10.678 1.00 54.50 H new ATOM 0 HA GLN A 80 10.346 5.483 13.201 1.00 65.03 H new ATOM 0 HB2 GLN A 80 11.982 7.101 14.065 1.00 14.42 H new ATOM 0 HB3 GLN A 80 12.681 6.121 12.792 1.00 14.42 H new ATOM 0 HG2 GLN A 80 12.429 7.936 11.180 1.00 12.54 H new ATOM 0 HG3 GLN A 80 11.560 8.909 12.350 1.00 12.54 H new ATOM 0 HE21 GLN A 80 14.505 6.888 12.757 1.00 15.24 H new ATOM 0 HE22 GLN A 80 15.556 8.215 13.262 1.00 15.24 H new ATOM 1314 N ASP A 81 9.223 8.322 12.031 1.00 52.12 N ATOM 1315 CA ASP A 81 8.235 9.374 12.239 1.00 12.40 C ATOM 1316 C ASP A 81 6.821 8.800 12.239 1.00 4.41 C ATOM 1317 O ASP A 81 5.943 9.287 12.951 1.00 2.11 O ATOM 1318 CB ASP A 81 8.363 10.446 11.155 1.00 25.12 C ATOM 1319 CG ASP A 81 7.394 11.594 11.358 1.00 61.30 C ATOM 1320 OD1 ASP A 81 7.497 12.280 12.396 1.00 50.32 O ATOM 1321 OD2 ASP A 81 6.532 11.805 10.479 1.00 31.03 O ATOM 0 H ASP A 81 9.666 8.335 11.112 1.00 52.12 H new ATOM 0 HA ASP A 81 8.424 9.828 13.212 1.00 12.40 H new ATOM 0 HB2 ASP A 81 9.382 10.832 11.148 1.00 25.12 H new ATOM 0 HB3 ASP A 81 8.187 9.994 10.179 1.00 25.12 H new ATOM 1326 N SER A 82 6.609 7.764 11.435 1.00 62.51 N ATOM 1327 CA SER A 82 5.301 7.126 11.338 1.00 2.24 C ATOM 1328 C SER A 82 5.044 6.229 12.545 1.00 71.41 C ATOM 1329 O SER A 82 3.965 6.259 13.137 1.00 72.21 O ATOM 1330 CB SER A 82 5.203 6.308 10.049 1.00 31.15 C ATOM 1331 OG SER A 82 5.610 7.072 8.928 1.00 44.21 O ATOM 0 H SER A 82 7.326 7.348 10.841 1.00 62.51 H new ATOM 0 HA SER A 82 4.542 7.909 11.321 1.00 2.24 H new ATOM 0 HB2 SER A 82 5.826 5.417 10.132 1.00 31.15 H new ATOM 0 HB3 SER A 82 4.177 5.967 9.908 1.00 31.15 H new ATOM 0 HG SER A 82 6.586 7.155 8.926 1.00 44.21 H new ATOM 1337 N PHE A 83 6.043 5.430 12.904 1.00 64.20 N ATOM 1338 CA PHE A 83 5.927 4.522 14.039 1.00 35.11 C ATOM 1339 C PHE A 83 5.804 5.299 15.347 1.00 60.14 C ATOM 1340 O PHE A 83 5.370 4.760 16.364 1.00 71.34 O ATOM 1341 CB PHE A 83 7.137 3.588 14.099 1.00 1.02 C ATOM 1342 CG PHE A 83 6.955 2.320 13.316 1.00 62.34 C ATOM 1343 CD1 PHE A 83 5.845 1.516 13.521 1.00 24.11 C ATOM 1344 CD2 PHE A 83 7.894 1.931 12.373 1.00 14.40 C ATOM 1345 CE1 PHE A 83 5.676 0.348 12.802 1.00 62.11 C ATOM 1346 CE2 PHE A 83 7.729 0.765 11.650 1.00 25.44 C ATOM 1347 CZ PHE A 83 6.619 -0.028 11.865 1.00 54.44 C ATOM 0 H PHE A 83 6.943 5.393 12.425 1.00 64.20 H new ATOM 0 HA PHE A 83 5.024 3.926 13.904 1.00 35.11 H new ATOM 0 HB2 PHE A 83 8.013 4.116 13.721 1.00 1.02 H new ATOM 0 HB3 PHE A 83 7.341 3.337 15.140 1.00 1.02 H new ATOM 0 HD1 PHE A 83 5.104 1.806 14.251 1.00 24.11 H new ATOM 0 HD2 PHE A 83 8.765 2.547 12.201 1.00 14.40 H new ATOM 0 HE1 PHE A 83 4.807 -0.271 12.972 1.00 62.11 H new ATOM 0 HE2 PHE A 83 8.467 0.474 10.917 1.00 25.44 H new ATOM 0 HZ PHE A 83 6.488 -0.940 11.302 1.00 54.44 H new ATOM 1357 N GLY A 84 6.191 6.571 15.311 1.00 20.51 N ATOM 1358 CA GLY A 84 6.118 7.402 16.499 1.00 71.35 C ATOM 1359 C GLY A 84 4.716 7.914 16.762 1.00 32.54 C ATOM 1360 O GLY A 84 4.258 7.932 17.905 1.00 31.02 O ATOM 0 H GLY A 84 6.553 7.040 14.481 1.00 20.51 H new ATOM 0 HA2 GLY A 84 6.460 6.829 17.361 1.00 71.35 H new ATOM 0 HA3 GLY A 84 6.796 8.248 16.389 1.00 71.35 H new ATOM 1364 N LYS A 85 4.031 8.332 15.703 1.00 4.43 N ATOM 1365 CA LYS A 85 2.673 8.848 15.824 1.00 30.14 C ATOM 1366 C LYS A 85 1.703 7.738 16.217 1.00 52.20 C ATOM 1367 O LYS A 85 0.569 8.004 16.616 1.00 20.34 O ATOM 1368 CB LYS A 85 2.228 9.486 14.507 1.00 42.15 C ATOM 1369 CG LYS A 85 2.152 8.504 13.350 1.00 30.04 C ATOM 1370 CD LYS A 85 1.122 8.935 12.320 1.00 71.23 C ATOM 1371 CE LYS A 85 -0.267 8.425 12.673 1.00 61.22 C ATOM 1372 NZ LYS A 85 -1.005 9.382 13.543 1.00 43.02 N ATOM 0 H LYS A 85 4.395 8.323 14.750 1.00 4.43 H new ATOM 0 HA LYS A 85 2.668 9.606 16.607 1.00 30.14 H new ATOM 0 HB2 LYS A 85 1.249 9.945 14.648 1.00 42.15 H new ATOM 0 HB3 LYS A 85 2.921 10.286 14.248 1.00 42.15 H new ATOM 0 HG2 LYS A 85 3.130 8.423 12.876 1.00 30.04 H new ATOM 0 HG3 LYS A 85 1.898 7.514 13.728 1.00 30.04 H new ATOM 0 HD2 LYS A 85 1.105 10.023 12.254 1.00 71.23 H new ATOM 0 HD3 LYS A 85 1.409 8.560 11.338 1.00 71.23 H new ATOM 0 HE2 LYS A 85 -0.834 8.254 11.758 1.00 61.22 H new ATOM 0 HE3 LYS A 85 -0.183 7.464 13.180 1.00 61.22 H new ATOM 0 HZ1 LYS A 85 -2.028 9.265 13.398 1.00 43.02 H new ATOM 0 HZ2 LYS A 85 -0.773 9.195 14.539 1.00 43.02 H new ATOM 0 HZ3 LYS A 85 -0.730 10.355 13.300 1.00 43.02 H new ATOM 1386 N VAL A 86 2.156 6.494 16.102 1.00 61.11 N ATOM 1387 CA VAL A 86 1.329 5.344 16.447 1.00 21.03 C ATOM 1388 C VAL A 86 1.920 4.576 17.624 1.00 14.05 C ATOM 1389 O VAL A 86 1.330 3.610 18.107 1.00 71.31 O ATOM 1390 CB VAL A 86 1.171 4.387 15.251 1.00 23.52 C ATOM 1391 CG1 VAL A 86 0.502 5.096 14.084 1.00 34.30 C ATOM 1392 CG2 VAL A 86 2.523 3.823 14.839 1.00 73.23 C ATOM 0 H VAL A 86 3.092 6.257 15.772 1.00 61.11 H new ATOM 0 HA VAL A 86 0.349 5.731 16.725 1.00 21.03 H new ATOM 0 HB VAL A 86 0.533 3.557 15.554 1.00 23.52 H new ATOM 0 HG11 VAL A 86 0.399 4.404 13.248 1.00 34.30 H new ATOM 0 HG12 VAL A 86 -0.484 5.447 14.388 1.00 34.30 H new ATOM 0 HG13 VAL A 86 1.111 5.947 13.778 1.00 34.30 H new ATOM 0 HG21 VAL A 86 2.393 3.149 13.993 1.00 73.23 H new ATOM 0 HG22 VAL A 86 3.186 4.640 14.554 1.00 73.23 H new ATOM 0 HG23 VAL A 86 2.959 3.276 15.675 1.00 73.23 H new ATOM 1402 N ALA A 87 3.088 5.013 18.083 1.00 50.22 N ATOM 1403 CA ALA A 87 3.758 4.369 19.206 1.00 73.35 C ATOM 1404 C ALA A 87 3.065 4.702 20.523 1.00 61.24 C ATOM 1405 O ALA A 87 2.726 3.810 21.299 1.00 34.42 O ATOM 1406 CB ALA A 87 5.221 4.784 19.256 1.00 34.15 C ATOM 0 H ALA A 87 3.590 5.811 17.694 1.00 50.22 H new ATOM 0 HA ALA A 87 3.703 3.290 19.060 1.00 73.35 H new ATOM 0 HB1 ALA A 87 5.709 4.296 20.099 1.00 34.15 H new ATOM 0 HB2 ALA A 87 5.715 4.489 18.330 1.00 34.15 H new ATOM 0 HB3 ALA A 87 5.289 5.865 19.374 1.00 34.15 H new ATOM 1412 N ALA A 88 2.859 5.992 20.768 1.00 62.32 N ATOM 1413 CA ALA A 88 2.206 6.442 21.991 1.00 51.05 C ATOM 1414 C ALA A 88 0.818 5.826 22.130 1.00 11.13 C ATOM 1415 O ALA A 88 0.336 5.606 23.241 1.00 63.51 O ATOM 1416 CB ALA A 88 2.116 7.961 22.012 1.00 22.34 C ATOM 0 H ALA A 88 3.135 6.743 20.136 1.00 62.32 H new ATOM 0 HA ALA A 88 2.808 6.113 22.838 1.00 51.05 H new ATOM 0 HB1 ALA A 88 1.626 8.284 22.931 1.00 22.34 H new ATOM 0 HB2 ALA A 88 3.119 8.386 21.967 1.00 22.34 H new ATOM 0 HB3 ALA A 88 1.538 8.303 21.153 1.00 22.34 H new ATOM 1422 N GLU A 89 0.180 5.552 20.996 1.00 24.45 N ATOM 1423 CA GLU A 89 -1.153 4.962 20.994 1.00 15.52 C ATOM 1424 C GLU A 89 -1.083 3.457 21.231 1.00 75.53 C ATOM 1425 O GLU A 89 -1.640 2.943 22.201 1.00 24.44 O ATOM 1426 CB GLU A 89 -1.860 5.249 19.667 1.00 4.25 C ATOM 1427 CG GLU A 89 -3.373 5.145 19.749 1.00 73.13 C ATOM 1428 CD GLU A 89 -3.981 6.184 20.670 1.00 11.42 C ATOM 1429 OE1 GLU A 89 -3.491 7.333 20.675 1.00 21.24 O ATOM 1430 OE2 GLU A 89 -4.948 5.849 21.386 1.00 22.23 O ATOM 0 H GLU A 89 0.565 5.729 20.068 1.00 24.45 H new ATOM 0 HA GLU A 89 -1.723 5.413 21.806 1.00 15.52 H new ATOM 0 HB2 GLU A 89 -1.591 6.250 19.331 1.00 4.25 H new ATOM 0 HB3 GLU A 89 -1.497 4.551 18.913 1.00 4.25 H new ATOM 0 HG2 GLU A 89 -3.796 5.258 18.751 1.00 73.13 H new ATOM 0 HG3 GLU A 89 -3.646 4.150 20.100 1.00 73.13 H new ATOM 1437 N VAL A 90 -0.396 2.754 20.335 1.00 12.24 N ATOM 1438 CA VAL A 90 -0.252 1.307 20.446 1.00 53.53 C ATOM 1439 C VAL A 90 0.378 0.918 21.778 1.00 20.11 C ATOM 1440 O VAL A 90 -0.201 0.154 22.552 1.00 61.24 O ATOM 1441 CB VAL A 90 0.605 0.740 19.299 1.00 22.31 C ATOM 1442 CG1 VAL A 90 0.800 -0.759 19.470 1.00 60.25 C ATOM 1443 CG2 VAL A 90 -0.031 1.053 17.953 1.00 4.52 C ATOM 0 H VAL A 90 0.069 3.163 19.525 1.00 12.24 H new ATOM 0 HA VAL A 90 -1.254 0.883 20.385 1.00 53.53 H new ATOM 0 HB VAL A 90 1.585 1.216 19.331 1.00 22.31 H new ATOM 0 HG11 VAL A 90 1.408 -1.143 18.651 1.00 60.25 H new ATOM 0 HG12 VAL A 90 1.303 -0.955 20.417 1.00 60.25 H new ATOM 0 HG13 VAL A 90 -0.171 -1.255 19.465 1.00 60.25 H new ATOM 0 HG21 VAL A 90 0.588 0.645 17.154 1.00 4.52 H new ATOM 0 HG22 VAL A 90 -1.024 0.606 17.907 1.00 4.52 H new ATOM 0 HG23 VAL A 90 -0.114 2.133 17.832 1.00 4.52 H new ATOM 1453 N LEU A 91 1.567 1.448 22.041 1.00 44.11 N ATOM 1454 CA LEU A 91 2.278 1.157 23.281 1.00 33.33 C ATOM 1455 C LEU A 91 1.407 1.470 24.494 1.00 70.31 C ATOM 1456 O LEU A 91 1.364 0.702 25.455 1.00 53.34 O ATOM 1457 CB LEU A 91 3.576 1.962 23.350 1.00 42.41 C ATOM 1458 CG LEU A 91 4.556 1.756 22.194 1.00 11.31 C ATOM 1459 CD1 LEU A 91 5.692 2.764 22.271 1.00 23.04 C ATOM 1460 CD2 LEU A 91 5.099 0.335 22.203 1.00 65.02 C ATOM 0 H LEU A 91 2.060 2.082 21.412 1.00 44.11 H new ATOM 0 HA LEU A 91 2.517 0.094 23.292 1.00 33.33 H new ATOM 0 HB2 LEU A 91 3.321 3.021 23.400 1.00 42.41 H new ATOM 0 HB3 LEU A 91 4.086 1.713 24.281 1.00 42.41 H new ATOM 0 HG LEU A 91 4.022 1.913 21.257 1.00 11.31 H new ATOM 0 HD11 LEU A 91 6.379 2.602 21.441 1.00 23.04 H new ATOM 0 HD12 LEU A 91 5.286 3.774 22.215 1.00 23.04 H new ATOM 0 HD13 LEU A 91 6.226 2.639 23.213 1.00 23.04 H new ATOM 0 HD21 LEU A 91 5.795 0.206 21.374 1.00 65.02 H new ATOM 0 HD22 LEU A 91 5.617 0.150 23.144 1.00 65.02 H new ATOM 0 HD23 LEU A 91 4.275 -0.370 22.098 1.00 65.02 H new ATOM 1472 N GLY A 92 0.712 2.602 24.441 1.00 43.20 N ATOM 1473 CA GLY A 92 -0.150 2.996 25.540 1.00 61.30 C ATOM 1474 C GLY A 92 -1.323 2.053 25.723 1.00 43.00 C ATOM 1475 O GLY A 92 -1.808 1.864 26.839 1.00 42.34 O ATOM 0 H GLY A 92 0.731 3.253 23.656 1.00 43.20 H new ATOM 0 HA2 GLY A 92 0.432 3.029 26.461 1.00 61.30 H new ATOM 0 HA3 GLY A 92 -0.523 4.005 25.362 1.00 61.30 H new ATOM 1479 N ARG A 93 -1.781 1.461 24.625 1.00 62.11 N ATOM 1480 CA ARG A 93 -2.906 0.535 24.669 1.00 53.20 C ATOM 1481 C ARG A 93 -2.456 -0.847 25.133 1.00 4.21 C ATOM 1482 O ARG A 93 -2.990 -1.393 26.098 1.00 14.05 O ATOM 1483 CB ARG A 93 -3.564 0.433 23.292 1.00 72.13 C ATOM 1484 CG ARG A 93 -4.613 1.503 23.037 1.00 41.23 C ATOM 1485 CD ARG A 93 -5.880 1.244 23.837 1.00 63.21 C ATOM 1486 NE ARG A 93 -6.959 2.154 23.464 1.00 2.50 N ATOM 1487 CZ ARG A 93 -8.122 2.216 24.103 1.00 40.15 C ATOM 1488 NH1 ARG A 93 -8.355 1.425 25.140 1.00 32.53 N ATOM 1489 NH2 ARG A 93 -9.055 3.071 23.703 1.00 3.34 N ATOM 0 H ARG A 93 -1.390 1.606 23.694 1.00 62.11 H new ATOM 0 HA ARG A 93 -3.633 0.920 25.384 1.00 53.20 H new ATOM 0 HB2 ARG A 93 -2.793 0.502 22.524 1.00 72.13 H new ATOM 0 HB3 ARG A 93 -4.027 -0.549 23.192 1.00 72.13 H new ATOM 0 HG2 ARG A 93 -4.209 2.480 23.300 1.00 41.23 H new ATOM 0 HG3 ARG A 93 -4.852 1.533 21.974 1.00 41.23 H new ATOM 0 HD2 ARG A 93 -6.203 0.215 23.680 1.00 63.21 H new ATOM 0 HD3 ARG A 93 -5.666 1.352 24.900 1.00 63.21 H new ATOM 0 HE ARG A 93 -6.812 2.776 22.669 1.00 2.50 H new ATOM 0 HH11 ARG A 93 -7.640 0.766 25.450 1.00 32.53 H new ATOM 0 HH12 ARG A 93 -9.249 1.475 25.629 1.00 32.53 H new ATOM 0 HH21 ARG A 93 -8.879 3.681 22.905 1.00 3.34 H new ATOM 0 HH22 ARG A 93 -9.948 3.118 24.194 1.00 3.34 H new ATOM 1503 N ILE A 94 -1.470 -1.406 24.439 1.00 31.02 N ATOM 1504 CA ILE A 94 -0.948 -2.723 24.781 1.00 62.33 C ATOM 1505 C ILE A 94 -0.417 -2.750 26.210 1.00 65.42 C ATOM 1506 O ILE A 94 -0.410 -3.794 26.860 1.00 23.44 O ATOM 1507 CB ILE A 94 0.177 -3.150 23.819 1.00 53.23 C ATOM 1508 CG1 ILE A 94 1.405 -2.258 24.008 1.00 4.13 C ATOM 1509 CG2 ILE A 94 -0.309 -3.093 22.378 1.00 43.30 C ATOM 1510 CD1 ILE A 94 2.558 -2.615 23.096 1.00 30.12 C ATOM 0 H ILE A 94 -1.017 -0.967 23.637 1.00 31.02 H new ATOM 0 HA ILE A 94 -1.778 -3.424 24.691 1.00 62.33 H new ATOM 0 HB ILE A 94 0.459 -4.178 24.047 1.00 53.23 H new ATOM 0 HG12 ILE A 94 1.121 -1.221 23.832 1.00 4.13 H new ATOM 0 HG13 ILE A 94 1.737 -2.326 25.044 1.00 4.13 H new ATOM 0 HG21 ILE A 94 0.497 -3.397 21.710 1.00 43.30 H new ATOM 0 HG22 ILE A 94 -1.157 -3.766 22.253 1.00 43.30 H new ATOM 0 HG23 ILE A 94 -0.615 -2.075 22.137 1.00 43.30 H new ATOM 0 HD11 ILE A 94 3.394 -1.941 23.285 1.00 30.12 H new ATOM 0 HD12 ILE A 94 2.869 -3.642 23.288 1.00 30.12 H new ATOM 0 HD13 ILE A 94 2.243 -2.519 22.057 1.00 30.12 H new ATOM 1522 N ASN A 95 0.027 -1.594 26.693 1.00 74.14 N ATOM 1523 CA ASN A 95 0.559 -1.485 28.046 1.00 51.40 C ATOM 1524 C ASN A 95 -0.559 -1.580 29.080 1.00 72.34 C ATOM 1525 O ASN A 95 -0.351 -2.071 30.189 1.00 51.01 O ATOM 1526 CB ASN A 95 1.313 -0.164 28.215 1.00 52.05 C ATOM 1527 CG ASN A 95 1.893 -0.003 29.606 1.00 12.15 C ATOM 1528 OD1 ASN A 95 3.081 -0.238 29.827 1.00 71.10 O ATOM 1529 ND2 ASN A 95 1.054 0.400 30.554 1.00 72.32 N ATOM 0 H ASN A 95 0.029 -0.720 26.167 1.00 74.14 H new ATOM 0 HA ASN A 95 1.249 -2.313 28.206 1.00 51.40 H new ATOM 0 HB2 ASN A 95 2.117 -0.111 27.481 1.00 52.05 H new ATOM 0 HB3 ASN A 95 0.637 0.666 28.008 1.00 52.05 H new ATOM 0 HD21 ASN A 95 1.387 0.526 31.510 1.00 72.32 H new ATOM 0 HD22 ASN A 95 0.077 0.583 30.326 1.00 72.32 H new ATOM 1536 N GLN A 96 -1.745 -1.109 28.707 1.00 45.34 N ATOM 1537 CA GLN A 96 -2.895 -1.141 29.602 1.00 72.35 C ATOM 1538 C GLN A 96 -3.541 -2.523 29.608 1.00 24.13 C ATOM 1539 O GLN A 96 -4.210 -2.900 30.569 1.00 20.53 O ATOM 1540 CB GLN A 96 -3.922 -0.088 29.184 1.00 15.53 C ATOM 1541 CG GLN A 96 -3.473 1.340 29.451 1.00 22.24 C ATOM 1542 CD GLN A 96 -4.436 2.369 28.893 1.00 3.25 C ATOM 1543 OE1 GLN A 96 -5.650 2.164 28.892 1.00 1.05 O ATOM 1544 NE2 GLN A 96 -3.898 3.485 28.415 1.00 10.11 N ATOM 0 H GLN A 96 -1.934 -0.701 27.791 1.00 45.34 H new ATOM 0 HA GLN A 96 -2.546 -0.918 30.610 1.00 72.35 H new ATOM 0 HB2 GLN A 96 -4.133 -0.201 28.121 1.00 15.53 H new ATOM 0 HB3 GLN A 96 -4.856 -0.272 29.716 1.00 15.53 H new ATOM 0 HG2 GLN A 96 -3.370 1.489 30.526 1.00 22.24 H new ATOM 0 HG3 GLN A 96 -2.487 1.495 29.012 1.00 22.24 H new ATOM 0 HE21 GLN A 96 -2.886 3.613 28.436 1.00 10.11 H new ATOM 0 HE22 GLN A 96 -4.496 4.214 28.027 1.00 10.11 H new ATOM 1553 N GLU A 97 -3.335 -3.272 28.530 1.00 63.43 N ATOM 1554 CA GLU A 97 -3.898 -4.612 28.412 1.00 33.11 C ATOM 1555 C GLU A 97 -2.893 -5.667 28.864 1.00 24.02 C ATOM 1556 O GLU A 97 -3.270 -6.764 29.276 1.00 21.21 O ATOM 1557 CB GLU A 97 -4.326 -4.885 26.968 1.00 2.25 C ATOM 1558 CG GLU A 97 -5.562 -4.110 26.543 1.00 21.21 C ATOM 1559 CD GLU A 97 -6.850 -4.811 26.928 1.00 55.12 C ATOM 1560 OE1 GLU A 97 -7.141 -5.879 26.350 1.00 30.01 O ATOM 1561 OE2 GLU A 97 -7.568 -4.290 27.807 1.00 33.34 O ATOM 0 H GLU A 97 -2.783 -2.974 27.726 1.00 63.43 H new ATOM 0 HA GLU A 97 -4.773 -4.668 29.059 1.00 33.11 H new ATOM 0 HB2 GLU A 97 -3.502 -4.634 26.300 1.00 2.25 H new ATOM 0 HB3 GLU A 97 -4.518 -5.952 26.850 1.00 2.25 H new ATOM 0 HG2 GLU A 97 -5.541 -3.120 26.999 1.00 21.21 H new ATOM 0 HG3 GLU A 97 -5.541 -3.963 25.463 1.00 21.21 H new ATOM 1568 N PHE A 98 -1.611 -5.327 28.783 1.00 4.35 N ATOM 1569 CA PHE A 98 -0.550 -6.244 29.182 1.00 25.14 C ATOM 1570 C PHE A 98 -0.511 -6.405 30.699 1.00 15.13 C ATOM 1571 O PHE A 98 -0.783 -5.472 31.455 1.00 42.51 O ATOM 1572 CB PHE A 98 0.805 -5.742 28.677 1.00 14.23 C ATOM 1573 CG PHE A 98 1.169 -6.266 27.318 1.00 42.33 C ATOM 1574 CD1 PHE A 98 0.184 -6.587 26.398 1.00 44.25 C ATOM 1575 CD2 PHE A 98 2.497 -6.437 26.960 1.00 32.51 C ATOM 1576 CE1 PHE A 98 0.516 -7.069 25.145 1.00 5.23 C ATOM 1577 CE2 PHE A 98 2.835 -6.919 25.709 1.00 12.44 C ATOM 1578 CZ PHE A 98 1.844 -7.236 24.801 1.00 15.23 C ATOM 0 H PHE A 98 -1.282 -4.423 28.445 1.00 4.35 H new ATOM 0 HA PHE A 98 -0.759 -7.216 28.736 1.00 25.14 H new ATOM 0 HB2 PHE A 98 0.791 -4.653 28.646 1.00 14.23 H new ATOM 0 HB3 PHE A 98 1.579 -6.031 29.388 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -0.855 -6.459 26.662 1.00 44.25 H new ATOM 0 HD2 PHE A 98 3.276 -6.191 27.666 1.00 32.51 H new ATOM 0 HE1 PHE A 98 -0.261 -7.314 24.436 1.00 5.23 H new ATOM 0 HE2 PHE A 98 3.874 -7.048 25.442 1.00 12.44 H new ATOM 0 HZ PHE A 98 2.106 -7.614 23.824 1.00 15.23 H new ATOM 1588 N PRO A 99 -0.167 -7.618 31.157 1.00 51.13 N ATOM 1589 CA PRO A 99 -0.085 -7.931 32.586 1.00 12.15 C ATOM 1590 C PRO A 99 1.088 -7.234 33.266 1.00 2.52 C ATOM 1591 O PRO A 99 1.976 -6.701 32.600 1.00 2.13 O ATOM 1592 CB PRO A 99 0.110 -9.449 32.607 1.00 44.14 C ATOM 1593 CG PRO A 99 0.736 -9.768 31.293 1.00 54.24 C ATOM 1594 CD PRO A 99 0.169 -8.777 30.313 1.00 23.23 C ATOM 0 HA PRO A 99 -0.969 -7.594 33.128 1.00 12.15 H new ATOM 0 HB2 PRO A 99 0.750 -9.755 33.435 1.00 44.14 H new ATOM 0 HB3 PRO A 99 -0.840 -9.969 32.730 1.00 44.14 H new ATOM 0 HG2 PRO A 99 1.822 -9.686 31.348 1.00 54.24 H new ATOM 0 HG3 PRO A 99 0.509 -10.790 30.990 1.00 54.24 H new ATOM 0 HD2 PRO A 99 0.893 -8.516 29.541 1.00 23.23 H new ATOM 0 HD3 PRO A 99 -0.710 -9.172 29.805 1.00 23.23 H new ATOM 1602 N ARG A 100 1.086 -7.241 34.595 1.00 32.02 N ATOM 1603 CA ARG A 100 2.150 -6.608 35.365 1.00 62.33 C ATOM 1604 C ARG A 100 3.506 -7.216 35.018 1.00 5.41 C ATOM 1605 O ARG A 100 4.546 -6.582 35.200 1.00 23.13 O ATOM 1606 CB ARG A 100 1.882 -6.755 36.864 1.00 73.35 C ATOM 1607 CG ARG A 100 0.585 -6.104 37.317 1.00 60.53 C ATOM 1608 CD ARG A 100 0.184 -6.571 38.707 1.00 11.03 C ATOM 1609 NE ARG A 100 -1.242 -6.380 38.958 1.00 32.54 N ATOM 1610 CZ ARG A 100 -1.777 -6.354 40.174 1.00 73.31 C ATOM 1611 NH1 ARG A 100 -1.009 -6.505 41.244 1.00 63.34 N ATOM 1612 NH2 ARG A 100 -3.084 -6.176 40.321 1.00 20.31 N ATOM 0 H ARG A 100 0.359 -7.678 35.161 1.00 32.02 H new ATOM 0 HA ARG A 100 2.169 -5.549 35.109 1.00 62.33 H new ATOM 0 HB2 ARG A 100 1.855 -7.815 37.118 1.00 73.35 H new ATOM 0 HB3 ARG A 100 2.712 -6.316 37.418 1.00 73.35 H new ATOM 0 HG2 ARG A 100 0.701 -5.020 37.315 1.00 60.53 H new ATOM 0 HG3 ARG A 100 -0.209 -6.341 36.609 1.00 60.53 H new ATOM 0 HD2 ARG A 100 0.434 -7.626 38.821 1.00 11.03 H new ATOM 0 HD3 ARG A 100 0.760 -6.024 39.453 1.00 11.03 H new ATOM 0 HE ARG A 100 -1.861 -6.260 38.156 1.00 32.54 H new ATOM 0 HH11 ARG A 100 -0.004 -6.642 41.135 1.00 63.34 H new ATOM 0 HH12 ARG A 100 -1.423 -6.484 42.176 1.00 63.34 H new ATOM 0 HH21 ARG A 100 -3.678 -6.059 39.500 1.00 20.31 H new ATOM 0 HH22 ARG A 100 -3.494 -6.156 41.255 1.00 20.31 H new ATOM 1626 N ASP A 101 3.487 -8.446 34.518 1.00 23.35 N ATOM 1627 CA ASP A 101 4.715 -9.139 34.146 1.00 61.42 C ATOM 1628 C ASP A 101 5.270 -8.594 32.834 1.00 60.14 C ATOM 1629 O ASP A 101 6.455 -8.275 32.734 1.00 44.44 O ATOM 1630 CB ASP A 101 4.460 -10.642 34.021 1.00 73.24 C ATOM 1631 CG ASP A 101 4.629 -11.370 35.340 1.00 75.13 C ATOM 1632 OD1 ASP A 101 4.285 -10.785 36.389 1.00 72.44 O ATOM 1633 OD2 ASP A 101 5.104 -12.525 35.323 1.00 14.43 O ATOM 0 H ASP A 101 2.635 -8.984 34.361 1.00 23.35 H new ATOM 0 HA ASP A 101 5.452 -8.968 34.931 1.00 61.42 H new ATOM 0 HB2 ASP A 101 3.450 -10.806 33.646 1.00 73.24 H new ATOM 0 HB3 ASP A 101 5.146 -11.064 33.286 1.00 73.24 H new ATOM 1638 N LEU A 102 4.407 -8.491 31.829 1.00 35.34 N ATOM 1639 CA LEU A 102 4.810 -7.985 30.522 1.00 62.50 C ATOM 1640 C LEU A 102 5.062 -6.482 30.574 1.00 51.02 C ATOM 1641 O LEU A 102 5.939 -5.964 29.883 1.00 64.04 O ATOM 1642 CB LEU A 102 3.736 -8.299 29.478 1.00 5.44 C ATOM 1643 CG LEU A 102 3.521 -9.779 29.160 1.00 2.33 C ATOM 1644 CD1 LEU A 102 2.457 -9.945 28.086 1.00 3.52 C ATOM 1645 CD2 LEU A 102 4.827 -10.426 28.724 1.00 5.01 C ATOM 0 H LEU A 102 3.423 -8.751 31.895 1.00 35.34 H new ATOM 0 HA LEU A 102 5.739 -8.480 30.239 1.00 62.50 H new ATOM 0 HB2 LEU A 102 2.790 -7.881 29.822 1.00 5.44 H new ATOM 0 HB3 LEU A 102 3.995 -7.783 28.553 1.00 5.44 H new ATOM 0 HG LEU A 102 3.176 -10.279 30.065 1.00 2.33 H new ATOM 0 HD11 LEU A 102 2.318 -11.005 27.873 1.00 3.52 H new ATOM 0 HD12 LEU A 102 1.517 -9.519 28.436 1.00 3.52 H new ATOM 0 HD13 LEU A 102 2.773 -9.431 27.178 1.00 3.52 H new ATOM 0 HD21 LEU A 102 4.655 -11.479 28.502 1.00 5.01 H new ATOM 0 HD22 LEU A 102 5.202 -9.924 27.832 1.00 5.01 H new ATOM 0 HD23 LEU A 102 5.561 -10.339 29.525 1.00 5.01 H new ATOM 1657 N LYS A 103 4.288 -5.786 31.399 1.00 12.23 N ATOM 1658 CA LYS A 103 4.428 -4.342 31.545 1.00 10.14 C ATOM 1659 C LYS A 103 5.875 -3.963 31.843 1.00 63.11 C ATOM 1660 O LYS A 103 6.387 -2.970 31.326 1.00 51.31 O ATOM 1661 CB LYS A 103 3.516 -3.831 32.663 1.00 52.42 C ATOM 1662 CG LYS A 103 2.077 -3.619 32.225 1.00 70.24 C ATOM 1663 CD LYS A 103 1.498 -2.341 32.808 1.00 23.34 C ATOM 1664 CE LYS A 103 0.025 -2.502 33.150 1.00 11.12 C ATOM 1665 NZ LYS A 103 -0.174 -3.331 34.371 1.00 71.42 N ATOM 0 H LYS A 103 3.556 -6.199 31.977 1.00 12.23 H new ATOM 0 HA LYS A 103 4.135 -3.877 30.604 1.00 10.14 H new ATOM 0 HB2 LYS A 103 3.535 -4.542 33.489 1.00 52.42 H new ATOM 0 HB3 LYS A 103 3.914 -2.890 33.043 1.00 52.42 H new ATOM 0 HG2 LYS A 103 2.030 -3.577 31.137 1.00 70.24 H new ATOM 0 HG3 LYS A 103 1.472 -4.470 32.538 1.00 70.24 H new ATOM 0 HD2 LYS A 103 2.053 -2.065 33.705 1.00 23.34 H new ATOM 0 HD3 LYS A 103 1.620 -1.526 32.094 1.00 23.34 H new ATOM 0 HE2 LYS A 103 -0.422 -1.519 33.301 1.00 11.12 H new ATOM 0 HE3 LYS A 103 -0.495 -2.963 32.310 1.00 11.12 H new ATOM 0 HZ1 LYS A 103 -1.161 -3.251 34.688 1.00 71.42 H new ATOM 0 HZ2 LYS A 103 0.041 -4.325 34.154 1.00 71.42 H new ATOM 0 HZ3 LYS A 103 0.459 -2.996 35.125 1.00 71.42 H new ATOM 1679 N LYS A 104 6.531 -4.761 32.678 1.00 23.42 N ATOM 1680 CA LYS A 104 7.921 -4.512 33.043 1.00 72.31 C ATOM 1681 C LYS A 104 8.835 -4.647 31.829 1.00 75.30 C ATOM 1682 O LYS A 104 9.823 -3.925 31.699 1.00 1.14 O ATOM 1683 CB LYS A 104 8.364 -5.484 34.139 1.00 62.23 C ATOM 1684 CG LYS A 104 9.430 -4.917 35.060 1.00 65.12 C ATOM 1685 CD LYS A 104 8.820 -4.075 36.168 1.00 70.33 C ATOM 1686 CE LYS A 104 9.850 -3.720 37.229 1.00 14.24 C ATOM 1687 NZ LYS A 104 10.845 -2.733 36.728 1.00 43.32 N ATOM 0 H LYS A 104 6.122 -5.587 33.115 1.00 23.42 H new ATOM 0 HA LYS A 104 7.995 -3.492 33.419 1.00 72.31 H new ATOM 0 HB2 LYS A 104 7.496 -5.768 34.734 1.00 62.23 H new ATOM 0 HB3 LYS A 104 8.744 -6.394 33.674 1.00 62.23 H new ATOM 0 HG2 LYS A 104 10.006 -5.733 35.497 1.00 65.12 H new ATOM 0 HG3 LYS A 104 10.126 -4.310 34.482 1.00 65.12 H new ATOM 0 HD2 LYS A 104 8.403 -3.161 35.744 1.00 70.33 H new ATOM 0 HD3 LYS A 104 7.995 -4.619 36.628 1.00 70.33 H new ATOM 0 HE2 LYS A 104 9.344 -3.313 38.104 1.00 14.24 H new ATOM 0 HE3 LYS A 104 10.366 -4.624 37.551 1.00 14.24 H new ATOM 0 HZ1 LYS A 104 11.529 -2.517 37.481 1.00 43.32 H new ATOM 0 HZ2 LYS A 104 11.346 -3.131 35.908 1.00 43.32 H new ATOM 0 HZ3 LYS A 104 10.356 -1.860 36.445 1.00 43.32 H new ATOM 1701 N LYS A 105 8.497 -5.576 30.941 1.00 41.15 N ATOM 1702 CA LYS A 105 9.285 -5.804 29.735 1.00 31.20 C ATOM 1703 C LYS A 105 9.088 -4.671 28.734 1.00 42.53 C ATOM 1704 O LYS A 105 10.014 -4.301 28.010 1.00 55.53 O ATOM 1705 CB LYS A 105 8.898 -7.139 29.093 1.00 11.43 C ATOM 1706 CG LYS A 105 9.023 -8.325 30.034 1.00 52.32 C ATOM 1707 CD LYS A 105 10.472 -8.742 30.215 1.00 25.23 C ATOM 1708 CE LYS A 105 11.048 -9.330 28.936 1.00 75.41 C ATOM 1709 NZ LYS A 105 12.254 -10.161 29.201 1.00 24.51 N ATOM 0 H LYS A 105 7.683 -6.183 31.034 1.00 41.15 H new ATOM 0 HA LYS A 105 10.337 -5.835 30.019 1.00 31.20 H new ATOM 0 HB2 LYS A 105 7.870 -7.076 28.735 1.00 11.43 H new ATOM 0 HB3 LYS A 105 9.529 -7.310 28.221 1.00 11.43 H new ATOM 0 HG2 LYS A 105 8.593 -8.069 31.003 1.00 52.32 H new ATOM 0 HG3 LYS A 105 8.448 -9.164 29.642 1.00 52.32 H new ATOM 0 HD2 LYS A 105 11.065 -7.879 30.519 1.00 25.23 H new ATOM 0 HD3 LYS A 105 10.543 -9.476 31.018 1.00 25.23 H new ATOM 0 HE2 LYS A 105 10.290 -9.938 28.442 1.00 75.41 H new ATOM 0 HE3 LYS A 105 11.307 -8.523 28.250 1.00 75.41 H new ATOM 0 HZ1 LYS A 105 12.616 -10.543 28.304 1.00 24.51 H new ATOM 0 HZ2 LYS A 105 12.987 -9.575 29.649 1.00 24.51 H new ATOM 0 HZ3 LYS A 105 12.002 -10.946 29.835 1.00 24.51 H new ATOM 1723 N LEU A 106 7.879 -4.122 28.698 1.00 11.12 N ATOM 1724 CA LEU A 106 7.561 -3.028 27.786 1.00 23.43 C ATOM 1725 C LEU A 106 8.071 -1.698 28.333 1.00 75.43 C ATOM 1726 O LEU A 106 8.491 -0.825 27.575 1.00 44.25 O ATOM 1727 CB LEU A 106 6.051 -2.953 27.555 1.00 21.23 C ATOM 1728 CG LEU A 106 5.557 -1.768 26.726 1.00 42.55 C ATOM 1729 CD1 LEU A 106 4.315 -2.149 25.935 1.00 23.53 C ATOM 1730 CD2 LEU A 106 5.274 -0.571 27.621 1.00 3.55 C ATOM 0 H LEU A 106 7.102 -4.416 29.290 1.00 11.12 H new ATOM 0 HA LEU A 106 8.058 -3.223 26.836 1.00 23.43 H new ATOM 0 HB2 LEU A 106 5.733 -3.872 27.063 1.00 21.23 H new ATOM 0 HB3 LEU A 106 5.556 -2.923 28.526 1.00 21.23 H new ATOM 0 HG LEU A 106 6.341 -1.492 26.021 1.00 42.55 H new ATOM 0 HD11 LEU A 106 3.978 -1.292 25.351 1.00 23.53 H new ATOM 0 HD12 LEU A 106 4.550 -2.975 25.264 1.00 23.53 H new ATOM 0 HD13 LEU A 106 3.525 -2.453 26.622 1.00 23.53 H new ATOM 0 HD21 LEU A 106 4.923 0.263 27.013 1.00 3.55 H new ATOM 0 HD22 LEU A 106 4.509 -0.835 28.351 1.00 3.55 H new ATOM 0 HD23 LEU A 106 6.187 -0.282 28.141 1.00 3.55 H new ATOM 1742 N SER A 107 8.031 -1.553 29.653 1.00 11.13 N ATOM 1743 CA SER A 107 8.487 -0.329 30.302 1.00 52.25 C ATOM 1744 C SER A 107 9.962 -0.076 30.008 1.00 43.45 C ATOM 1745 O SER A 107 10.389 1.069 29.855 1.00 14.33 O ATOM 1746 CB SER A 107 8.263 -0.413 31.813 1.00 64.24 C ATOM 1747 OG SER A 107 8.506 0.837 32.435 1.00 75.15 O ATOM 0 H SER A 107 7.688 -2.268 30.295 1.00 11.13 H new ATOM 0 HA SER A 107 7.907 0.503 29.902 1.00 52.25 H new ATOM 0 HB2 SER A 107 7.240 -0.730 32.015 1.00 64.24 H new ATOM 0 HB3 SER A 107 8.922 -1.169 32.240 1.00 64.24 H new ATOM 0 HG SER A 107 8.355 0.757 33.400 1.00 75.15 H new ATOM 1753 N ARG A 108 10.737 -1.153 29.929 1.00 11.32 N ATOM 1754 CA ARG A 108 12.165 -1.048 29.655 1.00 70.52 C ATOM 1755 C ARG A 108 12.417 -0.802 28.170 1.00 32.12 C ATOM 1756 O ARG A 108 13.431 -0.217 27.790 1.00 2.04 O ATOM 1757 CB ARG A 108 12.886 -2.322 30.101 1.00 51.12 C ATOM 1758 CG ARG A 108 12.463 -3.563 29.331 1.00 11.44 C ATOM 1759 CD ARG A 108 13.473 -4.688 29.491 1.00 35.42 C ATOM 1760 NE ARG A 108 14.686 -4.450 28.714 1.00 11.33 N ATOM 1761 CZ ARG A 108 14.753 -4.590 27.395 1.00 3.30 C ATOM 1762 NH1 ARG A 108 13.682 -4.965 26.709 1.00 3.43 N ATOM 1763 NH2 ARG A 108 15.894 -4.354 26.759 1.00 32.00 N ATOM 0 H ARG A 108 10.400 -2.108 30.051 1.00 11.32 H new ATOM 0 HA ARG A 108 12.556 -0.201 30.218 1.00 70.52 H new ATOM 0 HB2 ARG A 108 13.961 -2.181 29.984 1.00 51.12 H new ATOM 0 HB3 ARG A 108 12.699 -2.482 31.163 1.00 51.12 H new ATOM 0 HG2 ARG A 108 11.487 -3.896 29.683 1.00 11.44 H new ATOM 0 HG3 ARG A 108 12.354 -3.318 28.275 1.00 11.44 H new ATOM 0 HD2 ARG A 108 13.733 -4.795 30.544 1.00 35.42 H new ATOM 0 HD3 ARG A 108 13.020 -5.629 29.177 1.00 35.42 H new ATOM 0 HE ARG A 108 15.528 -4.160 29.211 1.00 11.33 H new ATOM 0 HH11 ARG A 108 12.803 -5.147 27.194 1.00 3.43 H new ATOM 0 HH12 ARG A 108 13.737 -5.072 25.696 1.00 3.43 H new ATOM 0 HH21 ARG A 108 16.720 -4.065 27.283 1.00 32.00 H new ATOM 0 HH22 ARG A 108 15.945 -4.462 25.746 1.00 32.00 H new ATOM 1777 N VAL A 109 11.487 -1.253 27.335 1.00 75.15 N ATOM 1778 CA VAL A 109 11.607 -1.081 25.892 1.00 71.43 C ATOM 1779 C VAL A 109 11.343 0.364 25.486 1.00 11.44 C ATOM 1780 O VAL A 109 12.054 0.927 24.653 1.00 32.24 O ATOM 1781 CB VAL A 109 10.632 -2.002 25.134 1.00 51.34 C ATOM 1782 CG1 VAL A 109 10.678 -1.715 23.641 1.00 50.34 C ATOM 1783 CG2 VAL A 109 10.951 -3.462 25.414 1.00 24.33 C ATOM 0 H VAL A 109 10.642 -1.740 27.633 1.00 75.15 H new ATOM 0 HA VAL A 109 12.630 -1.348 25.626 1.00 71.43 H new ATOM 0 HB VAL A 109 9.621 -1.801 25.488 1.00 51.34 H new ATOM 0 HG11 VAL A 109 9.983 -2.375 23.122 1.00 50.34 H new ATOM 0 HG12 VAL A 109 10.396 -0.678 23.461 1.00 50.34 H new ATOM 0 HG13 VAL A 109 11.688 -1.886 23.268 1.00 50.34 H new ATOM 0 HG21 VAL A 109 10.252 -4.098 24.870 1.00 24.33 H new ATOM 0 HG22 VAL A 109 11.968 -3.681 25.090 1.00 24.33 H new ATOM 0 HG23 VAL A 109 10.861 -3.655 26.483 1.00 24.33 H new ATOM 1793 N VAL A 110 10.316 0.962 26.082 1.00 75.02 N ATOM 1794 CA VAL A 110 9.958 2.344 25.784 1.00 33.34 C ATOM 1795 C VAL A 110 11.047 3.305 26.246 1.00 42.11 C ATOM 1796 O VAL A 110 11.298 4.327 25.609 1.00 54.21 O ATOM 1797 CB VAL A 110 8.626 2.735 26.453 1.00 43.03 C ATOM 1798 CG1 VAL A 110 8.696 2.507 27.955 1.00 54.30 C ATOM 1799 CG2 VAL A 110 8.279 4.183 26.140 1.00 20.30 C ATOM 0 H VAL A 110 9.717 0.511 26.774 1.00 75.02 H new ATOM 0 HA VAL A 110 9.848 2.417 24.702 1.00 33.34 H new ATOM 0 HB VAL A 110 7.836 2.101 26.050 1.00 43.03 H new ATOM 0 HG11 VAL A 110 7.747 2.789 28.410 1.00 54.30 H new ATOM 0 HG12 VAL A 110 8.896 1.454 28.154 1.00 54.30 H new ATOM 0 HG13 VAL A 110 9.496 3.115 28.378 1.00 54.30 H new ATOM 0 HG21 VAL A 110 7.336 4.443 26.620 1.00 20.30 H new ATOM 0 HG22 VAL A 110 9.068 4.835 26.514 1.00 20.30 H new ATOM 0 HG23 VAL A 110 8.184 4.310 25.062 1.00 20.30 H new ATOM 1809 N ASN A 111 11.693 2.969 27.358 1.00 13.21 N ATOM 1810 CA ASN A 111 12.757 3.803 27.906 1.00 55.12 C ATOM 1811 C ASN A 111 13.953 3.850 26.960 1.00 74.12 C ATOM 1812 O ASN A 111 14.820 4.715 27.083 1.00 64.12 O ATOM 1813 CB ASN A 111 13.194 3.275 29.273 1.00 21.14 C ATOM 1814 CG ASN A 111 12.151 3.516 30.347 1.00 12.32 C ATOM 1815 OD1 ASN A 111 11.334 4.431 30.240 1.00 11.12 O ATOM 1816 ND2 ASN A 111 12.174 2.694 31.390 1.00 1.51 N ATOM 0 H ASN A 111 11.498 2.125 27.897 1.00 13.21 H new ATOM 0 HA ASN A 111 12.368 4.815 28.022 1.00 55.12 H new ATOM 0 HB2 ASN A 111 13.395 2.206 29.199 1.00 21.14 H new ATOM 0 HB3 ASN A 111 14.128 3.756 29.563 1.00 21.14 H new ATOM 0 HD21 ASN A 111 11.496 2.808 32.144 1.00 1.51 H new ATOM 0 HD22 ASN A 111 12.869 1.949 31.437 1.00 1.51 H new ATOM 1823 N ILE A 112 13.991 2.915 26.017 1.00 71.24 N ATOM 1824 CA ILE A 112 15.079 2.851 25.049 1.00 21.40 C ATOM 1825 C ILE A 112 14.856 3.834 23.905 1.00 4.12 C ATOM 1826 O ILE A 112 15.810 4.366 23.335 1.00 54.14 O ATOM 1827 CB ILE A 112 15.234 1.432 24.469 1.00 53.31 C ATOM 1828 CG1 ILE A 112 15.564 0.436 25.582 1.00 61.31 C ATOM 1829 CG2 ILE A 112 16.312 1.414 23.396 1.00 24.52 C ATOM 1830 CD1 ILE A 112 15.164 -0.987 25.258 1.00 41.43 C ATOM 0 H ILE A 112 13.281 2.191 25.903 1.00 71.24 H new ATOM 0 HA ILE A 112 15.991 3.119 25.582 1.00 21.40 H new ATOM 0 HB ILE A 112 14.290 1.136 24.012 1.00 53.31 H new ATOM 0 HG12 ILE A 112 16.635 0.467 25.781 1.00 61.31 H new ATOM 0 HG13 ILE A 112 15.061 0.747 26.498 1.00 61.31 H new ATOM 0 HG21 ILE A 112 16.410 0.405 22.996 1.00 24.52 H new ATOM 0 HG22 ILE A 112 16.037 2.098 22.593 1.00 24.52 H new ATOM 0 HG23 ILE A 112 17.262 1.726 23.830 1.00 24.52 H new ATOM 0 HD11 ILE A 112 15.428 -1.638 26.091 1.00 41.43 H new ATOM 0 HD12 ILE A 112 14.088 -1.033 25.088 1.00 41.43 H new ATOM 0 HD13 ILE A 112 15.687 -1.317 24.360 1.00 41.43 H new ATOM 1842 N LEU A 113 13.592 4.073 23.576 1.00 51.04 N ATOM 1843 CA LEU A 113 13.242 4.995 22.500 1.00 25.04 C ATOM 1844 C LEU A 113 13.837 6.377 22.753 1.00 64.41 C ATOM 1845 O LEU A 113 14.231 7.075 21.819 1.00 45.31 O ATOM 1846 CB LEU A 113 11.722 5.099 22.365 1.00 64.22 C ATOM 1847 CG LEU A 113 11.006 3.845 21.862 1.00 62.04 C ATOM 1848 CD1 LEU A 113 9.503 3.975 22.055 1.00 24.34 C ATOM 1849 CD2 LEU A 113 11.337 3.593 20.398 1.00 63.11 C ATOM 0 H LEU A 113 12.792 3.642 24.038 1.00 51.04 H new ATOM 0 HA LEU A 113 13.657 4.605 21.571 1.00 25.04 H new ATOM 0 HB2 LEU A 113 11.308 5.364 23.338 1.00 64.22 H new ATOM 0 HB3 LEU A 113 11.493 5.921 21.687 1.00 64.22 H new ATOM 0 HG LEU A 113 11.354 2.993 22.445 1.00 62.04 H new ATOM 0 HD11 LEU A 113 9.010 3.073 21.691 1.00 24.34 H new ATOM 0 HD12 LEU A 113 9.282 4.107 23.114 1.00 24.34 H new ATOM 0 HD13 LEU A 113 9.138 4.838 21.498 1.00 24.34 H new ATOM 0 HD21 LEU A 113 10.819 2.697 20.057 1.00 63.11 H new ATOM 0 HD22 LEU A 113 11.017 4.447 19.800 1.00 63.11 H new ATOM 0 HD23 LEU A 113 12.412 3.455 20.287 1.00 63.11 H new ATOM 1861 N LYS A 114 13.902 6.764 24.022 1.00 14.42 N ATOM 1862 CA LYS A 114 14.452 8.061 24.400 1.00 72.23 C ATOM 1863 C LYS A 114 15.970 8.073 24.248 1.00 34.22 C ATOM 1864 O LYS A 114 16.566 9.112 23.967 1.00 34.11 O ATOM 1865 CB LYS A 114 14.070 8.399 25.842 1.00 10.45 C ATOM 1866 CG LYS A 114 15.005 7.796 26.877 1.00 52.34 C ATOM 1867 CD LYS A 114 14.304 7.589 28.209 1.00 53.43 C ATOM 1868 CE LYS A 114 15.287 7.630 29.368 1.00 0.43 C ATOM 1869 NZ LYS A 114 16.335 6.580 29.244 1.00 3.11 N ATOM 0 H LYS A 114 13.580 6.198 24.807 1.00 14.42 H new ATOM 0 HA LYS A 114 14.032 8.814 23.734 1.00 72.23 H new ATOM 0 HB2 LYS A 114 14.059 9.482 25.962 1.00 10.45 H new ATOM 0 HB3 LYS A 114 13.056 8.047 26.032 1.00 10.45 H new ATOM 0 HG2 LYS A 114 15.385 6.842 26.513 1.00 52.34 H new ATOM 0 HG3 LYS A 114 15.866 8.450 27.016 1.00 52.34 H new ATOM 0 HD2 LYS A 114 13.546 8.360 28.346 1.00 53.43 H new ATOM 0 HD3 LYS A 114 13.786 6.630 28.204 1.00 53.43 H new ATOM 0 HE2 LYS A 114 15.759 8.611 29.409 1.00 0.43 H new ATOM 0 HE3 LYS A 114 14.748 7.496 30.306 1.00 0.43 H new ATOM 0 HZ1 LYS A 114 16.502 6.145 30.174 1.00 3.11 H new ATOM 0 HZ2 LYS A 114 16.019 5.851 28.573 1.00 3.11 H new ATOM 0 HZ3 LYS A 114 17.217 7.009 28.899 1.00 3.11 H new ATOM 1883 N GLU A 115 16.588 6.911 24.435 1.00 33.31 N ATOM 1884 CA GLU A 115 18.036 6.789 24.318 1.00 1.22 C ATOM 1885 C GLU A 115 18.482 6.970 22.870 1.00 21.40 C ATOM 1886 O GLU A 115 19.377 7.763 22.579 1.00 2.24 O ATOM 1887 CB GLU A 115 18.500 5.428 24.840 1.00 32.34 C ATOM 1888 CG GLU A 115 19.598 5.519 25.886 1.00 24.10 C ATOM 1889 CD GLU A 115 20.480 4.286 25.915 1.00 63.34 C ATOM 1890 OE1 GLU A 115 20.068 3.275 26.521 1.00 64.22 O ATOM 1891 OE2 GLU A 115 21.583 4.332 25.330 1.00 40.12 O ATOM 0 H GLU A 115 16.109 6.041 24.668 1.00 33.31 H new ATOM 0 HA GLU A 115 18.491 7.575 24.921 1.00 1.22 H new ATOM 0 HB2 GLU A 115 17.646 4.902 25.267 1.00 32.34 H new ATOM 0 HB3 GLU A 115 18.857 4.829 24.002 1.00 32.34 H new ATOM 0 HG2 GLU A 115 20.213 6.396 25.686 1.00 24.10 H new ATOM 0 HG3 GLU A 115 19.148 5.662 26.868 1.00 24.10 H new ATOM 1898 N ARG A 116 17.852 6.227 21.966 1.00 34.11 N ATOM 1899 CA ARG A 116 18.184 6.303 20.549 1.00 70.24 C ATOM 1900 C ARG A 116 17.554 7.536 19.908 1.00 50.02 C ATOM 1901 O ARG A 116 17.952 7.955 18.822 1.00 3.30 O ATOM 1902 CB ARG A 116 17.712 5.041 19.824 1.00 71.10 C ATOM 1903 CG ARG A 116 18.038 3.755 20.566 1.00 73.25 C ATOM 1904 CD ARG A 116 19.527 3.637 20.849 1.00 41.11 C ATOM 1905 NE ARG A 116 19.889 2.308 21.333 1.00 32.41 N ATOM 1906 CZ ARG A 116 20.007 1.245 20.544 1.00 1.35 C ATOM 1907 NH1 ARG A 116 19.794 1.356 19.241 1.00 52.54 N ATOM 1908 NH2 ARG A 116 20.340 0.069 21.060 1.00 72.32 N ATOM 0 H ARG A 116 17.109 5.565 22.190 1.00 34.11 H new ATOM 0 HA ARG A 116 19.267 6.382 20.460 1.00 70.24 H new ATOM 0 HB2 ARG A 116 16.634 5.100 19.673 1.00 71.10 H new ATOM 0 HB3 ARG A 116 18.171 5.007 18.836 1.00 71.10 H new ATOM 0 HG2 ARG A 116 17.485 3.725 21.505 1.00 73.25 H new ATOM 0 HG3 ARG A 116 17.710 2.900 19.975 1.00 73.25 H new ATOM 0 HD2 ARG A 116 20.087 3.857 19.940 1.00 41.11 H new ATOM 0 HD3 ARG A 116 19.815 4.383 21.589 1.00 41.11 H new ATOM 0 HE ARG A 116 20.061 2.189 22.331 1.00 32.41 H new ATOM 0 HH11 ARG A 116 19.539 2.259 18.841 1.00 52.54 H new ATOM 0 HH12 ARG A 116 19.885 0.539 18.638 1.00 52.54 H new ATOM 0 HH21 ARG A 116 20.506 -0.020 22.063 1.00 72.32 H new ATOM 0 HH22 ARG A 116 20.430 -0.747 20.454 1.00 72.32 H new ATOM 1922 N ASN A 117 16.568 8.112 20.588 1.00 30.31 N ATOM 1923 CA ASN A 117 15.882 9.296 20.085 1.00 50.22 C ATOM 1924 C ASN A 117 15.187 9.000 18.759 1.00 12.14 C ATOM 1925 O ASN A 117 15.246 9.799 17.824 1.00 64.52 O ATOM 1926 CB ASN A 117 16.873 10.448 19.908 1.00 40.35 C ATOM 1927 CG ASN A 117 17.826 10.576 21.080 1.00 43.41 C ATOM 1928 OD1 ASN A 117 18.907 9.987 21.083 1.00 44.45 O ATOM 1929 ND2 ASN A 117 17.429 11.349 22.084 1.00 15.00 N ATOM 0 H ASN A 117 16.226 7.778 21.489 1.00 30.31 H new ATOM 0 HA ASN A 117 15.126 9.585 20.815 1.00 50.22 H new ATOM 0 HB2 ASN A 117 17.445 10.294 18.993 1.00 40.35 H new ATOM 0 HB3 ASN A 117 16.323 11.381 19.787 1.00 40.35 H new ATOM 0 HD21 ASN A 117 18.028 11.473 22.900 1.00 15.00 H new ATOM 0 HD22 ASN A 117 16.525 11.818 22.039 1.00 15.00 H new ATOM 1936 N ILE A 118 14.528 7.848 18.687 1.00 10.55 N ATOM 1937 CA ILE A 118 13.820 7.448 17.478 1.00 42.12 C ATOM 1938 C ILE A 118 12.717 8.442 17.132 1.00 15.03 C ATOM 1939 O ILE A 118 12.635 8.928 16.004 1.00 11.10 O ATOM 1940 CB ILE A 118 13.204 6.044 17.625 1.00 52.43 C ATOM 1941 CG1 ILE A 118 14.268 5.040 18.071 1.00 5.33 C ATOM 1942 CG2 ILE A 118 12.570 5.604 16.314 1.00 51.45 C ATOM 1943 CD1 ILE A 118 15.388 4.861 17.070 1.00 72.12 C ATOM 0 H ILE A 118 14.470 7.176 19.452 1.00 10.55 H new ATOM 0 HA ILE A 118 14.555 7.431 16.673 1.00 42.12 H new ATOM 0 HB ILE A 118 12.426 6.083 18.388 1.00 52.43 H new ATOM 0 HG12 ILE A 118 14.690 5.368 19.021 1.00 5.33 H new ATOM 0 HG13 ILE A 118 13.793 4.075 18.249 1.00 5.33 H new ATOM 0 HG21 ILE A 118 12.139 4.610 16.434 1.00 51.45 H new ATOM 0 HG22 ILE A 118 11.786 6.308 16.035 1.00 51.45 H new ATOM 0 HG23 ILE A 118 13.330 5.578 15.533 1.00 51.45 H new ATOM 0 HD11 ILE A 118 16.105 4.135 17.453 1.00 72.12 H new ATOM 0 HD12 ILE A 118 14.978 4.503 16.126 1.00 72.12 H new ATOM 0 HD13 ILE A 118 15.889 5.816 16.909 1.00 72.12 H new ATOM 1955 N PHE A 119 11.870 8.741 18.112 1.00 54.54 N ATOM 1956 CA PHE A 119 10.770 9.679 17.912 1.00 65.21 C ATOM 1957 C PHE A 119 11.117 11.053 18.478 1.00 25.52 C ATOM 1958 O PHE A 119 12.058 11.194 19.259 1.00 2.33 O ATOM 1959 CB PHE A 119 9.495 9.150 18.571 1.00 1.04 C ATOM 1960 CG PHE A 119 9.246 7.692 18.312 1.00 25.42 C ATOM 1961 CD1 PHE A 119 9.421 7.160 17.045 1.00 50.13 C ATOM 1962 CD2 PHE A 119 8.838 6.852 19.336 1.00 13.31 C ATOM 1963 CE1 PHE A 119 9.193 5.818 16.803 1.00 44.32 C ATOM 1964 CE2 PHE A 119 8.609 5.510 19.100 1.00 21.23 C ATOM 1965 CZ PHE A 119 8.786 4.992 17.832 1.00 50.41 C ATOM 0 H PHE A 119 11.924 8.348 19.052 1.00 54.54 H new ATOM 0 HA PHE A 119 10.601 9.780 16.840 1.00 65.21 H new ATOM 0 HB2 PHE A 119 9.557 9.314 19.647 1.00 1.04 H new ATOM 0 HB3 PHE A 119 8.643 9.726 18.209 1.00 1.04 H new ATOM 0 HD1 PHE A 119 9.739 7.801 16.236 1.00 50.13 H new ATOM 0 HD2 PHE A 119 8.697 7.251 20.330 1.00 13.31 H new ATOM 0 HE1 PHE A 119 9.333 5.416 15.810 1.00 44.32 H new ATOM 0 HE2 PHE A 119 8.292 4.866 19.907 1.00 21.23 H new ATOM 0 HZ PHE A 119 8.607 3.943 17.646 1.00 50.41 H new ATOM 1975 N SER A 120 10.351 12.062 18.078 1.00 72.11 N ATOM 1976 CA SER A 120 10.579 13.426 18.541 1.00 30.53 C ATOM 1977 C SER A 120 10.111 13.595 19.983 1.00 32.35 C ATOM 1978 O SER A 120 9.403 12.744 20.523 1.00 52.00 O ATOM 1979 CB SER A 120 9.852 14.422 17.637 1.00 52.42 C ATOM 1980 OG SER A 120 10.394 15.724 17.773 1.00 43.40 O ATOM 0 H SER A 120 9.567 11.961 17.434 1.00 72.11 H new ATOM 0 HA SER A 120 11.650 13.624 18.499 1.00 30.53 H new ATOM 0 HB2 SER A 120 9.929 14.099 16.599 1.00 52.42 H new ATOM 0 HB3 SER A 120 8.791 14.438 17.888 1.00 52.42 H new ATOM 0 HG SER A 120 9.913 16.342 17.183 1.00 43.40 H new ATOM 1986 N LYS A 121 10.512 14.700 20.603 1.00 34.41 N ATOM 1987 CA LYS A 121 10.134 14.984 21.982 1.00 33.24 C ATOM 1988 C LYS A 121 8.620 14.919 22.156 1.00 33.52 C ATOM 1989 O LYS A 121 8.121 14.300 23.096 1.00 54.12 O ATOM 1990 CB LYS A 121 10.647 16.364 22.399 1.00 15.13 C ATOM 1991 CG LYS A 121 10.973 16.470 23.879 1.00 51.31 C ATOM 1992 CD LYS A 121 12.236 15.701 24.228 1.00 72.10 C ATOM 1993 CE LYS A 121 13.478 16.562 24.057 1.00 21.23 C ATOM 1994 NZ LYS A 121 13.559 17.630 25.092 1.00 24.30 N ATOM 0 H LYS A 121 11.099 15.414 20.172 1.00 34.41 H new ATOM 0 HA LYS A 121 10.588 14.226 22.620 1.00 33.24 H new ATOM 0 HB2 LYS A 121 11.540 16.600 21.821 1.00 15.13 H new ATOM 0 HB3 LYS A 121 9.897 17.113 22.146 1.00 15.13 H new ATOM 0 HG2 LYS A 121 11.097 17.518 24.151 1.00 51.31 H new ATOM 0 HG3 LYS A 121 10.138 16.085 24.465 1.00 51.31 H new ATOM 0 HD2 LYS A 121 12.176 15.348 25.258 1.00 72.10 H new ATOM 0 HD3 LYS A 121 12.313 14.819 23.593 1.00 72.10 H new ATOM 0 HE2 LYS A 121 14.367 15.933 24.114 1.00 21.23 H new ATOM 0 HE3 LYS A 121 13.472 17.016 23.066 1.00 21.23 H new ATOM 0 HZ1 LYS A 121 14.543 17.957 25.177 1.00 24.30 H new ATOM 0 HZ2 LYS A 121 12.952 18.428 24.816 1.00 24.30 H new ATOM 0 HZ3 LYS A 121 13.239 17.252 26.007 1.00 24.30 H new ATOM 2008 N GLN A 122 7.896 15.559 21.244 1.00 33.00 N ATOM 2009 CA GLN A 122 6.439 15.572 21.297 1.00 14.14 C ATOM 2010 C GLN A 122 5.880 14.153 21.268 1.00 0.22 C ATOM 2011 O GLN A 122 4.849 13.868 21.878 1.00 41.13 O ATOM 2012 CB GLN A 122 5.872 16.380 20.129 1.00 53.21 C ATOM 2013 CG GLN A 122 5.878 17.881 20.368 1.00 52.52 C ATOM 2014 CD GLN A 122 5.247 18.656 19.228 1.00 52.42 C ATOM 2015 OE1 GLN A 122 5.820 18.765 18.143 1.00 31.33 O ATOM 2016 NE2 GLN A 122 4.060 19.201 19.467 1.00 34.24 N ATOM 0 H GLN A 122 8.294 16.075 20.460 1.00 33.00 H new ATOM 0 HA GLN A 122 6.139 16.042 22.234 1.00 14.14 H new ATOM 0 HB2 GLN A 122 6.451 16.161 19.232 1.00 53.21 H new ATOM 0 HB3 GLN A 122 4.850 16.055 19.936 1.00 53.21 H new ATOM 0 HG2 GLN A 122 5.342 18.100 21.292 1.00 52.52 H new ATOM 0 HG3 GLN A 122 6.905 18.219 20.507 1.00 52.52 H new ATOM 0 HE21 GLN A 122 3.621 19.086 20.380 1.00 34.24 H new ATOM 0 HE22 GLN A 122 3.588 19.734 18.737 1.00 34.24 H new ATOM 2025 N VAL A 123 6.567 13.266 20.555 1.00 3.52 N ATOM 2026 CA VAL A 123 6.140 11.877 20.447 1.00 64.41 C ATOM 2027 C VAL A 123 6.480 11.097 21.713 1.00 54.34 C ATOM 2028 O VAL A 123 5.617 10.451 22.307 1.00 74.02 O ATOM 2029 CB VAL A 123 6.794 11.181 19.238 1.00 3.12 C ATOM 2030 CG1 VAL A 123 6.166 9.816 19.003 1.00 20.12 C ATOM 2031 CG2 VAL A 123 6.678 12.052 17.996 1.00 21.41 C ATOM 0 H VAL A 123 7.422 13.485 20.044 1.00 3.52 H new ATOM 0 HA VAL A 123 5.059 11.888 20.310 1.00 64.41 H new ATOM 0 HB VAL A 123 7.852 11.034 19.454 1.00 3.12 H new ATOM 0 HG11 VAL A 123 6.641 9.340 18.145 1.00 20.12 H new ATOM 0 HG12 VAL A 123 6.306 9.194 19.887 1.00 20.12 H new ATOM 0 HG13 VAL A 123 5.100 9.935 18.808 1.00 20.12 H new ATOM 0 HG21 VAL A 123 7.145 11.545 17.151 1.00 21.41 H new ATOM 0 HG22 VAL A 123 5.626 12.232 17.775 1.00 21.41 H new ATOM 0 HG23 VAL A 123 7.180 13.004 18.171 1.00 21.41 H new ATOM 2041 N VAL A 124 7.743 11.163 22.121 1.00 51.12 N ATOM 2042 CA VAL A 124 8.197 10.465 23.318 1.00 70.04 C ATOM 2043 C VAL A 124 7.373 10.869 24.535 1.00 24.02 C ATOM 2044 O VAL A 124 6.877 10.018 25.271 1.00 34.43 O ATOM 2045 CB VAL A 124 9.684 10.747 23.601 1.00 25.52 C ATOM 2046 CG1 VAL A 124 10.123 10.057 24.884 1.00 65.11 C ATOM 2047 CG2 VAL A 124 10.544 10.303 22.427 1.00 54.13 C ATOM 0 H VAL A 124 8.470 11.693 21.640 1.00 51.12 H new ATOM 0 HA VAL A 124 8.066 9.399 23.132 1.00 70.04 H new ATOM 0 HB VAL A 124 9.814 11.821 23.731 1.00 25.52 H new ATOM 0 HG11 VAL A 124 11.177 10.267 25.068 1.00 65.11 H new ATOM 0 HG12 VAL A 124 9.528 10.428 25.718 1.00 65.11 H new ATOM 0 HG13 VAL A 124 9.980 8.981 24.786 1.00 65.11 H new ATOM 0 HG21 VAL A 124 11.592 10.510 22.645 1.00 54.13 H new ATOM 0 HG22 VAL A 124 10.412 9.234 22.263 1.00 54.13 H new ATOM 0 HG23 VAL A 124 10.245 10.847 21.531 1.00 54.13 H new ATOM 2057 N ASN A 125 7.232 12.174 24.741 1.00 45.52 N ATOM 2058 CA ASN A 125 6.469 12.692 25.870 1.00 15.30 C ATOM 2059 C ASN A 125 5.028 12.193 25.827 1.00 73.41 C ATOM 2060 O ASN A 125 4.372 12.069 26.861 1.00 35.23 O ATOM 2061 CB ASN A 125 6.490 14.222 25.868 1.00 12.24 C ATOM 2062 CG ASN A 125 7.756 14.783 26.487 1.00 55.50 C ATOM 2063 OD1 ASN A 125 8.334 14.185 27.394 1.00 3.52 O ATOM 2064 ND2 ASN A 125 8.191 15.939 25.998 1.00 62.44 N ATOM 0 H ASN A 125 7.636 12.892 24.140 1.00 45.52 H new ATOM 0 HA ASN A 125 6.934 12.330 26.787 1.00 15.30 H new ATOM 0 HB2 ASN A 125 6.399 14.583 24.843 1.00 12.24 H new ATOM 0 HB3 ASN A 125 5.625 14.595 26.416 1.00 12.24 H new ATOM 0 HD21 ASN A 125 9.037 16.366 26.375 1.00 62.44 H new ATOM 0 HD22 ASN A 125 7.679 16.399 25.245 1.00 62.44 H new ATOM 2071 N ASP A 126 4.542 11.907 24.624 1.00 63.41 N ATOM 2072 CA ASP A 126 3.180 11.419 24.445 1.00 32.43 C ATOM 2073 C ASP A 126 3.067 9.956 24.865 1.00 11.45 C ATOM 2074 O ASP A 126 2.023 9.519 25.352 1.00 44.14 O ATOM 2075 CB ASP A 126 2.745 11.578 22.988 1.00 41.24 C ATOM 2076 CG ASP A 126 1.983 12.867 22.749 1.00 73.33 C ATOM 2077 OD1 ASP A 126 1.253 13.303 23.664 1.00 44.52 O ATOM 2078 OD2 ASP A 126 2.116 13.439 21.647 1.00 70.21 O ATOM 0 H ASP A 126 5.072 12.005 23.758 1.00 63.41 H new ATOM 0 HA ASP A 126 2.522 12.013 25.079 1.00 32.43 H new ATOM 0 HB2 ASP A 126 3.625 11.555 22.345 1.00 41.24 H new ATOM 0 HB3 ASP A 126 2.120 10.732 22.704 1.00 41.24 H new ATOM 2083 N ILE A 127 4.147 9.206 24.674 1.00 55.02 N ATOM 2084 CA ILE A 127 4.168 7.794 25.033 1.00 61.50 C ATOM 2085 C ILE A 127 4.168 7.611 26.547 1.00 42.20 C ATOM 2086 O ILE A 127 3.346 6.877 27.093 1.00 33.11 O ATOM 2087 CB ILE A 127 5.398 7.081 24.441 1.00 25.13 C ATOM 2088 CG1 ILE A 127 5.412 7.220 22.918 1.00 41.33 C ATOM 2089 CG2 ILE A 127 5.406 5.614 24.844 1.00 33.14 C ATOM 2090 CD1 ILE A 127 6.781 7.024 22.305 1.00 2.32 C ATOM 0 H ILE A 127 5.018 9.553 24.273 1.00 55.02 H new ATOM 0 HA ILE A 127 3.264 7.349 24.616 1.00 61.50 H new ATOM 0 HB ILE A 127 6.297 7.552 24.838 1.00 25.13 H new ATOM 0 HG12 ILE A 127 4.723 6.492 22.489 1.00 41.33 H new ATOM 0 HG13 ILE A 127 5.040 8.209 22.648 1.00 41.33 H new ATOM 0 HG21 ILE A 127 6.282 5.124 24.418 1.00 33.14 H new ATOM 0 HG22 ILE A 127 5.439 5.535 25.931 1.00 33.14 H new ATOM 0 HG23 ILE A 127 4.503 5.130 24.473 1.00 33.14 H new ATOM 0 HD11 ILE A 127 6.715 7.137 21.223 1.00 2.32 H new ATOM 0 HD12 ILE A 127 7.469 7.768 22.706 1.00 2.32 H new ATOM 0 HD13 ILE A 127 7.147 6.025 22.544 1.00 2.32 H new ATOM 2102 N GLU A 128 5.096 8.286 27.219 1.00 54.42 N ATOM 2103 CA GLU A 128 5.201 8.199 28.671 1.00 44.15 C ATOM 2104 C GLU A 128 3.882 8.579 29.336 1.00 33.21 C ATOM 2105 O GLU A 128 3.344 7.825 30.148 1.00 42.14 O ATOM 2106 CB GLU A 128 6.322 9.109 29.178 1.00 13.41 C ATOM 2107 CG GLU A 128 7.658 8.868 28.497 1.00 61.23 C ATOM 2108 CD GLU A 128 8.817 9.496 29.246 1.00 20.11 C ATOM 2109 OE1 GLU A 128 9.239 8.926 30.274 1.00 74.42 O ATOM 2110 OE2 GLU A 128 9.303 10.558 28.804 1.00 54.21 O ATOM 0 H GLU A 128 5.785 8.898 26.782 1.00 54.42 H new ATOM 0 HA GLU A 128 5.434 7.167 28.932 1.00 44.15 H new ATOM 0 HB2 GLU A 128 6.030 10.148 29.028 1.00 13.41 H new ATOM 0 HB3 GLU A 128 6.440 8.962 30.252 1.00 13.41 H new ATOM 0 HG2 GLU A 128 7.827 7.795 28.407 1.00 61.23 H new ATOM 0 HG3 GLU A 128 7.623 9.271 27.485 1.00 61.23 H new ATOM 2117 N ARG A 129 3.366 9.753 28.987 1.00 60.21 N ATOM 2118 CA ARG A 129 2.111 10.234 29.551 1.00 12.10 C ATOM 2119 C ARG A 129 0.996 9.213 29.346 1.00 54.12 C ATOM 2120 O ARG A 129 0.059 9.134 30.140 1.00 31.15 O ATOM 2121 CB ARG A 129 1.719 11.568 28.914 1.00 51.45 C ATOM 2122 CG ARG A 129 1.352 11.456 27.443 1.00 41.32 C ATOM 2123 CD ARG A 129 0.767 12.756 26.914 1.00 41.42 C ATOM 2124 NE ARG A 129 -0.254 12.523 25.896 1.00 42.21 N ATOM 2125 CZ ARG A 129 -1.049 13.475 25.420 1.00 5.43 C ATOM 2126 NH1 ARG A 129 -0.940 14.719 25.868 1.00 33.31 N ATOM 2127 NH2 ARG A 129 -1.953 13.185 24.494 1.00 35.14 N ATOM 0 H ARG A 129 3.798 10.389 28.316 1.00 60.21 H new ATOM 0 HA ARG A 129 2.255 10.379 30.622 1.00 12.10 H new ATOM 0 HB2 ARG A 129 0.874 11.987 29.460 1.00 51.45 H new ATOM 0 HB3 ARG A 129 2.547 12.269 29.021 1.00 51.45 H new ATOM 0 HG2 ARG A 129 2.238 11.193 26.865 1.00 41.32 H new ATOM 0 HG3 ARG A 129 0.631 10.650 27.307 1.00 41.32 H new ATOM 0 HD2 ARG A 129 0.334 13.321 27.739 1.00 41.42 H new ATOM 0 HD3 ARG A 129 1.565 13.368 26.494 1.00 41.42 H new ATOM 0 HE ARG A 129 -0.363 11.577 25.530 1.00 42.21 H new ATOM 0 HH11 ARG A 129 -0.245 14.946 26.579 1.00 33.31 H new ATOM 0 HH12 ARG A 129 -1.551 15.449 25.501 1.00 33.31 H new ATOM 0 HH21 ARG A 129 -2.039 12.230 24.146 1.00 35.14 H new ATOM 0 HH22 ARG A 129 -2.563 13.917 24.130 1.00 35.14 H new ATOM 2141 N SER A 130 1.103 8.434 28.274 1.00 4.12 N ATOM 2142 CA SER A 130 0.102 7.421 27.962 1.00 61.01 C ATOM 2143 C SER A 130 -0.069 6.449 29.126 1.00 51.44 C ATOM 2144 O SER A 130 -1.190 6.131 29.524 1.00 32.12 O ATOM 2145 CB SER A 130 0.498 6.656 26.698 1.00 74.44 C ATOM 2146 OG SER A 130 -0.647 6.182 26.009 1.00 40.40 O ATOM 0 H SER A 130 1.873 8.485 27.607 1.00 4.12 H new ATOM 0 HA SER A 130 -0.849 7.926 27.790 1.00 61.01 H new ATOM 0 HB2 SER A 130 1.078 7.306 26.042 1.00 74.44 H new ATOM 0 HB3 SER A 130 1.140 5.816 26.963 1.00 74.44 H new ATOM 0 HG SER A 130 -0.431 6.061 25.061 1.00 40.40 H new ATOM 2152 N LEU A 131 1.050 5.981 29.667 1.00 43.53 N ATOM 2153 CA LEU A 131 1.026 5.046 30.786 1.00 63.45 C ATOM 2154 C LEU A 131 0.691 5.764 32.089 1.00 73.51 C ATOM 2155 O LEU A 131 -0.145 5.303 32.865 1.00 34.43 O ATOM 2156 CB LEU A 131 2.376 4.338 30.913 1.00 63.30 C ATOM 2157 CG LEU A 131 2.885 3.632 29.656 1.00 62.43 C ATOM 2158 CD1 LEU A 131 1.723 3.067 28.853 1.00 3.03 C ATOM 2159 CD2 LEU A 131 3.710 4.586 28.805 1.00 55.54 C ATOM 0 H LEU A 131 1.986 6.234 29.349 1.00 43.53 H new ATOM 0 HA LEU A 131 0.251 4.305 30.592 1.00 63.45 H new ATOM 0 HB2 LEU A 131 3.121 5.072 31.220 1.00 63.30 H new ATOM 0 HB3 LEU A 131 2.304 3.603 31.714 1.00 63.30 H new ATOM 0 HG LEU A 131 3.525 2.804 29.962 1.00 62.43 H new ATOM 0 HD11 LEU A 131 2.105 2.568 27.962 1.00 3.03 H new ATOM 0 HD12 LEU A 131 1.174 2.350 29.463 1.00 3.03 H new ATOM 0 HD13 LEU A 131 1.057 3.877 28.558 1.00 3.03 H new ATOM 0 HD21 LEU A 131 4.064 4.066 27.915 1.00 55.54 H new ATOM 0 HD22 LEU A 131 3.094 5.435 28.509 1.00 55.54 H new ATOM 0 HD23 LEU A 131 4.564 4.941 29.381 1.00 55.54 H new ATOM 2171 N ALA A 132 1.347 6.896 32.321 1.00 60.42 N ATOM 2172 CA ALA A 132 1.115 7.680 33.528 1.00 62.54 C ATOM 2173 C ALA A 132 -0.355 8.062 33.660 1.00 40.23 C ATOM 2174 O ALA A 132 -0.863 8.237 34.767 1.00 55.25 O ATOM 2175 CB ALA A 132 1.989 8.925 33.523 1.00 14.45 C ATOM 0 H ALA A 132 2.043 7.291 31.689 1.00 60.42 H new ATOM 0 HA ALA A 132 1.381 7.066 34.388 1.00 62.54 H new ATOM 0 HB1 ALA A 132 1.806 9.502 34.430 1.00 14.45 H new ATOM 0 HB2 ALA A 132 3.038 8.633 33.484 1.00 14.45 H new ATOM 0 HB3 ALA A 132 1.750 9.534 32.651 1.00 14.45 H new ATOM 2181 N ALA A 133 -1.032 8.191 32.524 1.00 54.24 N ATOM 2182 CA ALA A 133 -2.445 8.552 32.513 1.00 4.00 C ATOM 2183 C ALA A 133 -3.320 7.352 32.859 1.00 53.44 C ATOM 2184 O ALA A 133 -4.449 7.509 33.323 1.00 52.23 O ATOM 2185 CB ALA A 133 -2.834 9.119 31.156 1.00 74.00 C ATOM 0 H ALA A 133 -0.625 8.051 31.599 1.00 54.24 H new ATOM 0 HA ALA A 133 -2.606 9.317 33.273 1.00 4.00 H new ATOM 0 HB1 ALA A 133 -3.891 9.384 31.162 1.00 74.00 H new ATOM 0 HB2 ALA A 133 -2.238 10.008 30.949 1.00 74.00 H new ATOM 0 HB3 ALA A 133 -2.652 8.372 30.384 1.00 74.00 H new ATOM 2191 N ALA A 134 -2.793 6.155 32.628 1.00 25.45 N ATOM 2192 CA ALA A 134 -3.526 4.928 32.917 1.00 51.41 C ATOM 2193 C ALA A 134 -3.161 4.381 34.293 1.00 71.05 C ATOM 2194 O ALA A 134 -3.266 3.179 34.542 1.00 52.32 O ATOM 2195 CB ALA A 134 -3.254 3.886 31.843 1.00 73.24 C ATOM 0 H ALA A 134 -1.861 6.008 32.241 1.00 25.45 H new ATOM 0 HA ALA A 134 -4.591 5.162 32.919 1.00 51.41 H new ATOM 0 HB1 ALA A 134 -3.807 2.975 32.071 1.00 73.24 H new ATOM 0 HB2 ALA A 134 -3.572 4.271 30.874 1.00 73.24 H new ATOM 0 HB3 ALA A 134 -2.187 3.664 31.813 1.00 73.24 H new ATOM 2201 N LEU A 135 -2.731 5.269 35.182 1.00 32.23 N ATOM 2202 CA LEU A 135 -2.350 4.874 36.534 1.00 44.21 C ATOM 2203 C LEU A 135 -3.541 4.294 37.289 1.00 54.41 C ATOM 2204 O LEU A 135 -3.395 3.357 38.072 1.00 60.52 O ATOM 2205 CB LEU A 135 -1.783 6.074 37.296 1.00 72.32 C ATOM 2206 CG LEU A 135 -0.757 5.754 38.383 1.00 3.31 C ATOM 2207 CD1 LEU A 135 -1.384 4.902 39.476 1.00 41.34 C ATOM 2208 CD2 LEU A 135 0.453 5.051 37.785 1.00 41.54 C ATOM 0 H LEU A 135 -2.637 6.267 34.992 1.00 32.23 H new ATOM 0 HA LEU A 135 -1.583 4.104 36.458 1.00 44.21 H new ATOM 0 HB2 LEU A 135 -1.322 6.751 36.577 1.00 72.32 H new ATOM 0 HB3 LEU A 135 -2.612 6.613 37.754 1.00 72.32 H new ATOM 0 HG LEU A 135 -0.424 6.692 38.828 1.00 3.31 H new ATOM 0 HD11 LEU A 135 -0.638 4.685 40.241 1.00 41.34 H new ATOM 0 HD12 LEU A 135 -2.217 5.442 39.925 1.00 41.34 H new ATOM 0 HD13 LEU A 135 -1.746 3.968 39.046 1.00 41.34 H new ATOM 0 HD21 LEU A 135 1.173 4.831 38.574 1.00 41.54 H new ATOM 0 HD22 LEU A 135 0.137 4.121 37.313 1.00 41.54 H new ATOM 0 HD23 LEU A 135 0.917 5.697 37.040 1.00 41.54 H new ATOM 2220 N GLU A 136 -4.720 4.858 37.046 1.00 15.30 N ATOM 2221 CA GLU A 136 -5.937 4.396 37.703 1.00 75.44 C ATOM 2222 C GLU A 136 -6.389 3.055 37.130 1.00 64.11 C ATOM 2223 O GLU A 136 -6.220 2.787 35.940 1.00 53.32 O ATOM 2224 CB GLU A 136 -7.053 5.431 37.546 1.00 72.21 C ATOM 2225 CG GLU A 136 -8.336 5.057 38.269 1.00 73.01 C ATOM 2226 CD GLU A 136 -8.186 5.088 39.777 1.00 32.25 C ATOM 2227 OE1 GLU A 136 -8.384 6.169 40.371 1.00 75.22 O ATOM 2228 OE2 GLU A 136 -7.870 4.032 40.365 1.00 54.05 O ATOM 0 H GLU A 136 -4.858 5.635 36.400 1.00 15.30 H new ATOM 0 HA GLU A 136 -5.719 4.265 38.763 1.00 75.44 H new ATOM 0 HB2 GLU A 136 -6.701 6.392 37.921 1.00 72.21 H new ATOM 0 HB3 GLU A 136 -7.269 5.563 36.486 1.00 72.21 H new ATOM 0 HG2 GLU A 136 -9.129 5.743 37.972 1.00 73.01 H new ATOM 0 HG3 GLU A 136 -8.646 4.059 37.959 1.00 73.01 H new ATOM 2235 N HIS A 137 -6.962 2.215 37.986 1.00 11.31 N ATOM 2236 CA HIS A 137 -7.438 0.902 37.566 1.00 21.13 C ATOM 2237 C HIS A 137 -8.869 0.984 37.044 1.00 60.13 C ATOM 2238 O HIS A 137 -9.691 1.734 37.570 1.00 11.45 O ATOM 2239 CB HIS A 137 -7.363 -0.087 38.730 1.00 15.22 C ATOM 2240 CG HIS A 137 -7.739 -1.486 38.352 1.00 71.50 C ATOM 2241 ND1 HIS A 137 -8.619 -2.254 39.085 1.00 14.34 N ATOM 2242 CD2 HIS A 137 -7.350 -2.257 37.309 1.00 2.42 C ATOM 2243 CE1 HIS A 137 -8.754 -3.436 38.511 1.00 1.21 C ATOM 2244 NE2 HIS A 137 -7.994 -3.463 37.431 1.00 72.01 N ATOM 0 H HIS A 137 -7.108 2.420 38.974 1.00 11.31 H new ATOM 0 HA HIS A 137 -6.795 0.551 36.759 1.00 21.13 H new ATOM 0 HB2 HIS A 137 -6.349 -0.088 39.131 1.00 15.22 H new ATOM 0 HB3 HIS A 137 -8.021 0.254 39.529 1.00 15.22 H new ATOM 0 HD2 HIS A 137 -6.661 -1.975 36.526 1.00 2.42 H new ATOM 0 HE1 HIS A 137 -9.379 -4.243 38.864 1.00 1.21 H new ATOM 0 HE2 HIS A 137 -7.901 -4.252 36.791 1.00 72.01 H new ATOM 2252 N HIS A 138 -9.160 0.208 36.004 1.00 22.03 N ATOM 2253 CA HIS A 138 -10.492 0.193 35.410 1.00 1.33 C ATOM 2254 C HIS A 138 -11.225 -1.100 35.752 1.00 21.43 C ATOM 2255 O HIS A 138 -10.952 -2.151 35.171 1.00 34.53 O ATOM 2256 CB HIS A 138 -10.398 0.354 33.893 1.00 54.33 C ATOM 2257 CG HIS A 138 -11.732 0.406 33.213 1.00 42.33 C ATOM 2258 ND1 HIS A 138 -12.881 0.839 33.841 1.00 63.42 N ATOM 2259 CD2 HIS A 138 -12.095 0.079 31.951 1.00 73.24 C ATOM 2260 CE1 HIS A 138 -13.893 0.773 32.995 1.00 15.02 C ATOM 2261 NE2 HIS A 138 -13.443 0.315 31.841 1.00 55.52 N ATOM 0 H HIS A 138 -8.491 -0.418 35.556 1.00 22.03 H new ATOM 0 HA HIS A 138 -11.056 1.029 35.822 1.00 1.33 H new ATOM 0 HB2 HIS A 138 -9.848 1.267 33.666 1.00 54.33 H new ATOM 0 HB3 HIS A 138 -9.822 -0.476 33.483 1.00 54.33 H new ATOM 0 HD2 HIS A 138 -11.445 -0.298 31.175 1.00 73.24 H new ATOM 0 HE1 HIS A 138 -14.915 1.047 33.210 1.00 15.02 H new ATOM 0 HE2 HIS A 138 -14.005 0.162 31.004 1.00 55.52 H new TER 2269 HIS A 138