USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 13 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.54) USER MOD Set 1.2: A 38 GLN : amide:sc= 0 X(o=-0.36,f=-0.63) USER MOD Single : A 1 LYS N :NH3+ -128:sc= -0.489 (180deg=-2.45!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 45:sc= 0.745 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -56:sc= 0.104 USER MOD Single : A 27 MET CE :methyl -159:sc= -0.0644 (180deg=-0.42) USER MOD Single : A 30 GLN : amide:sc= -0.0715 K(o=-0.071,f=-0.61) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 139:sc= -7.37! (180deg=-12.6!) USER MOD Single : A 39 ASN : amide:sc= -0.753 K(o=-0.75,f=-2.6!) USER MOD Single : A 44 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -2.7 K(o=-2.7,f=-1.2) USER MOD Single : A 58 SER OG : rot 180:sc= -0.952 USER MOD Single : A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.42) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 138:sc= -3.63! (180deg=-7.42!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 90 GLN : amide:sc= -0.492 K(o=-0.49,f=-4.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 86:sc= 0.213 USER MOD Single : A 95 MET CE :methyl -154:sc= -0.298 (180deg=-1.09) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 33.566 71.623 60.852 1.00 22.44 N ATOM 2 CA LYS A 1 33.994 72.796 61.604 1.00 10.04 C ATOM 3 C LYS A 1 33.153 72.971 62.865 1.00 62.35 C ATOM 4 O LYS A 1 33.677 73.290 63.931 1.00 54.10 O ATOM 5 CB LYS A 1 33.893 74.050 60.733 1.00 62.04 C ATOM 6 CG LYS A 1 35.172 74.870 60.697 1.00 51.45 C ATOM 7 CD LYS A 1 35.520 75.299 59.282 1.00 74.41 C ATOM 8 CE LYS A 1 35.260 76.783 59.070 1.00 42.33 C ATOM 9 NZ LYS A 1 33.905 77.034 58.506 1.00 12.10 N ATOM 0 H1 LYS A 1 34.389 71.019 60.653 1.00 22.44 H new ATOM 0 H2 LYS A 1 32.871 71.088 61.410 1.00 22.44 H new ATOM 0 H3 LYS A 1 33.132 71.924 59.956 1.00 22.44 H new ATOM 0 HA LYS A 1 35.033 72.648 61.899 1.00 10.04 H new ATOM 0 HB2 LYS A 1 33.631 73.756 59.717 1.00 62.04 H new ATOM 0 HB3 LYS A 1 33.081 74.675 61.104 1.00 62.04 H new ATOM 0 HG2 LYS A 1 35.058 75.752 61.328 1.00 51.45 H new ATOM 0 HG3 LYS A 1 35.992 74.285 61.113 1.00 51.45 H new ATOM 0 HD2 LYS A 1 36.569 75.080 59.082 1.00 74.41 H new ATOM 0 HD3 LYS A 1 34.932 74.720 58.570 1.00 74.41 H new ATOM 0 HE2 LYS A 1 35.361 77.309 60.020 1.00 42.33 H new ATOM 0 HE3 LYS A 1 36.015 77.191 58.398 1.00 42.33 H new ATOM 0 HZ1 LYS A 1 33.767 78.057 58.376 1.00 12.10 H new ATOM 0 HZ2 LYS A 1 33.817 76.554 57.588 1.00 12.10 H new ATOM 0 HZ3 LYS A 1 33.184 76.667 59.159 1.00 12.10 H new ATOM 23 N GLN A 2 31.847 72.759 62.733 1.00 1.43 N ATOM 24 CA GLN A 2 30.935 72.892 63.863 1.00 24.21 C ATOM 25 C GLN A 2 29.823 71.852 63.790 1.00 12.45 C ATOM 26 O GLN A 2 29.356 71.503 62.705 1.00 74.04 O ATOM 27 CB GLN A 2 30.333 74.298 63.896 1.00 73.30 C ATOM 28 CG GLN A 2 31.358 75.393 64.141 1.00 74.14 C ATOM 29 CD GLN A 2 30.914 76.381 65.202 1.00 62.15 C ATOM 30 OE1 GLN A 2 29.862 77.008 65.080 1.00 74.24 O ATOM 31 NE2 GLN A 2 31.717 76.524 66.250 1.00 74.31 N ATOM 0 H GLN A 2 31.398 72.495 61.856 1.00 1.43 H new ATOM 0 HA GLN A 2 31.503 72.726 64.778 1.00 24.21 H new ATOM 0 HB2 GLN A 2 29.828 74.490 62.950 1.00 73.30 H new ATOM 0 HB3 GLN A 2 29.574 74.341 64.677 1.00 73.30 H new ATOM 0 HG2 GLN A 2 32.302 74.940 64.444 1.00 74.14 H new ATOM 0 HG3 GLN A 2 31.544 75.926 63.209 1.00 74.14 H new ATOM 0 HE21 GLN A 2 32.580 75.983 66.309 1.00 74.31 H new ATOM 0 HE22 GLN A 2 31.471 77.175 66.996 1.00 74.31 H new ATOM 40 N GLN A 3 29.403 71.359 64.951 1.00 20.54 N ATOM 41 CA GLN A 3 28.345 70.357 65.018 1.00 62.14 C ATOM 42 C GLN A 3 28.768 69.073 64.312 1.00 33.14 C ATOM 43 O GLN A 3 27.976 68.456 63.597 1.00 43.31 O ATOM 44 CB GLN A 3 27.059 70.899 64.391 1.00 65.14 C ATOM 45 CG GLN A 3 26.454 72.064 65.157 1.00 34.14 C ATOM 46 CD GLN A 3 26.061 71.690 66.573 1.00 31.40 C ATOM 47 OE1 GLN A 3 25.126 70.919 66.786 1.00 14.31 O ATOM 48 NE2 GLN A 3 26.775 72.237 67.549 1.00 21.00 N ATOM 0 H GLN A 3 29.779 71.637 65.858 1.00 20.54 H new ATOM 0 HA GLN A 3 28.160 70.129 66.068 1.00 62.14 H new ATOM 0 HB2 GLN A 3 27.268 71.216 63.369 1.00 65.14 H new ATOM 0 HB3 GLN A 3 26.326 70.094 64.331 1.00 65.14 H new ATOM 0 HG2 GLN A 3 27.170 72.885 65.188 1.00 34.14 H new ATOM 0 HG3 GLN A 3 25.575 72.427 64.624 1.00 34.14 H new ATOM 0 HE21 GLN A 3 27.542 72.871 67.326 1.00 21.00 H new ATOM 0 HE22 GLN A 3 26.557 72.023 68.522 1.00 21.00 H new ATOM 57 N LEU A 4 30.019 68.675 64.516 1.00 32.03 N ATOM 58 CA LEU A 4 30.547 67.463 63.898 1.00 33.31 C ATOM 59 C LEU A 4 30.154 66.227 64.701 1.00 31.44 C ATOM 60 O LEU A 4 29.579 65.282 64.161 1.00 72.12 O ATOM 61 CB LEU A 4 32.069 67.548 63.783 1.00 43.22 C ATOM 62 CG LEU A 4 32.617 68.726 62.977 1.00 31.20 C ATOM 63 CD1 LEU A 4 33.683 69.466 63.770 1.00 15.20 C ATOM 64 CD2 LEU A 4 33.177 68.247 61.646 1.00 64.34 C ATOM 0 H LEU A 4 30.687 69.174 65.104 1.00 32.03 H new ATOM 0 HA LEU A 4 30.118 67.376 62.900 1.00 33.31 H new ATOM 0 HB2 LEU A 4 32.487 67.596 64.788 1.00 43.22 H new ATOM 0 HB3 LEU A 4 32.431 66.625 63.331 1.00 43.22 H new ATOM 0 HG LEU A 4 31.798 69.416 62.777 1.00 31.20 H new ATOM 0 HD11 LEU A 4 34.061 70.301 63.180 1.00 15.20 H new ATOM 0 HD12 LEU A 4 33.251 69.843 64.697 1.00 15.20 H new ATOM 0 HD13 LEU A 4 34.502 68.785 64.002 1.00 15.20 H new ATOM 0 HD21 LEU A 4 33.563 69.099 61.086 1.00 64.34 H new ATOM 0 HD22 LEU A 4 33.983 67.536 61.825 1.00 64.34 H new ATOM 0 HD23 LEU A 4 32.387 67.763 61.072 1.00 64.34 H new ATOM 76 N GLN A 5 30.465 66.243 65.993 1.00 40.23 N ATOM 77 CA GLN A 5 30.142 65.124 66.870 1.00 63.14 C ATOM 78 C GLN A 5 30.935 63.881 66.480 1.00 3.32 C ATOM 79 O GLN A 5 30.451 62.758 66.613 1.00 41.11 O ATOM 80 CB GLN A 5 28.643 64.825 66.819 1.00 44.30 C ATOM 81 CG GLN A 5 27.938 65.024 68.151 1.00 4.41 C ATOM 82 CD GLN A 5 26.563 64.387 68.184 1.00 12.04 C ATOM 83 OE1 GLN A 5 25.935 64.185 67.144 1.00 1.04 O ATOM 84 NE2 GLN A 5 26.086 64.065 69.381 1.00 70.24 N ATOM 0 H GLN A 5 30.940 67.018 66.455 1.00 40.23 H new ATOM 0 HA GLN A 5 30.415 65.402 67.888 1.00 63.14 H new ATOM 0 HB2 GLN A 5 28.178 65.468 66.071 1.00 44.30 H new ATOM 0 HB3 GLN A 5 28.497 63.796 66.490 1.00 44.30 H new ATOM 0 HG2 GLN A 5 28.549 64.601 68.948 1.00 4.41 H new ATOM 0 HG3 GLN A 5 27.845 66.091 68.353 1.00 4.41 H new ATOM 0 HE21 GLN A 5 26.640 64.250 70.217 1.00 70.24 H new ATOM 0 HE22 GLN A 5 25.166 63.633 69.464 1.00 70.24 H new ATOM 93 N GLU A 6 32.156 64.090 65.997 1.00 70.41 N ATOM 94 CA GLU A 6 33.015 62.986 65.586 1.00 55.52 C ATOM 95 C GLU A 6 33.866 62.495 66.754 1.00 11.35 C ATOM 96 O GLU A 6 34.085 61.294 66.914 1.00 51.35 O ATOM 97 CB GLU A 6 33.918 63.416 64.429 1.00 62.41 C ATOM 98 CG GLU A 6 34.325 62.271 63.516 1.00 22.54 C ATOM 99 CD GLU A 6 34.139 62.601 62.048 1.00 60.34 C ATOM 100 OE1 GLU A 6 33.020 63.003 61.666 1.00 62.25 O ATOM 101 OE2 GLU A 6 35.114 62.460 61.281 1.00 5.24 O ATOM 0 H GLU A 6 32.572 65.014 65.881 1.00 70.41 H new ATOM 0 HA GLU A 6 32.377 62.167 65.254 1.00 55.52 H new ATOM 0 HB2 GLU A 6 33.403 64.174 63.839 1.00 62.41 H new ATOM 0 HB3 GLU A 6 34.816 63.883 64.834 1.00 62.41 H new ATOM 0 HG2 GLU A 6 35.370 62.020 63.698 1.00 22.54 H new ATOM 0 HG3 GLU A 6 33.737 61.387 63.763 1.00 22.54 H new ATOM 108 N HIS A 7 34.341 63.432 67.567 1.00 55.24 N ATOM 109 CA HIS A 7 35.168 63.096 68.722 1.00 25.30 C ATOM 110 C HIS A 7 34.729 61.770 69.336 1.00 3.05 C ATOM 111 O HIS A 7 35.553 60.893 69.598 1.00 74.11 O ATOM 112 CB HIS A 7 35.094 64.206 69.770 1.00 62.42 C ATOM 113 CG HIS A 7 35.818 65.455 69.371 1.00 42.25 C ATOM 114 ND1 HIS A 7 37.187 65.595 69.467 1.00 13.42 N ATOM 115 CD2 HIS A 7 35.357 66.625 68.870 1.00 32.00 C ATOM 116 CE1 HIS A 7 37.535 66.797 69.046 1.00 71.13 C ATOM 117 NE2 HIS A 7 36.444 67.442 68.677 1.00 14.21 N ATOM 0 H HIS A 7 34.168 64.430 67.448 1.00 55.24 H new ATOM 0 HA HIS A 7 36.199 62.996 68.383 1.00 25.30 H new ATOM 0 HB2 HIS A 7 34.048 64.447 69.959 1.00 62.42 H new ATOM 0 HB3 HIS A 7 35.511 63.838 70.707 1.00 62.42 H new ATOM 0 HD2 HIS A 7 34.326 66.870 68.661 1.00 32.00 H new ATOM 0 HE1 HIS A 7 38.542 67.187 69.010 1.00 71.13 H new ATOM 0 HE2 HIS A 7 36.413 68.393 68.308 1.00 14.21 H new ATOM 125 N ALA A 8 33.427 61.631 69.563 1.00 5.32 N ATOM 126 CA ALA A 8 32.879 60.412 70.145 1.00 73.14 C ATOM 127 C ALA A 8 31.453 60.166 69.664 1.00 60.20 C ATOM 128 O ALA A 8 30.557 60.988 69.856 1.00 54.41 O ATOM 129 CB ALA A 8 32.919 60.488 71.664 1.00 74.31 C ATOM 0 H ALA A 8 32.732 62.347 69.353 1.00 5.32 H new ATOM 0 HA ALA A 8 33.495 59.574 69.817 1.00 73.14 H new ATOM 0 HB1 ALA A 8 32.507 59.571 72.085 1.00 74.31 H new ATOM 0 HB2 ALA A 8 33.951 60.608 71.995 1.00 74.31 H new ATOM 0 HB3 ALA A 8 32.328 61.340 72.001 1.00 74.31 H new ATOM 135 N PRO A 9 31.236 59.009 69.020 1.00 70.25 N ATOM 136 CA PRO A 9 29.921 58.629 68.498 1.00 62.12 C ATOM 137 C PRO A 9 28.925 58.311 69.608 1.00 71.03 C ATOM 138 O PRO A 9 29.300 58.187 70.774 1.00 4.20 O ATOM 139 CB PRO A 9 30.217 57.376 67.670 1.00 20.51 C ATOM 140 CG PRO A 9 31.455 56.807 68.273 1.00 32.42 C ATOM 141 CD PRO A 9 32.259 57.983 68.754 1.00 71.34 C ATOM 0 HA PRO A 9 29.461 59.436 67.927 1.00 62.12 H new ATOM 0 HB2 PRO A 9 29.391 56.666 67.717 1.00 20.51 H new ATOM 0 HB3 PRO A 9 30.366 57.622 66.619 1.00 20.51 H new ATOM 0 HG2 PRO A 9 31.215 56.135 69.097 1.00 32.42 H new ATOM 0 HG3 PRO A 9 32.014 56.225 67.540 1.00 32.42 H new ATOM 0 HD2 PRO A 9 32.828 57.741 69.651 1.00 71.34 H new ATOM 0 HD3 PRO A 9 32.975 58.315 68.002 1.00 71.34 H new ATOM 149 N SER A 10 27.655 58.182 69.238 1.00 14.50 N ATOM 150 CA SER A 10 26.606 57.881 70.204 1.00 34.34 C ATOM 151 C SER A 10 25.315 57.479 69.496 1.00 73.21 C ATOM 152 O SER A 10 25.102 57.813 68.330 1.00 51.02 O ATOM 153 CB SER A 10 26.350 59.091 71.105 1.00 62.14 C ATOM 154 OG SER A 10 27.098 59.001 72.304 1.00 55.40 O ATOM 0 H SER A 10 27.328 58.281 68.277 1.00 14.50 H new ATOM 0 HA SER A 10 26.941 57.044 70.817 1.00 34.34 H new ATOM 0 HB2 SER A 10 26.615 60.006 70.575 1.00 62.14 H new ATOM 0 HB3 SER A 10 25.287 59.155 71.340 1.00 62.14 H new ATOM 0 HG SER A 10 28.015 58.724 72.097 1.00 55.40 H new ATOM 160 N HIS A 11 24.455 56.758 70.211 1.00 64.12 N ATOM 161 CA HIS A 11 23.185 56.310 69.652 1.00 11.41 C ATOM 162 C HIS A 11 22.098 57.358 69.866 1.00 34.34 C ATOM 163 O HIS A 11 22.333 58.393 70.490 1.00 25.11 O ATOM 164 CB HIS A 11 22.764 54.985 70.287 1.00 51.10 C ATOM 165 CG HIS A 11 23.843 53.947 70.279 1.00 5.21 C ATOM 166 ND1 HIS A 11 24.154 53.193 69.166 1.00 20.00 N ATOM 167 CD2 HIS A 11 24.688 53.539 71.255 1.00 3.12 C ATOM 168 CE1 HIS A 11 25.142 52.367 69.459 1.00 12.01 C ATOM 169 NE2 HIS A 11 25.485 52.557 70.720 1.00 14.41 N ATOM 0 H HIS A 11 24.615 56.473 71.177 1.00 64.12 H new ATOM 0 HA HIS A 11 23.319 56.164 68.580 1.00 11.41 H new ATOM 0 HB2 HIS A 11 22.454 55.167 71.316 1.00 51.10 H new ATOM 0 HB3 HIS A 11 21.894 54.597 69.756 1.00 51.10 H new ATOM 0 HD2 HIS A 11 24.728 53.916 72.266 1.00 3.12 H new ATOM 0 HE1 HIS A 11 25.593 51.657 68.782 1.00 12.01 H new ATOM 0 HE2 HIS A 11 26.222 52.056 71.216 1.00 14.41 H new ATOM 177 N ALA A 12 20.907 57.084 69.343 1.00 34.04 N ATOM 178 CA ALA A 12 19.783 58.002 69.478 1.00 73.30 C ATOM 179 C ALA A 12 18.511 57.260 69.874 1.00 52.41 C ATOM 180 O ALA A 12 18.397 56.052 69.670 1.00 43.24 O ATOM 181 CB ALA A 12 19.567 58.767 68.180 1.00 42.32 C ATOM 0 H ALA A 12 20.696 56.233 68.822 1.00 34.04 H new ATOM 0 HA ALA A 12 20.020 58.712 70.271 1.00 73.30 H new ATOM 0 HB1 ALA A 12 18.724 59.449 68.295 1.00 42.32 H new ATOM 0 HB2 ALA A 12 20.465 59.337 67.940 1.00 42.32 H new ATOM 0 HB3 ALA A 12 19.357 58.064 67.374 1.00 42.32 H new ATOM 187 N ASN A 13 17.557 57.991 70.442 1.00 31.10 N ATOM 188 CA ASN A 13 16.294 57.400 70.869 1.00 63.41 C ATOM 189 C ASN A 13 15.581 56.735 69.694 1.00 12.12 C ATOM 190 O ASN A 13 14.950 55.689 69.850 1.00 45.10 O ATOM 191 CB ASN A 13 15.391 58.469 71.489 1.00 23.51 C ATOM 192 CG ASN A 13 14.468 59.108 70.469 1.00 41.11 C ATOM 193 OD1 ASN A 13 13.358 58.631 70.234 1.00 71.14 O ATOM 194 ND2 ASN A 13 14.925 60.195 69.857 1.00 40.21 N ATOM 0 H ASN A 13 17.635 58.993 70.617 1.00 31.10 H new ATOM 0 HA ASN A 13 16.512 56.639 71.618 1.00 63.41 H new ATOM 0 HB2 ASN A 13 14.795 58.021 72.284 1.00 23.51 H new ATOM 0 HB3 ASN A 13 16.009 59.240 71.950 1.00 23.51 H new ATOM 0 HD21 ASN A 13 14.349 60.669 69.161 1.00 40.21 H new ATOM 0 HD22 ASN A 13 15.852 60.556 70.083 1.00 40.21 H new ATOM 201 N LEU A 14 15.686 57.348 68.521 1.00 45.45 N ATOM 202 CA LEU A 14 15.053 56.815 67.319 1.00 74.23 C ATOM 203 C LEU A 14 15.601 55.433 66.982 1.00 52.14 C ATOM 204 O LEU A 14 14.956 54.653 66.282 1.00 3.40 O ATOM 205 CB LEU A 14 15.272 57.765 66.141 1.00 31.43 C ATOM 206 CG LEU A 14 16.713 57.910 65.653 1.00 52.25 C ATOM 207 CD1 LEU A 14 16.931 57.104 64.382 1.00 53.42 C ATOM 208 CD2 LEU A 14 17.054 59.375 65.423 1.00 20.24 C ATOM 0 H LEU A 14 16.203 58.215 68.376 1.00 45.45 H new ATOM 0 HA LEU A 14 13.984 56.724 67.511 1.00 74.23 H new ATOM 0 HB2 LEU A 14 14.660 57.423 65.306 1.00 31.43 H new ATOM 0 HB3 LEU A 14 14.904 58.752 66.423 1.00 31.43 H new ATOM 0 HG LEU A 14 17.377 57.520 66.424 1.00 52.25 H new ATOM 0 HD11 LEU A 14 17.963 57.220 64.050 1.00 53.42 H new ATOM 0 HD12 LEU A 14 16.730 56.051 64.580 1.00 53.42 H new ATOM 0 HD13 LEU A 14 16.257 57.462 63.604 1.00 53.42 H new ATOM 0 HD21 LEU A 14 18.084 59.459 65.076 1.00 20.24 H new ATOM 0 HD22 LEU A 14 16.383 59.791 64.672 1.00 20.24 H new ATOM 0 HD23 LEU A 14 16.940 59.926 66.357 1.00 20.24 H new ATOM 220 N ASP A 15 16.794 55.136 67.486 1.00 74.20 N ATOM 221 CA ASP A 15 17.428 53.846 67.241 1.00 13.02 C ATOM 222 C ASP A 15 16.960 52.809 68.258 1.00 64.32 C ATOM 223 O ASP A 15 17.383 52.822 69.413 1.00 74.24 O ATOM 224 CB ASP A 15 18.950 53.983 67.297 1.00 41.14 C ATOM 225 CG ASP A 15 19.652 53.024 66.356 1.00 42.45 C ATOM 226 OD1 ASP A 15 19.869 51.859 66.749 1.00 1.14 O ATOM 227 OD2 ASP A 15 19.986 53.439 65.227 1.00 62.40 O ATOM 0 H ASP A 15 17.341 55.771 68.067 1.00 74.20 H new ATOM 0 HA ASP A 15 17.138 53.509 66.246 1.00 13.02 H new ATOM 0 HB2 ASP A 15 19.229 55.006 67.044 1.00 41.14 H new ATOM 0 HB3 ASP A 15 19.291 53.802 68.316 1.00 41.14 H new ATOM 232 N VAL A 16 16.084 51.911 67.819 1.00 63.31 N ATOM 233 CA VAL A 16 15.558 50.866 68.689 1.00 73.34 C ATOM 234 C VAL A 16 15.404 49.549 67.937 1.00 74.33 C ATOM 235 O VAL A 16 14.940 49.524 66.797 1.00 33.22 O ATOM 236 CB VAL A 16 14.196 51.267 69.287 1.00 44.44 C ATOM 237 CG1 VAL A 16 13.678 50.176 70.212 1.00 73.23 C ATOM 238 CG2 VAL A 16 14.307 52.593 70.023 1.00 63.51 C ATOM 0 H VAL A 16 15.723 51.886 66.865 1.00 63.31 H new ATOM 0 HA VAL A 16 16.277 50.736 69.498 1.00 73.34 H new ATOM 0 HB VAL A 16 13.482 51.389 68.472 1.00 44.44 H new ATOM 0 HG11 VAL A 16 12.715 50.476 70.625 1.00 73.23 H new ATOM 0 HG12 VAL A 16 13.559 49.249 69.651 1.00 73.23 H new ATOM 0 HG13 VAL A 16 14.388 50.020 71.024 1.00 73.23 H new ATOM 0 HG21 VAL A 16 13.336 52.861 70.439 1.00 63.51 H new ATOM 0 HG22 VAL A 16 15.034 52.502 70.830 1.00 63.51 H new ATOM 0 HG23 VAL A 16 14.631 53.368 69.329 1.00 63.51 H new ATOM 248 N LYS A 17 15.796 48.456 68.582 1.00 54.51 N ATOM 249 CA LYS A 17 15.699 47.134 67.976 1.00 40.53 C ATOM 250 C LYS A 17 14.248 46.780 67.669 1.00 13.41 C ATOM 251 O LYS A 17 13.336 47.553 67.963 1.00 32.33 O ATOM 252 CB LYS A 17 16.307 46.080 68.905 1.00 5.00 C ATOM 253 CG LYS A 17 17.702 46.429 69.392 1.00 63.23 C ATOM 254 CD LYS A 17 18.183 45.455 70.453 1.00 2.50 C ATOM 255 CE LYS A 17 19.619 45.017 70.199 1.00 33.33 C ATOM 256 NZ LYS A 17 20.277 44.529 71.442 1.00 11.24 N ATOM 0 H LYS A 17 16.184 48.460 69.525 1.00 54.51 H new ATOM 0 HA LYS A 17 16.256 47.150 67.039 1.00 40.53 H new ATOM 0 HB2 LYS A 17 15.653 45.947 69.767 1.00 5.00 H new ATOM 0 HB3 LYS A 17 16.343 45.124 68.382 1.00 5.00 H new ATOM 0 HG2 LYS A 17 18.394 46.422 68.550 1.00 63.23 H new ATOM 0 HG3 LYS A 17 17.704 47.441 69.798 1.00 63.23 H new ATOM 0 HD2 LYS A 17 18.112 45.922 71.436 1.00 2.50 H new ATOM 0 HD3 LYS A 17 17.532 44.581 70.468 1.00 2.50 H new ATOM 0 HE2 LYS A 17 19.630 44.227 69.448 1.00 33.33 H new ATOM 0 HE3 LYS A 17 20.187 45.853 69.791 1.00 33.33 H new ATOM 0 HZ1 LYS A 17 21.253 44.240 71.228 1.00 11.24 H new ATOM 0 HZ2 LYS A 17 20.289 45.290 72.150 1.00 11.24 H new ATOM 0 HZ3 LYS A 17 19.750 43.715 71.817 1.00 11.24 H new ATOM 270 N TRP A 18 14.041 45.608 67.079 1.00 61.25 N ATOM 271 CA TRP A 18 12.699 45.152 66.734 1.00 52.34 C ATOM 272 C TRP A 18 11.773 45.226 67.943 1.00 5.35 C ATOM 273 O TRP A 18 12.199 45.573 69.045 1.00 34.33 O ATOM 274 CB TRP A 18 12.748 43.720 66.198 1.00 35.34 C ATOM 275 CG TRP A 18 13.807 43.510 65.159 1.00 50.23 C ATOM 276 CD1 TRP A 18 15.147 43.354 65.376 1.00 0.03 C ATOM 277 CD2 TRP A 18 13.616 43.435 63.743 1.00 23.31 C ATOM 278 NE1 TRP A 18 15.800 43.186 64.178 1.00 33.34 N ATOM 279 CE2 TRP A 18 14.883 43.232 63.161 1.00 11.04 C ATOM 280 CE3 TRP A 18 12.497 43.518 62.909 1.00 61.13 C ATOM 281 CZ2 TRP A 18 15.060 43.112 61.785 1.00 13.13 C ATOM 282 CZ3 TRP A 18 12.675 43.400 61.544 1.00 23.54 C ATOM 283 CH2 TRP A 18 13.947 43.196 60.993 1.00 73.35 C ATOM 0 H TRP A 18 14.785 44.956 66.830 1.00 61.25 H new ATOM 0 HA TRP A 18 12.305 45.809 65.958 1.00 52.34 H new ATOM 0 HB2 TRP A 18 12.922 43.035 67.028 1.00 35.34 H new ATOM 0 HB3 TRP A 18 11.777 43.465 65.773 1.00 35.34 H new ATOM 0 HD1 TRP A 18 15.623 43.362 66.345 1.00 0.03 H new ATOM 0 HE1 TRP A 18 16.804 43.049 64.065 1.00 33.34 H new ATOM 0 HE3 TRP A 18 11.512 43.671 63.324 1.00 61.13 H new ATOM 0 HZ2 TRP A 18 16.040 42.958 61.358 1.00 13.13 H new ATOM 0 HZ3 TRP A 18 11.818 43.466 60.890 1.00 23.54 H new ATOM 0 HH2 TRP A 18 14.051 43.103 59.922 1.00 73.35 H new ATOM 294 N LEU A 19 10.503 44.895 67.730 1.00 44.52 N ATOM 295 CA LEU A 19 9.516 44.923 68.803 1.00 12.42 C ATOM 296 C LEU A 19 9.986 44.100 69.998 1.00 71.22 C ATOM 297 O LEU A 19 9.658 44.407 71.144 1.00 31.24 O ATOM 298 CB LEU A 19 8.173 44.391 68.300 1.00 20.24 C ATOM 299 CG LEU A 19 7.013 44.446 69.296 1.00 41.11 C ATOM 300 CD1 LEU A 19 5.745 44.935 68.612 1.00 62.15 C ATOM 301 CD2 LEU A 19 6.787 43.081 69.928 1.00 42.50 C ATOM 0 H LEU A 19 10.134 44.605 66.825 1.00 44.52 H new ATOM 0 HA LEU A 19 9.394 45.958 69.124 1.00 12.42 H new ATOM 0 HB2 LEU A 19 7.890 44.957 67.412 1.00 20.24 H new ATOM 0 HB3 LEU A 19 8.309 43.355 67.988 1.00 20.24 H new ATOM 0 HG LEU A 19 7.271 45.151 70.086 1.00 41.11 H new ATOM 0 HD11 LEU A 19 4.931 44.968 69.336 1.00 62.15 H new ATOM 0 HD12 LEU A 19 5.912 45.933 68.208 1.00 62.15 H new ATOM 0 HD13 LEU A 19 5.483 44.255 67.802 1.00 62.15 H new ATOM 0 HD21 LEU A 19 5.958 43.139 70.634 1.00 42.50 H new ATOM 0 HD22 LEU A 19 6.551 42.355 69.150 1.00 42.50 H new ATOM 0 HD23 LEU A 19 7.690 42.769 70.454 1.00 42.50 H new ATOM 313 N ASP A 20 10.759 43.055 69.723 1.00 74.41 N ATOM 314 CA ASP A 20 11.278 42.190 70.775 1.00 3.53 C ATOM 315 C ASP A 20 12.068 42.996 71.801 1.00 15.44 C ATOM 316 O ASP A 20 12.843 43.883 71.446 1.00 11.31 O ATOM 317 CB ASP A 20 12.164 41.096 70.176 1.00 73.32 C ATOM 318 CG ASP A 20 13.138 40.522 71.185 1.00 50.43 C ATOM 319 OD1 ASP A 20 12.750 39.588 71.918 1.00 54.44 O ATOM 320 OD2 ASP A 20 14.288 41.005 71.242 1.00 35.34 O ATOM 0 H ASP A 20 11.040 42.787 68.780 1.00 74.41 H new ATOM 0 HA ASP A 20 10.431 41.725 71.279 1.00 3.53 H new ATOM 0 HB2 ASP A 20 11.535 40.296 69.787 1.00 73.32 H new ATOM 0 HB3 ASP A 20 12.719 41.504 69.331 1.00 73.32 H new ATOM 325 N GLY A 21 11.864 42.682 73.077 1.00 53.13 N ATOM 326 CA GLY A 21 12.563 43.388 74.136 1.00 5.21 C ATOM 327 C GLY A 21 14.005 43.687 73.779 1.00 23.32 C ATOM 328 O GLY A 21 14.591 43.022 72.924 1.00 44.52 O ATOM 0 H GLY A 21 11.228 41.952 73.396 1.00 53.13 H new ATOM 0 HA2 GLY A 21 12.044 44.322 74.350 1.00 5.21 H new ATOM 0 HA3 GLY A 21 12.534 42.791 75.047 1.00 5.21 H new ATOM 332 N LEU A 22 14.579 44.691 74.433 1.00 2.11 N ATOM 333 CA LEU A 22 15.962 45.079 74.179 1.00 43.33 C ATOM 334 C LEU A 22 16.851 44.734 75.369 1.00 44.13 C ATOM 335 O LEU A 22 16.766 45.363 76.423 1.00 44.05 O ATOM 336 CB LEU A 22 16.046 46.576 73.882 1.00 61.33 C ATOM 337 CG LEU A 22 15.633 47.006 72.473 1.00 14.22 C ATOM 338 CD1 LEU A 22 14.179 46.644 72.211 1.00 32.35 C ATOM 339 CD2 LEU A 22 15.854 48.500 72.285 1.00 51.52 C ATOM 0 H LEU A 22 14.108 45.251 75.143 1.00 2.11 H new ATOM 0 HA LEU A 22 16.316 44.523 73.311 1.00 43.33 H new ATOM 0 HB2 LEU A 22 15.418 47.104 74.600 1.00 61.33 H new ATOM 0 HB3 LEU A 22 17.071 46.903 74.054 1.00 61.33 H new ATOM 0 HG LEU A 22 16.255 46.474 71.754 1.00 14.22 H new ATOM 0 HD11 LEU A 22 13.902 46.957 71.204 1.00 32.35 H new ATOM 0 HD12 LEU A 22 14.050 45.566 72.304 1.00 32.35 H new ATOM 0 HD13 LEU A 22 13.542 47.150 72.937 1.00 32.35 H new ATOM 0 HD21 LEU A 22 15.555 48.788 71.277 1.00 51.52 H new ATOM 0 HD22 LEU A 22 15.257 49.050 73.012 1.00 51.52 H new ATOM 0 HD23 LEU A 22 16.909 48.733 72.431 1.00 51.52 H new ATOM 351 N ARG A 23 17.706 43.731 75.191 1.00 12.12 N ATOM 352 CA ARG A 23 18.612 43.303 76.251 1.00 24.31 C ATOM 353 C ARG A 23 19.605 44.409 76.596 1.00 23.42 C ATOM 354 O ARG A 23 20.162 44.436 77.692 1.00 54.25 O ATOM 355 CB ARG A 23 19.365 42.041 75.826 1.00 52.51 C ATOM 356 CG ARG A 23 20.273 42.247 74.626 1.00 70.24 C ATOM 357 CD ARG A 23 20.601 40.929 73.942 1.00 12.12 C ATOM 358 NE ARG A 23 20.642 41.063 72.488 1.00 10.40 N ATOM 359 CZ ARG A 23 21.687 41.540 71.822 1.00 53.20 C ATOM 360 NH1 ARG A 23 22.773 41.929 72.477 1.00 14.33 N ATOM 361 NH2 ARG A 23 21.648 41.631 70.500 1.00 3.23 N ATOM 0 H ARG A 23 17.790 43.200 74.324 1.00 12.12 H new ATOM 0 HA ARG A 23 18.018 43.083 77.138 1.00 24.31 H new ATOM 0 HB2 ARG A 23 19.962 41.685 76.665 1.00 52.51 H new ATOM 0 HB3 ARG A 23 18.643 41.258 75.594 1.00 52.51 H new ATOM 0 HG2 ARG A 23 19.791 42.917 73.914 1.00 70.24 H new ATOM 0 HG3 ARG A 23 21.196 42.732 74.946 1.00 70.24 H new ATOM 0 HD2 ARG A 23 21.564 40.565 74.300 1.00 12.12 H new ATOM 0 HD3 ARG A 23 19.856 40.183 74.217 1.00 12.12 H new ATOM 0 HE ARG A 23 19.822 40.774 71.955 1.00 10.40 H new ATOM 0 HH11 ARG A 23 22.806 41.862 73.494 1.00 14.33 H new ATOM 0 HH12 ARG A 23 23.575 42.295 71.963 1.00 14.33 H new ATOM 0 HH21 ARG A 23 20.814 41.334 69.993 1.00 3.23 H new ATOM 0 HH22 ARG A 23 22.452 41.998 69.990 1.00 3.23 H new ATOM 375 N ALA A 24 19.821 45.319 75.651 1.00 41.22 N ATOM 376 CA ALA A 24 20.746 46.427 75.856 1.00 50.14 C ATOM 377 C ALA A 24 20.392 47.211 77.116 1.00 21.42 C ATOM 378 O ALA A 24 21.192 47.305 78.046 1.00 2.22 O ATOM 379 CB ALA A 24 20.746 47.346 74.644 1.00 22.33 C ATOM 0 H ALA A 24 19.368 45.311 74.737 1.00 41.22 H new ATOM 0 HA ALA A 24 21.746 46.014 75.985 1.00 50.14 H new ATOM 0 HB1 ALA A 24 21.441 48.169 74.811 1.00 22.33 H new ATOM 0 HB2 ALA A 24 21.054 46.785 73.762 1.00 22.33 H new ATOM 0 HB3 ALA A 24 19.743 47.744 74.489 1.00 22.33 H new ATOM 385 N GLY A 25 19.188 47.775 77.138 1.00 50.41 N ATOM 386 CA GLY A 25 18.750 48.545 78.288 1.00 44.11 C ATOM 387 C GLY A 25 17.263 48.410 78.543 1.00 11.32 C ATOM 388 O GLY A 25 16.847 47.985 79.622 1.00 33.32 O ATOM 0 H GLY A 25 18.508 47.712 76.380 1.00 50.41 H new ATOM 0 HA2 GLY A 25 19.298 48.217 79.171 1.00 44.11 H new ATOM 0 HA3 GLY A 25 18.995 49.596 78.133 1.00 44.11 H new ATOM 392 N SER A 26 16.458 48.774 77.550 1.00 12.55 N ATOM 393 CA SER A 26 15.006 48.697 77.674 1.00 3.50 C ATOM 394 C SER A 26 14.508 49.611 78.790 1.00 22.24 C ATOM 395 O SER A 26 13.711 49.201 79.632 1.00 14.43 O ATOM 396 CB SER A 26 14.573 47.255 77.948 1.00 52.24 C ATOM 397 OG SER A 26 13.179 47.095 77.748 1.00 54.14 O ATOM 0 H SER A 26 16.786 49.125 76.650 1.00 12.55 H new ATOM 0 HA SER A 26 14.566 49.028 76.733 1.00 3.50 H new ATOM 0 HB2 SER A 26 15.118 46.577 77.291 1.00 52.24 H new ATOM 0 HB3 SER A 26 14.830 46.983 78.972 1.00 52.24 H new ATOM 0 HG SER A 26 12.692 47.731 78.313 1.00 54.14 H new ATOM 403 N MET A 27 14.983 50.851 78.787 1.00 43.44 N ATOM 404 CA MET A 27 14.586 51.824 79.797 1.00 74.22 C ATOM 405 C MET A 27 13.215 52.412 79.476 1.00 52.01 C ATOM 406 O MET A 27 12.750 53.330 80.150 1.00 23.24 O ATOM 407 CB MET A 27 15.623 52.944 79.894 1.00 44.05 C ATOM 408 CG MET A 27 17.033 52.445 80.165 1.00 4.43 C ATOM 409 SD MET A 27 18.292 53.674 79.777 1.00 62.45 S ATOM 410 CE MET A 27 18.224 53.676 77.986 1.00 12.15 C ATOM 0 H MET A 27 15.644 51.206 78.096 1.00 43.44 H new ATOM 0 HA MET A 27 14.527 51.310 80.756 1.00 74.22 H new ATOM 0 HB2 MET A 27 15.620 53.512 78.964 1.00 44.05 H new ATOM 0 HB3 MET A 27 15.331 53.631 80.688 1.00 44.05 H new ATOM 0 HG2 MET A 27 17.118 52.162 81.214 1.00 4.43 H new ATOM 0 HG3 MET A 27 17.215 51.546 79.576 1.00 4.43 H new ATOM 0 HE1 MET A 27 19.155 54.078 77.587 1.00 12.15 H new ATOM 0 HE2 MET A 27 18.085 52.657 77.626 1.00 12.15 H new ATOM 0 HE3 MET A 27 17.390 54.295 77.654 1.00 12.15 H new ATOM 420 N ALA A 28 12.574 51.876 78.442 1.00 32.14 N ATOM 421 CA ALA A 28 11.256 52.346 78.034 1.00 63.42 C ATOM 422 C ALA A 28 10.309 51.177 77.786 1.00 62.41 C ATOM 423 O ALA A 28 10.419 50.478 76.777 1.00 53.44 O ATOM 424 CB ALA A 28 11.368 53.211 76.787 1.00 12.23 C ATOM 0 H ALA A 28 12.946 51.116 77.872 1.00 32.14 H new ATOM 0 HA ALA A 28 10.844 52.947 78.845 1.00 63.42 H new ATOM 0 HB1 ALA A 28 10.377 53.555 76.493 1.00 12.23 H new ATOM 0 HB2 ALA A 28 12.004 54.071 76.997 1.00 12.23 H new ATOM 0 HB3 ALA A 28 11.804 52.627 75.977 1.00 12.23 H new ATOM 430 N LEU A 29 9.378 50.969 78.711 1.00 61.23 N ATOM 431 CA LEU A 29 8.411 49.884 78.593 1.00 23.22 C ATOM 432 C LEU A 29 7.447 50.137 77.438 1.00 35.13 C ATOM 433 O LEU A 29 7.082 49.215 76.709 1.00 45.22 O ATOM 434 CB LEU A 29 7.630 49.726 79.899 1.00 63.41 C ATOM 435 CG LEU A 29 7.073 48.331 80.183 1.00 2.32 C ATOM 436 CD1 LEU A 29 8.201 47.352 80.467 1.00 51.33 C ATOM 437 CD2 LEU A 29 6.095 48.374 81.349 1.00 61.43 C ATOM 0 H LEU A 29 9.273 51.538 79.551 1.00 61.23 H new ATOM 0 HA LEU A 29 8.958 48.963 78.390 1.00 23.22 H new ATOM 0 HB2 LEU A 29 8.282 50.010 80.725 1.00 63.41 H new ATOM 0 HB3 LEU A 29 6.800 50.432 79.890 1.00 63.41 H new ATOM 0 HG LEU A 29 6.537 47.988 79.298 1.00 2.32 H new ATOM 0 HD11 LEU A 29 7.784 46.365 80.667 1.00 51.33 H new ATOM 0 HD12 LEU A 29 8.863 47.298 79.602 1.00 51.33 H new ATOM 0 HD13 LEU A 29 8.766 47.690 81.336 1.00 51.33 H new ATOM 0 HD21 LEU A 29 5.709 47.372 81.537 1.00 61.43 H new ATOM 0 HD22 LEU A 29 6.607 48.739 82.240 1.00 61.43 H new ATOM 0 HD23 LEU A 29 5.269 49.042 81.106 1.00 61.43 H new ATOM 449 N GLN A 30 7.040 51.392 77.278 1.00 24.20 N ATOM 450 CA GLN A 30 6.119 51.766 76.211 1.00 24.23 C ATOM 451 C GLN A 30 6.879 52.268 74.987 1.00 2.11 C ATOM 452 O GLN A 30 6.278 52.645 73.982 1.00 33.22 O ATOM 453 CB GLN A 30 5.148 52.842 76.699 1.00 13.42 C ATOM 454 CG GLN A 30 5.834 54.123 77.145 1.00 23.43 C ATOM 455 CD GLN A 30 5.272 54.664 78.446 1.00 4.32 C ATOM 456 OE1 GLN A 30 4.107 54.439 78.773 1.00 3.10 O ATOM 457 NE2 GLN A 30 6.101 55.380 79.195 1.00 73.15 N ATOM 0 H GLN A 30 7.333 52.167 77.873 1.00 24.20 H new ATOM 0 HA GLN A 30 5.553 50.879 75.927 1.00 24.23 H new ATOM 0 HB2 GLN A 30 4.445 53.075 75.899 1.00 13.42 H new ATOM 0 HB3 GLN A 30 4.565 52.444 77.529 1.00 13.42 H new ATOM 0 HG2 GLN A 30 6.901 53.936 77.264 1.00 23.43 H new ATOM 0 HG3 GLN A 30 5.728 54.878 76.366 1.00 23.43 H new ATOM 0 HE21 GLN A 30 7.059 55.541 78.884 1.00 73.15 H new ATOM 0 HE22 GLN A 30 5.780 55.769 80.082 1.00 73.15 H new ATOM 466 N GLY A 31 8.205 52.271 75.081 1.00 64.31 N ATOM 467 CA GLY A 31 9.026 52.730 73.974 1.00 2.44 C ATOM 468 C GLY A 31 8.610 52.118 72.651 1.00 53.21 C ATOM 469 O GLY A 31 8.921 52.653 71.587 1.00 71.15 O ATOM 0 H GLY A 31 8.726 51.964 75.903 1.00 64.31 H new ATOM 0 HA2 GLY A 31 8.962 53.816 73.904 1.00 2.44 H new ATOM 0 HA3 GLY A 31 10.069 52.484 74.173 1.00 2.44 H new ATOM 473 N ASP A 32 7.905 50.994 72.717 1.00 5.23 N ATOM 474 CA ASP A 32 7.446 50.308 71.514 1.00 62.33 C ATOM 475 C ASP A 32 6.412 51.148 70.771 1.00 32.12 C ATOM 476 O ASP A 32 6.588 51.472 69.596 1.00 14.54 O ATOM 477 CB ASP A 32 6.852 48.946 71.874 1.00 21.05 C ATOM 478 CG ASP A 32 7.918 47.901 72.139 1.00 24.32 C ATOM 479 OD1 ASP A 32 9.047 48.062 71.629 1.00 75.00 O ATOM 480 OD2 ASP A 32 7.624 46.922 72.856 1.00 12.25 O ATOM 0 H ASP A 32 7.639 50.539 73.590 1.00 5.23 H new ATOM 0 HA ASP A 32 8.305 50.159 70.859 1.00 62.33 H new ATOM 0 HB2 ASP A 32 6.222 49.050 72.757 1.00 21.05 H new ATOM 0 HB3 ASP A 32 6.209 48.607 71.062 1.00 21.05 H new ATOM 485 N VAL A 33 5.332 51.497 71.463 1.00 51.31 N ATOM 486 CA VAL A 33 4.269 52.299 70.869 1.00 41.45 C ATOM 487 C VAL A 33 4.634 53.779 70.868 1.00 24.14 C ATOM 488 O VAL A 33 4.267 54.519 69.954 1.00 24.21 O ATOM 489 CB VAL A 33 2.938 52.110 71.621 1.00 63.31 C ATOM 490 CG1 VAL A 33 2.400 50.703 71.410 1.00 40.12 C ATOM 491 CG2 VAL A 33 3.116 52.406 73.102 1.00 34.50 C ATOM 0 H VAL A 33 5.170 51.237 72.436 1.00 51.31 H new ATOM 0 HA VAL A 33 4.149 51.957 69.841 1.00 41.45 H new ATOM 0 HB VAL A 33 2.210 52.815 71.219 1.00 63.31 H new ATOM 0 HG11 VAL A 33 1.459 50.589 71.949 1.00 40.12 H new ATOM 0 HG12 VAL A 33 2.232 50.533 70.346 1.00 40.12 H new ATOM 0 HG13 VAL A 33 3.123 49.977 71.783 1.00 40.12 H new ATOM 0 HG21 VAL A 33 2.166 52.267 73.618 1.00 34.50 H new ATOM 0 HG22 VAL A 33 3.859 51.728 73.522 1.00 34.50 H new ATOM 0 HG23 VAL A 33 3.451 53.435 73.230 1.00 34.50 H new ATOM 501 N LYS A 34 5.359 54.206 71.896 1.00 25.32 N ATOM 502 CA LYS A 34 5.776 55.598 72.013 1.00 63.33 C ATOM 503 C LYS A 34 6.400 56.091 70.711 1.00 2.23 C ATOM 504 O LYS A 34 6.158 57.220 70.283 1.00 1.23 O ATOM 505 CB LYS A 34 6.775 55.757 73.161 1.00 72.15 C ATOM 506 CG LYS A 34 7.608 57.024 73.071 1.00 44.15 C ATOM 507 CD LYS A 34 8.593 57.128 74.224 1.00 22.05 C ATOM 508 CE LYS A 34 9.479 58.357 74.093 1.00 25.22 C ATOM 509 NZ LYS A 34 10.415 58.491 75.242 1.00 75.53 N ATOM 0 H LYS A 34 5.670 53.607 72.661 1.00 25.32 H new ATOM 0 HA LYS A 34 4.891 56.200 72.222 1.00 63.33 H new ATOM 0 HB2 LYS A 34 6.233 55.755 74.106 1.00 72.15 H new ATOM 0 HB3 LYS A 34 7.441 54.894 73.174 1.00 72.15 H new ATOM 0 HG2 LYS A 34 8.151 57.037 72.126 1.00 44.15 H new ATOM 0 HG3 LYS A 34 6.951 57.893 73.073 1.00 44.15 H new ATOM 0 HD2 LYS A 34 8.048 57.171 75.167 1.00 22.05 H new ATOM 0 HD3 LYS A 34 9.214 56.233 74.255 1.00 22.05 H new ATOM 0 HE2 LYS A 34 10.049 58.297 73.166 1.00 25.22 H new ATOM 0 HE3 LYS A 34 8.856 59.249 74.027 1.00 25.22 H new ATOM 0 HZ1 LYS A 34 11.001 59.341 75.115 1.00 75.53 H new ATOM 0 HZ2 LYS A 34 9.871 58.574 76.125 1.00 75.53 H new ATOM 0 HZ3 LYS A 34 11.028 57.652 75.290 1.00 75.53 H new ATOM 523 N VAL A 35 7.202 55.237 70.083 1.00 13.33 N ATOM 524 CA VAL A 35 7.858 55.584 68.829 1.00 43.32 C ATOM 525 C VAL A 35 6.995 55.200 67.632 1.00 73.23 C ATOM 526 O VAL A 35 7.076 55.820 66.572 1.00 2.15 O ATOM 527 CB VAL A 35 9.229 54.893 68.701 1.00 55.22 C ATOM 528 CG1 VAL A 35 10.063 55.128 69.952 1.00 4.02 C ATOM 529 CG2 VAL A 35 9.052 53.406 68.439 1.00 1.31 C ATOM 0 H VAL A 35 7.413 54.299 70.423 1.00 13.33 H new ATOM 0 HA VAL A 35 8.003 56.664 68.838 1.00 43.32 H new ATOM 0 HB VAL A 35 9.759 55.327 67.853 1.00 55.22 H new ATOM 0 HG11 VAL A 35 11.028 54.633 69.844 1.00 4.02 H new ATOM 0 HG12 VAL A 35 10.218 56.198 70.091 1.00 4.02 H new ATOM 0 HG13 VAL A 35 9.542 54.722 70.819 1.00 4.02 H new ATOM 0 HG21 VAL A 35 10.030 52.933 68.351 1.00 1.31 H new ATOM 0 HG22 VAL A 35 8.503 52.954 69.265 1.00 1.31 H new ATOM 0 HG23 VAL A 35 8.496 53.263 67.513 1.00 1.31 H new ATOM 539 N TRP A 36 6.168 54.176 67.811 1.00 20.11 N ATOM 540 CA TRP A 36 5.288 53.709 66.746 1.00 51.12 C ATOM 541 C TRP A 36 4.634 54.883 66.026 1.00 53.02 C ATOM 542 O TRP A 36 4.245 54.771 64.864 1.00 74.12 O ATOM 543 CB TRP A 36 4.214 52.781 67.314 1.00 22.21 C ATOM 544 CG TRP A 36 3.062 52.564 66.380 1.00 24.24 C ATOM 545 CD1 TRP A 36 2.791 51.435 65.661 1.00 1.42 C ATOM 546 CD2 TRP A 36 2.028 53.501 66.063 1.00 2.23 C ATOM 547 NE1 TRP A 36 1.651 51.613 64.916 1.00 32.23 N ATOM 548 CE2 TRP A 36 1.162 52.872 65.145 1.00 43.12 C ATOM 549 CE3 TRP A 36 1.746 54.810 66.466 1.00 4.13 C ATOM 550 CZ2 TRP A 36 0.039 53.510 64.626 1.00 31.04 C ATOM 551 CZ3 TRP A 36 0.631 55.440 65.949 1.00 23.32 C ATOM 552 CH2 TRP A 36 -0.212 54.790 65.038 1.00 24.42 C ATOM 0 H TRP A 36 6.089 53.653 68.683 1.00 20.11 H new ATOM 0 HA TRP A 36 5.892 53.156 66.026 1.00 51.12 H new ATOM 0 HB2 TRP A 36 4.665 51.818 67.553 1.00 22.21 H new ATOM 0 HB3 TRP A 36 3.841 53.199 68.249 1.00 22.21 H new ATOM 0 HD1 TRP A 36 3.386 50.534 65.676 1.00 1.42 H new ATOM 0 HE1 TRP A 36 1.236 50.920 64.293 1.00 32.23 H new ATOM 0 HE3 TRP A 36 2.389 55.319 67.169 1.00 4.13 H new ATOM 0 HZ2 TRP A 36 -0.612 53.012 63.922 1.00 31.04 H new ATOM 0 HZ3 TRP A 36 0.405 56.452 66.252 1.00 23.32 H new ATOM 0 HH2 TRP A 36 -1.077 55.310 64.653 1.00 24.42 H new ATOM 563 N MET A 37 4.517 56.009 66.724 1.00 40.53 N ATOM 564 CA MET A 37 3.911 57.204 66.149 1.00 11.32 C ATOM 565 C MET A 37 4.934 57.997 65.342 1.00 75.45 C ATOM 566 O MET A 37 4.640 58.466 64.244 1.00 60.44 O ATOM 567 CB MET A 37 3.321 58.084 67.253 1.00 52.10 C ATOM 568 CG MET A 37 4.329 58.477 68.321 1.00 14.31 C ATOM 569 SD MET A 37 3.637 58.421 69.985 1.00 34.14 S ATOM 570 CE MET A 37 2.899 56.789 69.990 1.00 2.42 C ATOM 0 H MET A 37 4.834 56.118 67.687 1.00 40.53 H new ATOM 0 HA MET A 37 3.111 56.890 65.479 1.00 11.32 H new ATOM 0 HB2 MET A 37 2.908 58.988 66.804 1.00 52.10 H new ATOM 0 HB3 MET A 37 2.492 57.555 67.724 1.00 52.10 H new ATOM 0 HG2 MET A 37 5.189 57.809 68.267 1.00 14.31 H new ATOM 0 HG3 MET A 37 4.694 59.484 68.117 1.00 14.31 H new ATOM 0 HE1 MET A 37 3.085 56.309 70.951 1.00 2.42 H new ATOM 0 HE2 MET A 37 1.824 56.875 69.829 1.00 2.42 H new ATOM 0 HE3 MET A 37 3.338 56.189 69.193 1.00 2.42 H new ATOM 580 N GLN A 38 6.133 58.144 65.897 1.00 65.55 N ATOM 581 CA GLN A 38 7.197 58.882 65.227 1.00 63.25 C ATOM 582 C GLN A 38 7.664 58.149 63.974 1.00 44.53 C ATOM 583 O GLN A 38 8.046 58.772 62.985 1.00 40.02 O ATOM 584 CB GLN A 38 8.377 59.093 66.179 1.00 40.00 C ATOM 585 CG GLN A 38 9.279 57.876 66.307 1.00 63.44 C ATOM 586 CD GLN A 38 10.624 58.210 66.923 1.00 12.14 C ATOM 587 OE1 GLN A 38 10.839 58.009 68.119 1.00 1.04 O ATOM 588 NE2 GLN A 38 11.539 58.721 66.108 1.00 64.21 N ATOM 0 H GLN A 38 6.391 57.763 66.807 1.00 65.55 H new ATOM 0 HA GLN A 38 6.800 59.853 64.930 1.00 63.25 H new ATOM 0 HB2 GLN A 38 8.969 59.939 65.829 1.00 40.00 H new ATOM 0 HB3 GLN A 38 7.995 59.357 67.165 1.00 40.00 H new ATOM 0 HG2 GLN A 38 8.781 57.122 66.917 1.00 63.44 H new ATOM 0 HG3 GLN A 38 9.434 57.438 65.321 1.00 63.44 H new ATOM 0 HE21 GLN A 38 11.318 58.871 65.124 1.00 64.21 H new ATOM 0 HE22 GLN A 38 12.463 58.964 66.466 1.00 64.21 H new ATOM 597 N ASN A 39 7.632 56.821 64.025 1.00 31.52 N ATOM 598 CA ASN A 39 8.053 56.002 62.894 1.00 24.52 C ATOM 599 C ASN A 39 7.229 56.327 61.651 1.00 2.44 C ATOM 600 O ASN A 39 7.752 56.359 60.537 1.00 0.14 O ATOM 601 CB ASN A 39 7.920 54.517 63.235 1.00 30.42 C ATOM 602 CG ASN A 39 9.262 53.859 63.484 1.00 2.40 C ATOM 603 OD1 ASN A 39 10.286 54.534 63.601 1.00 12.34 O ATOM 604 ND2 ASN A 39 9.266 52.533 63.567 1.00 34.24 N ATOM 0 H ASN A 39 7.319 56.289 64.837 1.00 31.52 H new ATOM 0 HA ASN A 39 9.099 56.226 62.684 1.00 24.52 H new ATOM 0 HB2 ASN A 39 7.294 54.405 64.120 1.00 30.42 H new ATOM 0 HB3 ASN A 39 7.413 54.004 62.418 1.00 30.42 H new ATOM 0 HD21 ASN A 39 10.140 52.035 63.734 1.00 34.24 H new ATOM 0 HD22 ASN A 39 8.395 52.013 63.464 1.00 34.24 H new ATOM 611 N LEU A 40 5.937 56.566 61.851 1.00 61.23 N ATOM 612 CA LEU A 40 5.039 56.889 60.747 1.00 44.54 C ATOM 613 C LEU A 40 5.139 58.365 60.378 1.00 25.41 C ATOM 614 O LEU A 40 5.380 58.710 59.221 1.00 10.14 O ATOM 615 CB LEU A 40 3.597 56.540 61.119 1.00 1.24 C ATOM 616 CG LEU A 40 3.421 55.528 62.251 1.00 61.02 C ATOM 617 CD1 LEU A 40 2.008 54.967 62.252 1.00 4.41 C ATOM 618 CD2 LEU A 40 4.443 54.407 62.128 1.00 3.43 C ATOM 0 H LEU A 40 5.488 56.542 62.767 1.00 61.23 H new ATOM 0 HA LEU A 40 5.338 56.297 59.882 1.00 44.54 H new ATOM 0 HB2 LEU A 40 3.082 57.460 61.398 1.00 1.24 H new ATOM 0 HB3 LEU A 40 3.098 56.152 60.231 1.00 1.24 H new ATOM 0 HG LEU A 40 3.586 56.040 63.199 1.00 61.02 H new ATOM 0 HD11 LEU A 40 1.902 54.249 63.065 1.00 4.41 H new ATOM 0 HD12 LEU A 40 1.294 55.779 62.390 1.00 4.41 H new ATOM 0 HD13 LEU A 40 1.813 54.471 61.301 1.00 4.41 H new ATOM 0 HD21 LEU A 40 4.303 53.696 62.942 1.00 3.43 H new ATOM 0 HD22 LEU A 40 4.311 53.897 61.174 1.00 3.43 H new ATOM 0 HD23 LEU A 40 5.449 54.824 62.180 1.00 3.43 H new ATOM 630 N GLU A 41 4.955 59.231 61.369 1.00 73.34 N ATOM 631 CA GLU A 41 5.025 60.671 61.147 1.00 1.21 C ATOM 632 C GLU A 41 6.229 61.030 60.281 1.00 1.30 C ATOM 633 O GLU A 41 6.174 61.959 59.477 1.00 72.41 O ATOM 634 CB GLU A 41 5.105 61.412 62.484 1.00 22.41 C ATOM 635 CG GLU A 41 4.350 62.730 62.495 1.00 71.21 C ATOM 636 CD GLU A 41 4.451 63.448 63.826 1.00 75.31 C ATOM 637 OE1 GLU A 41 4.227 62.801 64.870 1.00 45.24 O ATOM 638 OE2 GLU A 41 4.754 64.661 63.824 1.00 34.13 O ATOM 0 H GLU A 41 4.757 58.961 62.333 1.00 73.34 H new ATOM 0 HA GLU A 41 4.119 60.977 60.624 1.00 1.21 H new ATOM 0 HB2 GLU A 41 4.709 60.769 63.270 1.00 22.41 H new ATOM 0 HB3 GLU A 41 6.152 61.600 62.723 1.00 22.41 H new ATOM 0 HG2 GLU A 41 4.741 63.375 61.708 1.00 71.21 H new ATOM 0 HG3 GLU A 41 3.301 62.545 62.265 1.00 71.21 H new ATOM 645 N ASP A 42 7.317 60.286 60.453 1.00 72.10 N ATOM 646 CA ASP A 42 8.535 60.524 59.688 1.00 71.03 C ATOM 647 C ASP A 42 8.462 59.843 58.325 1.00 10.42 C ATOM 648 O ASP A 42 9.067 60.304 57.356 1.00 22.53 O ATOM 649 CB ASP A 42 9.755 60.019 60.460 1.00 74.42 C ATOM 650 CG ASP A 42 10.997 60.843 60.185 1.00 60.55 C ATOM 651 OD1 ASP A 42 11.032 62.020 60.600 1.00 71.42 O ATOM 652 OD2 ASP A 42 11.934 60.311 59.554 1.00 74.41 O ATOM 0 H ASP A 42 7.380 59.513 61.116 1.00 72.10 H new ATOM 0 HA ASP A 42 8.633 61.598 59.533 1.00 71.03 H new ATOM 0 HB2 ASP A 42 9.539 60.039 61.528 1.00 74.42 H new ATOM 0 HB3 ASP A 42 9.946 58.980 60.193 1.00 74.42 H new ATOM 657 N LEU A 43 7.720 58.743 58.258 1.00 41.35 N ATOM 658 CA LEU A 43 7.569 57.997 57.013 1.00 72.15 C ATOM 659 C LEU A 43 6.428 58.563 56.174 1.00 52.43 C ATOM 660 O LEU A 43 6.636 59.007 55.043 1.00 54.52 O ATOM 661 CB LEU A 43 7.314 56.519 57.310 1.00 4.40 C ATOM 662 CG LEU A 43 7.510 55.555 56.139 1.00 44.41 C ATOM 663 CD1 LEU A 43 6.631 55.955 54.965 1.00 71.42 C ATOM 664 CD2 LEU A 43 8.973 55.515 55.722 1.00 4.23 C ATOM 0 H LEU A 43 7.214 58.348 59.050 1.00 41.35 H new ATOM 0 HA LEU A 43 8.495 58.093 56.446 1.00 72.15 H new ATOM 0 HB2 LEU A 43 7.975 56.213 58.121 1.00 4.40 H new ATOM 0 HB3 LEU A 43 6.292 56.413 57.674 1.00 4.40 H new ATOM 0 HG LEU A 43 7.216 54.556 56.462 1.00 44.41 H new ATOM 0 HD11 LEU A 43 6.784 55.258 54.141 1.00 71.42 H new ATOM 0 HD12 LEU A 43 5.585 55.933 55.270 1.00 71.42 H new ATOM 0 HD13 LEU A 43 6.893 56.962 54.641 1.00 71.42 H new ATOM 0 HD21 LEU A 43 9.095 54.824 54.888 1.00 4.23 H new ATOM 0 HD22 LEU A 43 9.292 56.512 55.417 1.00 4.23 H new ATOM 0 HD23 LEU A 43 9.582 55.180 56.562 1.00 4.23 H new ATOM 676 N HIS A 44 5.223 58.547 56.735 1.00 70.34 N ATOM 677 CA HIS A 44 4.049 59.062 56.039 1.00 11.32 C ATOM 678 C HIS A 44 4.371 60.373 55.329 1.00 32.44 C ATOM 679 O HIS A 44 4.002 60.571 54.170 1.00 53.12 O ATOM 680 CB HIS A 44 2.897 59.270 57.023 1.00 4.11 C ATOM 681 CG HIS A 44 1.909 60.303 56.577 1.00 53.31 C ATOM 682 ND1 HIS A 44 2.081 61.654 56.796 1.00 41.02 N ATOM 683 CD2 HIS A 44 0.732 60.178 55.921 1.00 4.53 C ATOM 684 CE1 HIS A 44 1.053 62.313 56.295 1.00 73.10 C ATOM 685 NE2 HIS A 44 0.219 61.441 55.758 1.00 64.40 N ATOM 0 H HIS A 44 5.034 58.183 57.669 1.00 70.34 H new ATOM 0 HA HIS A 44 3.749 58.328 55.291 1.00 11.32 H new ATOM 0 HB2 HIS A 44 2.379 58.322 57.169 1.00 4.11 H new ATOM 0 HB3 HIS A 44 3.305 59.563 57.991 1.00 4.11 H new ATOM 0 HD2 HIS A 44 0.280 59.256 55.587 1.00 4.53 H new ATOM 0 HE1 HIS A 44 0.917 63.384 56.320 1.00 73.10 H new ATOM 0 HE2 HIS A 44 -0.662 61.669 55.297 1.00 64.40 H new ATOM 693 N THR A 45 5.059 61.268 56.030 1.00 51.11 N ATOM 694 CA THR A 45 5.428 62.561 55.468 1.00 63.24 C ATOM 695 C THR A 45 5.904 62.418 54.027 1.00 42.35 C ATOM 696 O THR A 45 5.690 63.306 53.201 1.00 12.53 O ATOM 697 CB THR A 45 6.535 63.239 56.297 1.00 73.22 C ATOM 698 OG1 THR A 45 6.874 64.505 55.720 1.00 21.31 O ATOM 699 CG2 THR A 45 7.774 62.360 56.369 1.00 72.03 C ATOM 0 H THR A 45 5.372 61.121 56.989 1.00 51.11 H new ATOM 0 HA THR A 45 4.533 63.183 55.493 1.00 63.24 H new ATOM 0 HB THR A 45 6.158 63.391 57.309 1.00 73.22 H new ATOM 0 HG1 THR A 45 7.577 64.930 56.254 1.00 21.31 H new ATOM 0 HG21 THR A 45 8.541 62.860 56.960 1.00 72.03 H new ATOM 0 HG22 THR A 45 7.519 61.409 56.837 1.00 72.03 H new ATOM 0 HG23 THR A 45 8.151 62.180 55.362 1.00 72.03 H new ATOM 707 N ARG A 46 6.552 61.296 53.731 1.00 3.23 N ATOM 708 CA ARG A 46 7.059 61.037 52.389 1.00 51.52 C ATOM 709 C ARG A 46 6.113 60.123 51.617 1.00 1.41 C ATOM 710 O ARG A 46 5.626 60.481 50.544 1.00 11.34 O ATOM 711 CB ARG A 46 8.450 60.406 52.460 1.00 43.35 C ATOM 712 CG ARG A 46 9.215 60.468 51.147 1.00 0.51 C ATOM 713 CD ARG A 46 9.902 61.812 50.965 1.00 74.23 C ATOM 714 NE ARG A 46 11.181 61.684 50.274 1.00 2.12 N ATOM 715 CZ ARG A 46 12.010 62.701 50.067 1.00 51.43 C ATOM 716 NH1 ARG A 46 11.696 63.915 50.499 1.00 10.24 N ATOM 717 NH2 ARG A 46 13.158 62.505 49.429 1.00 54.01 N ATOM 0 H ARG A 46 6.738 60.552 54.403 1.00 3.23 H new ATOM 0 HA ARG A 46 7.126 61.989 51.863 1.00 51.52 H new ATOM 0 HB2 ARG A 46 9.030 60.911 53.233 1.00 43.35 H new ATOM 0 HB3 ARG A 46 8.352 59.364 52.765 1.00 43.35 H new ATOM 0 HG2 ARG A 46 9.959 59.672 51.120 1.00 0.51 H new ATOM 0 HG3 ARG A 46 8.530 60.293 50.317 1.00 0.51 H new ATOM 0 HD2 ARG A 46 9.250 62.479 50.400 1.00 74.23 H new ATOM 0 HD3 ARG A 46 10.061 62.273 51.940 1.00 74.23 H new ATOM 0 HE ARG A 46 11.453 60.763 49.931 1.00 2.12 H new ATOM 0 HH11 ARG A 46 10.816 64.069 50.991 1.00 10.24 H new ATOM 0 HH12 ARG A 46 12.334 64.694 50.339 1.00 10.24 H new ATOM 0 HH21 ARG A 46 13.404 61.572 49.097 1.00 54.01 H new ATOM 0 HH22 ARG A 46 13.794 63.287 49.271 1.00 54.01 H new ATOM 731 N ARG A 47 5.857 58.941 52.169 1.00 42.34 N ATOM 732 CA ARG A 47 4.972 57.975 51.532 1.00 2.45 C ATOM 733 C ARG A 47 4.101 57.270 52.568 1.00 34.53 C ATOM 734 O ARG A 47 4.593 56.613 53.485 1.00 13.34 O ATOM 735 CB ARG A 47 5.786 56.943 50.748 1.00 72.30 C ATOM 736 CG ARG A 47 4.939 56.046 49.861 1.00 22.13 C ATOM 737 CD ARG A 47 5.730 55.541 48.664 1.00 31.44 C ATOM 738 NE ARG A 47 6.212 56.636 47.826 1.00 41.52 N ATOM 739 CZ ARG A 47 7.419 57.179 47.951 1.00 33.14 C ATOM 740 NH1 ARG A 47 8.258 56.732 48.875 1.00 63.31 N ATOM 741 NH2 ARG A 47 7.785 58.172 47.151 1.00 23.20 N ATOM 0 H ARG A 47 6.251 58.630 53.057 1.00 42.34 H new ATOM 0 HA ARG A 47 4.323 58.515 50.843 1.00 2.45 H new ATOM 0 HB2 ARG A 47 6.518 57.463 50.131 1.00 72.30 H new ATOM 0 HB3 ARG A 47 6.344 56.323 51.450 1.00 72.30 H new ATOM 0 HG2 ARG A 47 4.574 55.199 50.441 1.00 22.13 H new ATOM 0 HG3 ARG A 47 4.064 56.596 49.515 1.00 22.13 H new ATOM 0 HD2 ARG A 47 6.578 54.951 49.012 1.00 31.44 H new ATOM 0 HD3 ARG A 47 5.103 54.878 48.069 1.00 31.44 H new ATOM 0 HE ARG A 47 5.589 57.004 47.107 1.00 41.52 H new ATOM 0 HH11 ARG A 47 7.978 55.970 49.492 1.00 63.31 H new ATOM 0 HH12 ARG A 47 9.184 57.150 48.969 1.00 63.31 H new ATOM 0 HH21 ARG A 47 7.140 58.518 46.440 1.00 23.20 H new ATOM 0 HH22 ARG A 47 8.711 58.589 47.246 1.00 23.20 H new ATOM 755 N PRO A 48 2.775 57.410 52.420 1.00 32.03 N ATOM 756 CA PRO A 48 1.807 56.794 53.333 1.00 73.32 C ATOM 757 C PRO A 48 1.761 55.277 53.192 1.00 12.24 C ATOM 758 O PRO A 48 1.864 54.549 54.180 1.00 22.51 O ATOM 759 CB PRO A 48 0.473 57.412 52.905 1.00 30.43 C ATOM 760 CG PRO A 48 0.672 57.790 51.478 1.00 22.15 C ATOM 761 CD PRO A 48 2.118 58.180 51.349 1.00 13.54 C ATOM 0 HA PRO A 48 2.060 56.974 54.378 1.00 73.32 H new ATOM 0 HB2 PRO A 48 -0.346 56.702 53.016 1.00 30.43 H new ATOM 0 HB3 PRO A 48 0.226 58.281 53.514 1.00 30.43 H new ATOM 0 HG2 PRO A 48 0.432 56.957 50.817 1.00 22.15 H new ATOM 0 HG3 PRO A 48 0.019 58.617 51.199 1.00 22.15 H new ATOM 0 HD2 PRO A 48 2.517 57.925 50.367 1.00 13.54 H new ATOM 0 HD3 PRO A 48 2.258 59.253 51.481 1.00 13.54 H new ATOM 769 N ASP A 49 1.606 54.807 51.959 1.00 2.30 N ATOM 770 CA ASP A 49 1.548 53.374 51.690 1.00 64.45 C ATOM 771 C ASP A 49 2.720 52.650 52.345 1.00 24.31 C ATOM 772 O ASP A 49 2.596 51.499 52.761 1.00 62.11 O ATOM 773 CB ASP A 49 1.553 53.118 50.182 1.00 2.05 C ATOM 774 CG ASP A 49 1.170 51.692 49.836 1.00 71.52 C ATOM 775 OD1 ASP A 49 0.006 51.314 50.084 1.00 14.34 O ATOM 776 OD2 ASP A 49 2.034 50.954 49.318 1.00 31.30 O ATOM 0 H ASP A 49 1.518 55.396 51.131 1.00 2.30 H new ATOM 0 HA ASP A 49 0.622 52.986 52.115 1.00 64.45 H new ATOM 0 HB2 ASP A 49 0.860 53.805 49.697 1.00 2.05 H new ATOM 0 HB3 ASP A 49 2.545 53.332 49.783 1.00 2.05 H new ATOM 781 N GLU A 50 3.858 53.333 52.431 1.00 13.32 N ATOM 782 CA GLU A 50 5.052 52.753 53.034 1.00 50.40 C ATOM 783 C GLU A 50 5.111 53.058 54.528 1.00 30.11 C ATOM 784 O GLU A 50 5.843 52.411 55.276 1.00 15.32 O ATOM 785 CB GLU A 50 6.309 53.286 52.343 1.00 71.11 C ATOM 786 CG GLU A 50 7.152 52.202 51.692 1.00 34.40 C ATOM 787 CD GLU A 50 8.184 52.762 50.733 1.00 72.41 C ATOM 788 OE1 GLU A 50 7.789 53.239 49.648 1.00 53.12 O ATOM 789 OE2 GLU A 50 9.386 52.725 51.068 1.00 63.13 O ATOM 0 H GLU A 50 3.978 54.287 52.091 1.00 13.32 H new ATOM 0 HA GLU A 50 5.005 51.672 52.904 1.00 50.40 H new ATOM 0 HB2 GLU A 50 6.016 54.012 51.584 1.00 71.11 H new ATOM 0 HB3 GLU A 50 6.918 53.818 53.074 1.00 71.11 H new ATOM 0 HG2 GLU A 50 7.657 51.625 52.467 1.00 34.40 H new ATOM 0 HG3 GLU A 50 6.500 51.513 51.156 1.00 34.40 H new ATOM 796 N PHE A 51 4.335 54.049 54.954 1.00 31.21 N ATOM 797 CA PHE A 51 4.299 54.443 56.357 1.00 53.23 C ATOM 798 C PHE A 51 4.084 53.229 57.257 1.00 32.10 C ATOM 799 O PHE A 51 4.801 53.034 58.239 1.00 35.21 O ATOM 800 CB PHE A 51 3.190 55.470 56.593 1.00 33.33 C ATOM 801 CG PHE A 51 2.018 54.923 57.358 1.00 5.40 C ATOM 802 CD1 PHE A 51 2.183 54.430 58.642 1.00 14.33 C ATOM 803 CD2 PHE A 51 0.754 54.901 56.793 1.00 20.54 C ATOM 804 CE1 PHE A 51 1.106 53.925 59.349 1.00 63.34 C ATOM 805 CE2 PHE A 51 -0.326 54.399 57.494 1.00 3.33 C ATOM 806 CZ PHE A 51 -0.149 53.909 58.773 1.00 54.44 C ATOM 0 H PHE A 51 3.722 54.594 54.347 1.00 31.21 H new ATOM 0 HA PHE A 51 5.260 54.893 56.607 1.00 53.23 H new ATOM 0 HB2 PHE A 51 3.603 56.320 57.136 1.00 33.33 H new ATOM 0 HB3 PHE A 51 2.842 55.845 55.630 1.00 33.33 H new ATOM 0 HD1 PHE A 51 3.163 54.440 59.096 1.00 14.33 H new ATOM 0 HD2 PHE A 51 0.610 55.281 55.792 1.00 20.54 H new ATOM 0 HE1 PHE A 51 1.247 53.544 60.350 1.00 63.34 H new ATOM 0 HE2 PHE A 51 -1.307 54.390 57.042 1.00 3.33 H new ATOM 0 HZ PHE A 51 -0.991 53.514 59.322 1.00 54.44 H new ATOM 816 N THR A 52 3.089 52.416 56.915 1.00 52.31 N ATOM 817 CA THR A 52 2.776 51.223 57.692 1.00 65.12 C ATOM 818 C THR A 52 3.943 50.240 57.683 1.00 21.55 C ATOM 819 O THR A 52 4.053 49.386 58.561 1.00 41.04 O ATOM 820 CB THR A 52 1.520 50.515 57.152 1.00 22.15 C ATOM 821 OG1 THR A 52 1.785 49.964 55.856 1.00 75.15 O ATOM 822 CG2 THR A 52 0.348 51.482 57.067 1.00 52.51 C ATOM 0 H THR A 52 2.486 52.562 56.105 1.00 52.31 H new ATOM 0 HA THR A 52 2.588 51.551 58.714 1.00 65.12 H new ATOM 0 HB THR A 52 1.259 49.712 57.841 1.00 22.15 H new ATOM 0 HG1 THR A 52 0.981 49.514 55.521 1.00 75.15 H new ATOM 0 HG21 THR A 52 -0.528 50.959 56.683 1.00 52.51 H new ATOM 0 HG22 THR A 52 0.129 51.876 58.059 1.00 52.51 H new ATOM 0 HG23 THR A 52 0.602 52.304 56.398 1.00 52.51 H new ATOM 830 N ALA A 53 4.810 50.368 56.685 1.00 65.13 N ATOM 831 CA ALA A 53 5.970 49.493 56.564 1.00 43.20 C ATOM 832 C ALA A 53 6.992 49.782 57.658 1.00 41.24 C ATOM 833 O ALA A 53 7.850 48.950 57.954 1.00 3.31 O ATOM 834 CB ALA A 53 6.607 49.647 55.190 1.00 53.13 C ATOM 0 H ALA A 53 4.732 51.069 55.948 1.00 65.13 H new ATOM 0 HA ALA A 53 5.631 48.464 56.682 1.00 43.20 H new ATOM 0 HB1 ALA A 53 7.472 48.988 55.114 1.00 53.13 H new ATOM 0 HB2 ALA A 53 5.881 49.383 54.421 1.00 53.13 H new ATOM 0 HB3 ALA A 53 6.925 50.680 55.050 1.00 53.13 H new ATOM 840 N ARG A 54 6.895 50.965 58.255 1.00 72.23 N ATOM 841 CA ARG A 54 7.813 51.364 59.315 1.00 34.22 C ATOM 842 C ARG A 54 7.568 50.549 60.582 1.00 20.12 C ATOM 843 O ARG A 54 8.419 49.764 61.002 1.00 50.44 O ATOM 844 CB ARG A 54 7.659 52.855 59.619 1.00 64.23 C ATOM 845 CG ARG A 54 8.890 53.478 60.256 1.00 2.43 C ATOM 846 CD ARG A 54 9.911 53.893 59.209 1.00 23.31 C ATOM 847 NE ARG A 54 11.035 54.617 59.797 1.00 22.32 N ATOM 848 CZ ARG A 54 12.120 54.967 59.115 1.00 53.33 C ATOM 849 NH1 ARG A 54 12.229 54.660 57.830 1.00 31.10 N ATOM 850 NH2 ARG A 54 13.101 55.625 59.721 1.00 4.15 N ATOM 0 H ARG A 54 6.190 51.664 58.023 1.00 72.23 H new ATOM 0 HA ARG A 54 8.829 51.173 58.971 1.00 34.22 H new ATOM 0 HB2 ARG A 54 7.432 53.384 58.693 1.00 64.23 H new ATOM 0 HB3 ARG A 54 6.806 52.995 60.283 1.00 64.23 H new ATOM 0 HG2 ARG A 54 8.596 54.348 60.843 1.00 2.43 H new ATOM 0 HG3 ARG A 54 9.344 52.766 60.946 1.00 2.43 H new ATOM 0 HD2 ARG A 54 10.281 53.007 58.692 1.00 23.31 H new ATOM 0 HD3 ARG A 54 9.428 54.520 58.460 1.00 23.31 H new ATOM 0 HE ARG A 54 10.984 54.867 60.784 1.00 22.32 H new ATOM 0 HH11 ARG A 54 11.478 54.153 57.361 1.00 31.10 H new ATOM 0 HH12 ARG A 54 13.064 54.931 57.310 1.00 31.10 H new ATOM 0 HH21 ARG A 54 13.022 55.862 60.710 1.00 4.15 H new ATOM 0 HH22 ARG A 54 13.934 55.894 59.198 1.00 4.15 H new ATOM 864 N LEU A 55 6.399 50.740 61.184 1.00 40.32 N ATOM 865 CA LEU A 55 6.042 50.022 62.404 1.00 23.11 C ATOM 866 C LEU A 55 5.680 48.573 62.096 1.00 11.45 C ATOM 867 O LEU A 55 5.681 47.721 62.985 1.00 53.02 O ATOM 868 CB LEU A 55 4.870 50.715 63.101 1.00 62.32 C ATOM 869 CG LEU A 55 3.499 50.536 62.448 1.00 41.22 C ATOM 870 CD1 LEU A 55 3.519 51.047 61.016 1.00 74.10 C ATOM 871 CD2 LEU A 55 3.076 49.075 62.490 1.00 30.30 C ATOM 0 H LEU A 55 5.683 51.385 60.848 1.00 40.32 H new ATOM 0 HA LEU A 55 6.907 50.028 63.067 1.00 23.11 H new ATOM 0 HB2 LEU A 55 4.813 50.346 64.125 1.00 62.32 H new ATOM 0 HB3 LEU A 55 5.087 51.782 63.158 1.00 62.32 H new ATOM 0 HG LEU A 55 2.770 51.121 63.010 1.00 41.22 H new ATOM 0 HD11 LEU A 55 2.535 50.911 60.567 1.00 74.10 H new ATOM 0 HD12 LEU A 55 3.777 52.106 61.011 1.00 74.10 H new ATOM 0 HD13 LEU A 55 4.259 50.490 60.441 1.00 74.10 H new ATOM 0 HD21 LEU A 55 2.098 48.966 62.021 1.00 30.30 H new ATOM 0 HD22 LEU A 55 3.806 48.469 61.953 1.00 30.30 H new ATOM 0 HD23 LEU A 55 3.021 48.742 63.526 1.00 30.30 H new ATOM 883 N GLN A 56 5.373 48.300 60.832 1.00 12.21 N ATOM 884 CA GLN A 56 5.011 46.952 60.408 1.00 62.44 C ATOM 885 C GLN A 56 6.093 45.951 60.798 1.00 13.44 C ATOM 886 O GLN A 56 5.804 44.780 61.048 1.00 72.04 O ATOM 887 CB GLN A 56 4.787 46.915 58.896 1.00 23.34 C ATOM 888 CG GLN A 56 5.011 45.542 58.282 1.00 61.53 C ATOM 889 CD GLN A 56 4.921 45.558 56.768 1.00 20.04 C ATOM 890 OE1 GLN A 56 3.829 45.537 56.199 1.00 41.12 O ATOM 891 NE2 GLN A 56 6.071 45.596 56.107 1.00 45.02 N ATOM 0 H GLN A 56 5.368 48.993 60.084 1.00 12.21 H new ATOM 0 HA GLN A 56 4.086 46.674 60.913 1.00 62.44 H new ATOM 0 HB2 GLN A 56 3.769 47.239 58.680 1.00 23.34 H new ATOM 0 HB3 GLN A 56 5.457 47.631 58.420 1.00 23.34 H new ATOM 0 HG2 GLN A 56 5.991 45.170 58.580 1.00 61.53 H new ATOM 0 HG3 GLN A 56 4.272 44.846 58.679 1.00 61.53 H new ATOM 0 HE21 GLN A 56 6.953 45.612 56.619 1.00 45.02 H new ATOM 0 HE22 GLN A 56 6.073 45.609 55.087 1.00 45.02 H new ATOM 900 N GLN A 57 7.335 46.418 60.849 1.00 42.51 N ATOM 901 CA GLN A 57 8.459 45.560 61.208 1.00 50.13 C ATOM 902 C GLN A 57 8.391 45.162 62.679 1.00 62.31 C ATOM 903 O GLN A 57 8.621 44.004 63.030 1.00 62.34 O ATOM 904 CB GLN A 57 9.782 46.271 60.921 1.00 53.05 C ATOM 905 CG GLN A 57 10.458 45.808 59.641 1.00 34.45 C ATOM 906 CD GLN A 57 11.910 46.237 59.557 1.00 15.23 C ATOM 907 OE1 GLN A 57 12.229 47.417 59.704 1.00 2.20 O ATOM 908 NE2 GLN A 57 12.797 45.278 59.321 1.00 41.43 N ATOM 0 H GLN A 57 7.590 47.385 60.647 1.00 42.51 H new ATOM 0 HA GLN A 57 8.402 44.656 60.602 1.00 50.13 H new ATOM 0 HB2 GLN A 57 9.602 47.344 60.859 1.00 53.05 H new ATOM 0 HB3 GLN A 57 10.460 46.110 61.759 1.00 53.05 H new ATOM 0 HG2 GLN A 57 10.400 44.721 59.577 1.00 34.45 H new ATOM 0 HG3 GLN A 57 9.916 46.207 58.784 1.00 34.45 H new ATOM 0 HE21 GLN A 57 12.487 44.313 59.206 1.00 41.43 H new ATOM 0 HE22 GLN A 57 13.789 45.506 59.255 1.00 41.43 H new ATOM 917 N SER A 58 8.075 46.128 63.535 1.00 31.13 N ATOM 918 CA SER A 58 7.980 45.878 64.969 1.00 32.51 C ATOM 919 C SER A 58 6.796 44.971 65.285 1.00 30.25 C ATOM 920 O SER A 58 6.964 43.866 65.803 1.00 43.23 O ATOM 921 CB SER A 58 7.843 47.198 65.730 1.00 30.40 C ATOM 922 OG SER A 58 8.426 47.108 67.017 1.00 12.31 O ATOM 0 H SER A 58 7.880 47.091 63.261 1.00 31.13 H new ATOM 0 HA SER A 58 8.894 45.377 65.287 1.00 32.51 H new ATOM 0 HB2 SER A 58 8.322 47.998 65.166 1.00 30.40 H new ATOM 0 HB3 SER A 58 6.789 47.460 65.822 1.00 30.40 H new ATOM 0 HG SER A 58 8.327 47.965 67.482 1.00 12.31 H new ATOM 928 N THR A 59 5.594 45.444 64.970 1.00 21.42 N ATOM 929 CA THR A 59 4.381 44.678 65.221 1.00 30.34 C ATOM 930 C THR A 59 4.517 43.247 64.711 1.00 51.04 C ATOM 931 O THR A 59 3.807 42.347 65.159 1.00 33.10 O ATOM 932 CB THR A 59 3.155 45.332 64.556 1.00 20.45 C ATOM 933 OG1 THR A 59 2.988 46.668 65.043 1.00 42.12 O ATOM 934 CG2 THR A 59 1.894 44.525 64.831 1.00 43.03 C ATOM 0 H THR A 59 5.435 46.355 64.540 1.00 21.42 H new ATOM 0 HA THR A 59 4.236 44.664 66.301 1.00 30.34 H new ATOM 0 HB THR A 59 3.324 45.356 63.479 1.00 20.45 H new ATOM 0 HG1 THR A 59 2.125 47.021 64.741 1.00 42.12 H new ATOM 0 HG21 THR A 59 1.042 45.007 64.351 1.00 43.03 H new ATOM 0 HG22 THR A 59 2.013 43.517 64.433 1.00 43.03 H new ATOM 0 HG23 THR A 59 1.723 44.472 65.906 1.00 43.03 H new ATOM 942 N ASP A 60 5.436 43.044 63.773 1.00 71.21 N ATOM 943 CA ASP A 60 5.668 41.723 63.204 1.00 4.12 C ATOM 944 C ASP A 60 5.980 40.706 64.297 1.00 34.05 C ATOM 945 O ASP A 60 5.698 39.517 64.152 1.00 44.04 O ATOM 946 CB ASP A 60 6.817 41.772 62.195 1.00 22.50 C ATOM 947 CG ASP A 60 6.450 41.140 60.867 1.00 14.14 C ATOM 948 OD1 ASP A 60 5.492 41.621 60.224 1.00 13.44 O ATOM 949 OD2 ASP A 60 7.120 40.165 60.469 1.00 44.23 O ATOM 0 H ASP A 60 6.032 43.778 63.391 1.00 71.21 H new ATOM 0 HA ASP A 60 4.757 41.412 62.692 1.00 4.12 H new ATOM 0 HB2 ASP A 60 7.109 42.809 62.032 1.00 22.50 H new ATOM 0 HB3 ASP A 60 7.684 41.259 62.611 1.00 22.50 H new ATOM 954 N ALA A 61 6.563 41.183 65.393 1.00 30.51 N ATOM 955 CA ALA A 61 6.911 40.317 66.511 1.00 13.33 C ATOM 956 C ALA A 61 5.713 40.095 67.428 1.00 5.34 C ATOM 957 O ALA A 61 5.383 38.959 67.773 1.00 25.11 O ATOM 958 CB ALA A 61 8.075 40.908 67.294 1.00 34.25 C ATOM 0 H ALA A 61 6.804 42.165 65.529 1.00 30.51 H new ATOM 0 HA ALA A 61 7.211 39.349 66.109 1.00 13.33 H new ATOM 0 HB1 ALA A 61 8.325 40.250 68.127 1.00 34.25 H new ATOM 0 HB2 ALA A 61 8.940 41.008 66.639 1.00 34.25 H new ATOM 0 HB3 ALA A 61 7.795 41.889 67.678 1.00 34.25 H new ATOM 964 N LEU A 62 5.065 41.185 67.821 1.00 71.02 N ATOM 965 CA LEU A 62 3.903 41.110 68.699 1.00 73.21 C ATOM 966 C LEU A 62 2.776 40.317 68.044 1.00 54.23 C ATOM 967 O LEU A 62 1.894 39.794 68.726 1.00 50.51 O ATOM 968 CB LEU A 62 3.414 42.516 69.053 1.00 31.23 C ATOM 969 CG LEU A 62 2.403 42.607 70.197 1.00 64.34 C ATOM 970 CD1 LEU A 62 2.663 43.846 71.040 1.00 33.12 C ATOM 971 CD2 LEU A 62 0.982 42.618 69.654 1.00 1.22 C ATOM 0 H LEU A 62 5.325 42.132 67.545 1.00 71.02 H new ATOM 0 HA LEU A 62 4.201 40.596 69.612 1.00 73.21 H new ATOM 0 HB2 LEU A 62 4.280 43.126 69.311 1.00 31.23 H new ATOM 0 HB3 LEU A 62 2.966 42.958 68.163 1.00 31.23 H new ATOM 0 HG LEU A 62 2.521 41.729 70.832 1.00 64.34 H new ATOM 0 HD11 LEU A 62 1.934 43.895 71.849 1.00 33.12 H new ATOM 0 HD12 LEU A 62 3.668 43.797 71.459 1.00 33.12 H new ATOM 0 HD13 LEU A 62 2.573 44.736 70.417 1.00 33.12 H new ATOM 0 HD21 LEU A 62 0.276 42.683 70.482 1.00 1.22 H new ATOM 0 HD22 LEU A 62 0.850 43.478 68.997 1.00 1.22 H new ATOM 0 HD23 LEU A 62 0.800 41.701 69.093 1.00 1.22 H new ATOM 983 N TYR A 63 2.813 40.231 66.720 1.00 20.43 N ATOM 984 CA TYR A 63 1.794 39.502 65.972 1.00 41.43 C ATOM 985 C TYR A 63 2.017 37.996 66.076 1.00 32.22 C ATOM 986 O TYR A 63 1.142 37.258 66.527 1.00 13.33 O ATOM 987 CB TYR A 63 1.805 39.931 64.505 1.00 23.15 C ATOM 988 CG TYR A 63 2.079 38.795 63.545 1.00 23.53 C ATOM 989 CD1 TYR A 63 1.195 37.730 63.426 1.00 32.25 C ATOM 990 CD2 TYR A 63 3.222 38.787 62.754 1.00 73.14 C ATOM 991 CE1 TYR A 63 1.441 36.691 62.550 1.00 1.33 C ATOM 992 CE2 TYR A 63 3.476 37.753 61.875 1.00 51.54 C ATOM 993 CZ TYR A 63 2.583 36.707 61.778 1.00 23.52 C ATOM 994 OH TYR A 63 2.831 35.674 60.903 1.00 1.41 O ATOM 0 H TYR A 63 3.537 40.657 66.141 1.00 20.43 H new ATOM 0 HA TYR A 63 0.822 39.738 66.405 1.00 41.43 H new ATOM 0 HB2 TYR A 63 0.843 40.380 64.259 1.00 23.15 H new ATOM 0 HB3 TYR A 63 2.562 40.703 64.366 1.00 23.15 H new ATOM 0 HD1 TYR A 63 0.299 37.714 64.029 1.00 32.25 H new ATOM 0 HD2 TYR A 63 3.924 39.604 62.828 1.00 73.14 H new ATOM 0 HE1 TYR A 63 0.743 35.871 62.470 1.00 1.33 H new ATOM 0 HE2 TYR A 63 4.369 37.763 61.267 1.00 51.54 H new ATOM 0 HH TYR A 63 3.676 35.838 60.434 1.00 1.41 H new ATOM 1004 N SER A 64 3.195 37.549 65.655 1.00 40.30 N ATOM 1005 CA SER A 64 3.534 36.131 65.697 1.00 41.01 C ATOM 1006 C SER A 64 3.657 35.643 67.138 1.00 75.01 C ATOM 1007 O SER A 64 3.200 34.552 67.478 1.00 34.01 O ATOM 1008 CB SER A 64 4.842 35.875 64.947 1.00 4.22 C ATOM 1009 OG SER A 64 4.719 34.768 64.070 1.00 32.40 O ATOM 0 H SER A 64 3.931 38.148 65.281 1.00 40.30 H new ATOM 0 HA SER A 64 2.731 35.577 65.212 1.00 41.01 H new ATOM 0 HB2 SER A 64 5.119 36.763 64.380 1.00 4.22 H new ATOM 0 HB3 SER A 64 5.644 35.690 65.661 1.00 4.22 H new ATOM 0 HG SER A 64 5.568 34.626 63.601 1.00 32.40 H new ATOM 1015 N HIS A 65 4.279 36.462 67.982 1.00 23.34 N ATOM 1016 CA HIS A 65 4.463 36.116 69.386 1.00 1.21 C ATOM 1017 C HIS A 65 3.139 35.701 70.021 1.00 45.43 C ATOM 1018 O HIS A 65 3.078 34.727 70.773 1.00 22.34 O ATOM 1019 CB HIS A 65 5.060 37.298 70.150 1.00 60.35 C ATOM 1020 CG HIS A 65 5.283 37.020 71.605 1.00 44.15 C ATOM 1021 ND1 HIS A 65 4.856 37.864 72.607 1.00 15.24 N ATOM 1022 CD2 HIS A 65 5.893 35.982 72.224 1.00 64.03 C ATOM 1023 CE1 HIS A 65 5.193 37.358 73.780 1.00 61.53 C ATOM 1024 NE2 HIS A 65 5.824 36.216 73.575 1.00 55.21 N ATOM 0 H HIS A 65 4.663 37.369 67.717 1.00 23.34 H new ATOM 0 HA HIS A 65 5.152 35.273 69.440 1.00 1.21 H new ATOM 0 HB2 HIS A 65 6.010 37.574 69.692 1.00 60.35 H new ATOM 0 HB3 HIS A 65 4.396 38.157 70.050 1.00 60.35 H new ATOM 0 HD2 HIS A 65 6.349 35.129 71.744 1.00 64.03 H new ATOM 0 HE1 HIS A 65 4.987 37.803 74.743 1.00 61.53 H new ATOM 0 HE2 HIS A 65 6.199 35.607 74.302 1.00 55.21 H new ATOM 1032 N LEU A 66 2.083 36.445 69.715 1.00 54.42 N ATOM 1033 CA LEU A 66 0.759 36.155 70.257 1.00 63.15 C ATOM 1034 C LEU A 66 0.138 34.949 69.559 1.00 43.43 C ATOM 1035 O LEU A 66 -0.237 33.973 70.206 1.00 5.41 O ATOM 1036 CB LEU A 66 -0.154 37.373 70.105 1.00 62.32 C ATOM 1037 CG LEU A 66 -1.453 37.341 70.909 1.00 14.35 C ATOM 1038 CD1 LEU A 66 -1.276 38.057 72.239 1.00 14.14 C ATOM 1039 CD2 LEU A 66 -2.589 37.967 70.112 1.00 4.22 C ATOM 0 H LEU A 66 2.117 37.254 69.095 1.00 54.42 H new ATOM 0 HA LEU A 66 0.870 35.922 71.316 1.00 63.15 H new ATOM 0 HB2 LEU A 66 0.407 38.261 70.394 1.00 62.32 H new ATOM 0 HB3 LEU A 66 -0.405 37.484 69.050 1.00 62.32 H new ATOM 0 HG LEU A 66 -1.707 36.300 71.111 1.00 14.35 H new ATOM 0 HD11 LEU A 66 -2.212 38.024 72.797 1.00 14.14 H new ATOM 0 HD12 LEU A 66 -0.492 37.566 72.815 1.00 14.14 H new ATOM 0 HD13 LEU A 66 -0.998 39.095 72.059 1.00 14.14 H new ATOM 0 HD21 LEU A 66 -3.506 37.936 70.700 1.00 4.22 H new ATOM 0 HD22 LEU A 66 -2.342 39.003 69.879 1.00 4.22 H new ATOM 0 HD23 LEU A 66 -2.733 37.411 69.185 1.00 4.22 H new ATOM 1051 N GLU A 67 0.036 35.025 68.236 1.00 34.44 N ATOM 1052 CA GLU A 67 -0.539 33.938 67.452 1.00 32.40 C ATOM 1053 C GLU A 67 0.139 32.612 67.782 1.00 33.05 C ATOM 1054 O GLU A 67 -0.506 31.564 67.811 1.00 71.31 O ATOM 1055 CB GLU A 67 -0.405 34.234 65.956 1.00 2.23 C ATOM 1056 CG GLU A 67 -1.255 33.330 65.079 1.00 5.31 C ATOM 1057 CD GLU A 67 -0.428 32.327 64.299 1.00 42.24 C ATOM 1058 OE1 GLU A 67 0.211 31.462 64.937 1.00 31.32 O ATOM 1059 OE2 GLU A 67 -0.418 32.406 63.053 1.00 41.43 O ATOM 0 H GLU A 67 0.343 35.827 67.685 1.00 34.44 H new ATOM 0 HA GLU A 67 -1.596 33.859 67.707 1.00 32.40 H new ATOM 0 HB2 GLU A 67 -0.685 35.271 65.773 1.00 2.23 H new ATOM 0 HB3 GLU A 67 0.640 34.130 65.666 1.00 2.23 H new ATOM 0 HG2 GLU A 67 -1.973 32.797 65.702 1.00 5.31 H new ATOM 0 HG3 GLU A 67 -1.829 33.941 64.383 1.00 5.31 H new ATOM 1066 N ALA A 68 1.443 32.665 68.030 1.00 54.24 N ATOM 1067 CA ALA A 68 2.208 31.470 68.361 1.00 5.13 C ATOM 1068 C ALA A 68 2.115 31.152 69.849 1.00 31.23 C ATOM 1069 O ALA A 68 1.638 30.085 70.236 1.00 2.01 O ATOM 1070 CB ALA A 68 3.662 31.642 67.946 1.00 62.23 C ATOM 0 H ALA A 68 1.992 33.524 68.008 1.00 54.24 H new ATOM 0 HA ALA A 68 1.781 30.632 67.810 1.00 5.13 H new ATOM 0 HB1 ALA A 68 4.222 30.742 68.199 1.00 62.23 H new ATOM 0 HB2 ALA A 68 3.716 31.812 66.871 1.00 62.23 H new ATOM 0 HB3 ALA A 68 4.091 32.496 68.470 1.00 62.23 H new ATOM 1076 N GLN A 69 2.574 32.084 70.678 1.00 10.04 N ATOM 1077 CA GLN A 69 2.543 31.900 72.124 1.00 12.32 C ATOM 1078 C GLN A 69 1.117 31.673 72.614 1.00 62.15 C ATOM 1079 O GLN A 69 0.836 30.693 73.303 1.00 1.35 O ATOM 1080 CB GLN A 69 3.149 33.116 72.827 1.00 63.34 C ATOM 1081 CG GLN A 69 3.484 32.870 74.289 1.00 42.44 C ATOM 1082 CD GLN A 69 4.609 31.869 74.469 1.00 23.40 C ATOM 1083 OE1 GLN A 69 5.733 32.091 74.017 1.00 73.44 O ATOM 1084 NE2 GLN A 69 4.311 30.758 75.132 1.00 3.33 N ATOM 0 H GLN A 69 2.971 32.973 70.374 1.00 10.04 H new ATOM 0 HA GLN A 69 3.135 31.017 72.365 1.00 12.32 H new ATOM 0 HB2 GLN A 69 4.055 33.415 72.301 1.00 63.34 H new ATOM 0 HB3 GLN A 69 2.451 33.950 72.758 1.00 63.34 H new ATOM 0 HG2 GLN A 69 3.764 33.814 74.758 1.00 42.44 H new ATOM 0 HG3 GLN A 69 2.595 32.509 74.806 1.00 42.44 H new ATOM 0 HE21 GLN A 69 3.366 30.615 75.489 1.00 3.33 H new ATOM 0 HE22 GLN A 69 5.027 30.047 75.284 1.00 3.33 H new ATOM 1093 N TRP A 70 0.222 32.586 72.255 1.00 31.35 N ATOM 1094 CA TRP A 70 -1.177 32.486 72.659 1.00 5.42 C ATOM 1095 C TRP A 70 -1.807 31.205 72.122 1.00 60.55 C ATOM 1096 O TRP A 70 -2.785 30.704 72.677 1.00 71.45 O ATOM 1097 CB TRP A 70 -1.960 33.702 72.163 1.00 12.00 C ATOM 1098 CG TRP A 70 -3.097 34.082 73.063 1.00 23.54 C ATOM 1099 CD1 TRP A 70 -4.370 33.587 73.030 1.00 42.30 C ATOM 1100 CD2 TRP A 70 -3.065 35.040 74.126 1.00 40.45 C ATOM 1101 NE1 TRP A 70 -5.130 34.179 74.010 1.00 23.43 N ATOM 1102 CE2 TRP A 70 -4.353 35.073 74.696 1.00 55.41 C ATOM 1103 CE3 TRP A 70 -2.073 35.870 74.655 1.00 60.55 C ATOM 1104 CZ2 TRP A 70 -4.672 35.905 75.766 1.00 54.24 C ATOM 1105 CZ3 TRP A 70 -2.392 36.696 75.716 1.00 41.24 C ATOM 1106 CH2 TRP A 70 -3.682 36.708 76.264 1.00 65.40 C ATOM 0 H TRP A 70 0.439 33.404 71.685 1.00 31.35 H new ATOM 0 HA TRP A 70 -1.215 32.459 73.748 1.00 5.42 H new ATOM 0 HB2 TRP A 70 -1.281 34.549 72.069 1.00 12.00 H new ATOM 0 HB3 TRP A 70 -2.349 33.493 71.166 1.00 12.00 H new ATOM 0 HD1 TRP A 70 -4.727 32.840 72.336 1.00 42.30 H new ATOM 0 HE1 TRP A 70 -6.114 33.984 74.196 1.00 23.43 H new ATOM 0 HE3 TRP A 70 -1.075 35.866 74.242 1.00 60.55 H new ATOM 0 HZ2 TRP A 70 -5.666 35.916 76.188 1.00 54.24 H new ATOM 0 HZ3 TRP A 70 -1.634 37.344 76.130 1.00 41.24 H new ATOM 0 HH2 TRP A 70 -3.899 37.363 77.095 1.00 65.40 H new ATOM 1117 N ALA A 71 -1.242 30.681 71.039 1.00 74.23 N ATOM 1118 CA ALA A 71 -1.749 29.458 70.429 1.00 63.14 C ATOM 1119 C ALA A 71 -1.981 28.377 71.478 1.00 50.14 C ATOM 1120 O ALA A 71 -3.001 27.688 71.460 1.00 4.43 O ATOM 1121 CB ALA A 71 -0.784 28.963 69.362 1.00 23.25 C ATOM 0 H ALA A 71 -0.433 31.084 70.566 1.00 74.23 H new ATOM 0 HA ALA A 71 -2.707 29.684 69.961 1.00 63.14 H new ATOM 0 HB1 ALA A 71 -1.174 28.049 68.914 1.00 23.25 H new ATOM 0 HB2 ALA A 71 -0.672 29.725 68.591 1.00 23.25 H new ATOM 0 HB3 ALA A 71 0.186 28.759 69.815 1.00 23.25 H new ATOM 1127 N LYS A 72 -1.028 28.232 72.394 1.00 64.11 N ATOM 1128 CA LYS A 72 -1.127 27.235 73.452 1.00 32.13 C ATOM 1129 C LYS A 72 -2.534 27.207 74.043 1.00 64.31 C ATOM 1130 O LYS A 72 -2.994 26.171 74.522 1.00 71.13 O ATOM 1131 CB LYS A 72 -0.106 27.526 74.554 1.00 70.30 C ATOM 1132 CG LYS A 72 1.329 27.249 74.141 1.00 65.53 C ATOM 1133 CD LYS A 72 1.666 25.772 74.251 1.00 41.43 C ATOM 1134 CE LYS A 72 1.414 25.043 72.941 1.00 22.54 C ATOM 1135 NZ LYS A 72 2.396 23.947 72.717 1.00 43.00 N ATOM 0 H LYS A 72 -0.177 28.794 72.424 1.00 64.11 H new ATOM 0 HA LYS A 72 -0.914 26.258 73.017 1.00 32.13 H new ATOM 0 HB2 LYS A 72 -0.194 28.570 74.853 1.00 70.30 H new ATOM 0 HB3 LYS A 72 -0.346 26.923 75.429 1.00 70.30 H new ATOM 0 HG2 LYS A 72 1.484 27.583 73.115 1.00 65.53 H new ATOM 0 HG3 LYS A 72 2.007 27.826 74.770 1.00 65.53 H new ATOM 0 HD2 LYS A 72 2.711 25.657 74.537 1.00 41.43 H new ATOM 0 HD3 LYS A 72 1.067 25.319 75.041 1.00 41.43 H new ATOM 0 HE2 LYS A 72 0.405 24.631 72.943 1.00 22.54 H new ATOM 0 HE3 LYS A 72 1.467 25.752 72.115 1.00 22.54 H new ATOM 0 HZ1 LYS A 72 2.190 23.475 71.813 1.00 43.00 H new ATOM 0 HZ2 LYS A 72 3.357 24.343 72.689 1.00 43.00 H new ATOM 0 HZ3 LYS A 72 2.328 23.256 73.492 1.00 43.00 H new ATOM 1149 N GLN A 73 -3.211 28.351 74.002 1.00 52.42 N ATOM 1150 CA GLN A 73 -4.564 28.455 74.533 1.00 75.34 C ATOM 1151 C GLN A 73 -5.480 27.415 73.897 1.00 73.11 C ATOM 1152 O GLN A 73 -6.035 26.557 74.585 1.00 75.21 O ATOM 1153 CB GLN A 73 -5.122 29.860 74.292 1.00 24.11 C ATOM 1154 CG GLN A 73 -4.585 30.902 75.259 1.00 15.34 C ATOM 1155 CD GLN A 73 -5.098 30.705 76.672 1.00 54.42 C ATOM 1156 OE1 GLN A 73 -6.042 31.369 77.100 1.00 34.34 O ATOM 1157 NE2 GLN A 73 -4.476 29.789 77.406 1.00 73.24 N ATOM 0 H GLN A 73 -2.844 29.217 73.607 1.00 52.42 H new ATOM 0 HA GLN A 73 -4.522 28.267 75.606 1.00 75.34 H new ATOM 0 HB2 GLN A 73 -4.885 30.166 73.273 1.00 24.11 H new ATOM 0 HB3 GLN A 73 -6.209 29.829 74.371 1.00 24.11 H new ATOM 0 HG2 GLN A 73 -3.496 30.862 75.263 1.00 15.34 H new ATOM 0 HG3 GLN A 73 -4.866 31.896 74.910 1.00 15.34 H new ATOM 0 HE21 GLN A 73 -3.698 29.261 77.011 1.00 73.24 H new ATOM 0 HE22 GLN A 73 -4.777 29.613 78.365 1.00 73.24 H new ATOM 1166 N HIS A 74 -5.636 27.498 72.579 1.00 12.44 N ATOM 1167 CA HIS A 74 -6.486 26.562 71.850 1.00 53.43 C ATOM 1168 C HIS A 74 -5.798 26.085 70.574 1.00 52.32 C ATOM 1169 O HIS A 74 -5.777 24.892 70.278 1.00 11.22 O ATOM 1170 CB HIS A 74 -7.824 27.217 71.507 1.00 52.12 C ATOM 1171 CG HIS A 74 -8.968 26.708 72.329 1.00 72.12 C ATOM 1172 ND1 HIS A 74 -9.409 25.402 72.277 1.00 73.33 N ATOM 1173 CD2 HIS A 74 -9.762 27.336 73.228 1.00 44.43 C ATOM 1174 CE1 HIS A 74 -10.425 25.250 73.106 1.00 55.42 C ATOM 1175 NE2 HIS A 74 -10.659 26.409 73.696 1.00 14.42 N ATOM 0 H HIS A 74 -5.186 28.203 71.995 1.00 12.44 H new ATOM 0 HA HIS A 74 -6.666 25.698 72.490 1.00 53.43 H new ATOM 0 HB2 HIS A 74 -7.738 28.295 71.647 1.00 52.12 H new ATOM 0 HB3 HIS A 74 -8.042 27.049 70.452 1.00 52.12 H new ATOM 0 HD2 HIS A 74 -9.701 28.373 73.522 1.00 44.43 H new ATOM 0 HE1 HIS A 74 -10.972 24.334 73.274 1.00 55.42 H new ATOM 0 HE2 HIS A 74 -11.388 26.586 74.387 1.00 14.42 H new ATOM 1183 N GLY A 75 -5.237 27.027 69.822 1.00 42.14 N ATOM 1184 CA GLY A 75 -4.558 26.683 68.587 1.00 41.35 C ATOM 1185 C GLY A 75 -5.328 27.123 67.359 1.00 73.50 C ATOM 1186 O GLY A 75 -4.746 27.339 66.294 1.00 54.12 O ATOM 0 H GLY A 75 -5.241 28.022 70.046 1.00 42.14 H new ATOM 0 HA2 GLY A 75 -3.571 27.146 68.578 1.00 41.35 H new ATOM 0 HA3 GLY A 75 -4.405 25.604 68.549 1.00 41.35 H new ATOM 1190 N THR A 76 -6.643 27.258 67.503 1.00 74.11 N ATOM 1191 CA THR A 76 -7.495 27.673 66.397 1.00 13.12 C ATOM 1192 C THR A 76 -7.667 29.187 66.373 1.00 72.14 C ATOM 1193 O THR A 76 -7.838 29.801 65.320 1.00 25.02 O ATOM 1194 CB THR A 76 -8.884 27.012 66.479 1.00 24.33 C ATOM 1195 OG1 THR A 76 -9.216 26.414 65.221 1.00 22.21 O ATOM 1196 CG2 THR A 76 -9.948 28.031 66.858 1.00 42.40 C ATOM 0 H THR A 76 -7.141 27.085 68.376 1.00 74.11 H new ATOM 0 HA THR A 76 -7.001 27.351 65.480 1.00 13.12 H new ATOM 0 HB THR A 76 -8.851 26.242 67.250 1.00 24.33 H new ATOM 0 HG1 THR A 76 -10.100 25.994 65.281 1.00 22.21 H new ATOM 0 HG21 THR A 76 -10.920 27.540 66.909 1.00 42.40 H new ATOM 0 HG22 THR A 76 -9.708 28.464 67.829 1.00 42.40 H new ATOM 0 HG23 THR A 76 -9.980 28.820 66.107 1.00 42.40 H new ATOM 1204 N PRO A 77 -7.620 29.808 67.562 1.00 12.44 N ATOM 1205 CA PRO A 77 -7.768 31.259 67.704 1.00 73.23 C ATOM 1206 C PRO A 77 -6.569 32.021 67.150 1.00 23.43 C ATOM 1207 O PRO A 77 -6.670 33.182 66.751 1.00 15.41 O ATOM 1208 CB PRO A 77 -7.875 31.459 69.218 1.00 32.01 C ATOM 1209 CG PRO A 77 -7.175 30.282 69.805 1.00 72.43 C ATOM 1210 CD PRO A 77 -7.420 29.140 68.859 1.00 43.03 C ATOM 0 HA PRO A 77 -8.626 31.637 67.149 1.00 73.23 H new ATOM 0 HB2 PRO A 77 -7.407 32.393 69.528 1.00 32.01 H new ATOM 0 HB3 PRO A 77 -8.916 31.502 69.539 1.00 32.01 H new ATOM 0 HG2 PRO A 77 -6.108 30.477 69.913 1.00 72.43 H new ATOM 0 HG3 PRO A 77 -7.560 30.055 70.799 1.00 72.43 H new ATOM 0 HD2 PRO A 77 -6.574 28.453 68.831 1.00 43.03 H new ATOM 0 HD3 PRO A 77 -8.294 28.558 69.150 1.00 43.03 H new ATOM 1218 N PRO A 78 -5.405 31.354 67.122 1.00 75.13 N ATOM 1219 CA PRO A 78 -4.164 31.949 66.618 1.00 64.04 C ATOM 1220 C PRO A 78 -4.193 32.158 65.107 1.00 13.21 C ATOM 1221 O PRO A 78 -3.775 31.288 64.342 1.00 71.52 O ATOM 1222 CB PRO A 78 -3.097 30.918 66.995 1.00 25.31 C ATOM 1223 CG PRO A 78 -3.834 29.627 67.084 1.00 24.33 C ATOM 1224 CD PRO A 78 -5.211 29.969 67.581 1.00 3.14 C ATOM 0 HA PRO A 78 -3.987 32.939 67.038 1.00 64.04 H new ATOM 0 HB2 PRO A 78 -2.308 30.873 66.245 1.00 25.31 H new ATOM 0 HB3 PRO A 78 -2.621 31.169 67.943 1.00 25.31 H new ATOM 0 HG2 PRO A 78 -3.881 29.137 66.112 1.00 24.33 H new ATOM 0 HG3 PRO A 78 -3.334 28.938 67.765 1.00 24.33 H new ATOM 0 HD2 PRO A 78 -5.965 29.299 67.168 1.00 3.14 H new ATOM 0 HD3 PRO A 78 -5.277 29.892 68.666 1.00 3.14 H new ATOM 1232 N THR A 79 -4.689 33.317 64.683 1.00 3.31 N ATOM 1233 CA THR A 79 -4.773 33.638 63.264 1.00 32.10 C ATOM 1234 C THR A 79 -4.848 35.145 63.046 1.00 1.30 C ATOM 1235 O THR A 79 -5.427 35.870 63.855 1.00 65.23 O ATOM 1236 CB THR A 79 -5.999 32.974 62.609 1.00 73.30 C ATOM 1237 OG1 THR A 79 -6.048 33.302 61.216 1.00 71.13 O ATOM 1238 CG2 THR A 79 -7.284 33.424 63.287 1.00 12.45 C ATOM 0 H THR A 79 -5.038 34.048 65.302 1.00 3.31 H new ATOM 0 HA THR A 79 -3.867 33.250 62.798 1.00 32.10 H new ATOM 0 HB THR A 79 -5.905 31.894 62.724 1.00 73.30 H new ATOM 0 HG1 THR A 79 -6.829 32.875 60.807 1.00 71.13 H new ATOM 0 HG21 THR A 79 -8.136 32.942 62.808 1.00 12.45 H new ATOM 0 HG22 THR A 79 -7.256 33.147 64.341 1.00 12.45 H new ATOM 0 HG23 THR A 79 -7.382 34.506 63.199 1.00 12.45 H new ATOM 1246 N ALA A 80 -4.261 35.609 61.948 1.00 52.33 N ATOM 1247 CA ALA A 80 -4.264 37.030 61.623 1.00 43.21 C ATOM 1248 C ALA A 80 -5.606 37.668 61.964 1.00 70.21 C ATOM 1249 O ALA A 80 -5.663 38.686 62.654 1.00 64.45 O ATOM 1250 CB ALA A 80 -3.939 37.235 60.150 1.00 33.22 C ATOM 0 H ALA A 80 -3.777 35.022 61.269 1.00 52.33 H new ATOM 0 HA ALA A 80 -3.496 37.517 62.225 1.00 43.21 H new ATOM 0 HB1 ALA A 80 -3.945 38.301 59.921 1.00 33.22 H new ATOM 0 HB2 ALA A 80 -2.953 36.823 59.934 1.00 33.22 H new ATOM 0 HB3 ALA A 80 -4.686 36.729 59.539 1.00 33.22 H new ATOM 1256 N SER A 81 -6.685 37.064 61.476 1.00 53.21 N ATOM 1257 CA SER A 81 -8.027 37.576 61.727 1.00 63.34 C ATOM 1258 C SER A 81 -8.225 37.878 63.209 1.00 0.23 C ATOM 1259 O SER A 81 -8.889 38.849 63.573 1.00 21.32 O ATOM 1260 CB SER A 81 -9.077 36.569 61.254 1.00 41.51 C ATOM 1261 OG SER A 81 -9.230 36.614 59.846 1.00 53.02 O ATOM 0 H SER A 81 -6.656 36.220 60.905 1.00 53.21 H new ATOM 0 HA SER A 81 -8.146 38.503 61.167 1.00 63.34 H new ATOM 0 HB2 SER A 81 -8.785 35.564 61.559 1.00 41.51 H new ATOM 0 HB3 SER A 81 -10.032 36.783 61.734 1.00 41.51 H new ATOM 0 HG SER A 81 -9.905 35.960 59.569 1.00 53.02 H new ATOM 1267 N ASP A 82 -7.646 37.038 64.060 1.00 43.12 N ATOM 1268 CA ASP A 82 -7.757 37.214 65.503 1.00 13.13 C ATOM 1269 C ASP A 82 -6.632 38.098 66.031 1.00 52.25 C ATOM 1270 O ASP A 82 -6.879 39.148 66.625 1.00 24.42 O ATOM 1271 CB ASP A 82 -7.730 35.857 66.208 1.00 23.43 C ATOM 1272 CG ASP A 82 -8.963 35.026 65.912 1.00 52.02 C ATOM 1273 OD1 ASP A 82 -9.186 34.695 64.729 1.00 63.30 O ATOM 1274 OD2 ASP A 82 -9.707 34.707 66.864 1.00 60.10 O ATOM 0 H ASP A 82 -7.095 36.228 63.775 1.00 43.12 H new ATOM 0 HA ASP A 82 -8.708 37.704 65.712 1.00 13.13 H new ATOM 0 HB2 ASP A 82 -6.842 35.307 65.897 1.00 23.43 H new ATOM 0 HB3 ASP A 82 -7.649 36.011 67.284 1.00 23.43 H new ATOM 1279 N VAL A 83 -5.395 37.666 65.813 1.00 42.52 N ATOM 1280 CA VAL A 83 -4.231 38.417 66.268 1.00 4.31 C ATOM 1281 C VAL A 83 -4.325 39.881 65.852 1.00 10.24 C ATOM 1282 O VAL A 83 -3.711 40.753 66.467 1.00 21.44 O ATOM 1283 CB VAL A 83 -2.925 37.820 65.710 1.00 2.41 C ATOM 1284 CG1 VAL A 83 -1.717 38.531 66.302 1.00 2.34 C ATOM 1285 CG2 VAL A 83 -2.862 36.326 65.986 1.00 44.42 C ATOM 0 H VAL A 83 -5.172 36.799 65.324 1.00 42.52 H new ATOM 0 HA VAL A 83 -4.217 38.351 67.356 1.00 4.31 H new ATOM 0 HB VAL A 83 -2.911 37.968 64.630 1.00 2.41 H new ATOM 0 HG11 VAL A 83 -0.804 38.096 65.896 1.00 2.34 H new ATOM 0 HG12 VAL A 83 -1.758 39.590 66.048 1.00 2.34 H new ATOM 0 HG13 VAL A 83 -1.723 38.417 67.386 1.00 2.34 H new ATOM 0 HG21 VAL A 83 -1.933 35.921 65.585 1.00 44.42 H new ATOM 0 HG22 VAL A 83 -2.899 36.153 67.062 1.00 44.42 H new ATOM 0 HG23 VAL A 83 -3.709 35.832 65.510 1.00 44.42 H new ATOM 1295 N VAL A 84 -5.100 40.144 64.804 1.00 10.33 N ATOM 1296 CA VAL A 84 -5.278 41.503 64.307 1.00 44.23 C ATOM 1297 C VAL A 84 -5.845 42.414 65.389 1.00 30.11 C ATOM 1298 O VAL A 84 -5.592 43.618 65.397 1.00 62.32 O ATOM 1299 CB VAL A 84 -6.210 41.534 63.082 1.00 71.43 C ATOM 1300 CG1 VAL A 84 -7.618 41.110 63.471 1.00 52.01 C ATOM 1301 CG2 VAL A 84 -6.217 42.920 62.453 1.00 55.11 C ATOM 0 H VAL A 84 -5.614 39.434 64.283 1.00 10.33 H new ATOM 0 HA VAL A 84 -4.293 41.865 64.013 1.00 44.23 H new ATOM 0 HB VAL A 84 -5.834 40.826 62.343 1.00 71.43 H new ATOM 0 HG11 VAL A 84 -8.262 41.138 62.592 1.00 52.01 H new ATOM 0 HG12 VAL A 84 -7.595 40.097 63.872 1.00 52.01 H new ATOM 0 HG13 VAL A 84 -8.007 41.791 64.228 1.00 52.01 H new ATOM 0 HG21 VAL A 84 -6.881 42.924 61.589 1.00 55.11 H new ATOM 0 HG22 VAL A 84 -6.568 43.649 63.183 1.00 55.11 H new ATOM 0 HG23 VAL A 84 -5.207 43.181 62.136 1.00 55.11 H new ATOM 1311 N GLY A 85 -6.615 41.831 66.302 1.00 22.33 N ATOM 1312 CA GLY A 85 -7.207 42.606 67.377 1.00 13.42 C ATOM 1313 C GLY A 85 -7.188 41.869 68.701 1.00 43.25 C ATOM 1314 O GLY A 85 -7.645 42.392 69.717 1.00 73.31 O ATOM 0 H GLY A 85 -6.840 40.836 66.317 1.00 22.33 H new ATOM 0 HA2 GLY A 85 -6.668 43.548 67.481 1.00 13.42 H new ATOM 0 HA3 GLY A 85 -8.236 42.854 67.118 1.00 13.42 H new ATOM 1318 N MET A 86 -6.658 40.650 68.691 1.00 32.23 N ATOM 1319 CA MET A 86 -6.582 39.840 69.902 1.00 24.42 C ATOM 1320 C MET A 86 -5.644 40.475 70.922 1.00 12.40 C ATOM 1321 O MET A 86 -5.984 40.642 72.094 1.00 5.44 O ATOM 1322 CB MET A 86 -6.105 38.425 69.564 1.00 32.32 C ATOM 1323 CG MET A 86 -6.710 37.352 70.455 1.00 75.05 C ATOM 1324 SD MET A 86 -5.502 36.617 71.574 1.00 21.34 S ATOM 1325 CE MET A 86 -4.893 35.263 70.572 1.00 31.55 C ATOM 0 H MET A 86 -6.275 40.202 67.859 1.00 32.23 H new ATOM 0 HA MET A 86 -7.580 39.786 70.337 1.00 24.42 H new ATOM 0 HB2 MET A 86 -6.352 38.205 68.525 1.00 32.32 H new ATOM 0 HB3 MET A 86 -5.019 38.386 69.648 1.00 32.32 H new ATOM 0 HG2 MET A 86 -7.523 37.785 71.038 1.00 75.05 H new ATOM 0 HG3 MET A 86 -7.145 36.571 69.832 1.00 75.05 H new ATOM 0 HE1 MET A 86 -3.810 35.192 70.676 1.00 31.55 H new ATOM 0 HE2 MET A 86 -5.351 34.331 70.903 1.00 31.55 H new ATOM 0 HE3 MET A 86 -5.147 35.441 69.527 1.00 31.55 H new ATOM 1335 N PRO A 87 -4.435 40.839 70.471 1.00 63.05 N ATOM 1336 CA PRO A 87 -3.423 41.462 71.329 1.00 32.24 C ATOM 1337 C PRO A 87 -3.805 42.880 71.739 1.00 31.21 C ATOM 1338 O PRO A 87 -4.858 43.385 71.351 1.00 40.21 O ATOM 1339 CB PRO A 87 -2.172 41.479 70.448 1.00 50.02 C ATOM 1340 CG PRO A 87 -2.691 41.473 69.052 1.00 74.03 C ATOM 1341 CD PRO A 87 -3.962 40.671 69.085 1.00 53.42 C ATOM 0 HA PRO A 87 -3.293 40.920 72.266 1.00 32.24 H new ATOM 0 HB2 PRO A 87 -1.564 42.363 70.641 1.00 50.02 H new ATOM 0 HB3 PRO A 87 -1.541 40.611 70.639 1.00 50.02 H new ATOM 0 HG2 PRO A 87 -2.879 42.488 68.702 1.00 74.03 H new ATOM 0 HG3 PRO A 87 -1.967 41.029 68.369 1.00 74.03 H new ATOM 0 HD2 PRO A 87 -4.690 41.042 68.364 1.00 53.42 H new ATOM 0 HD3 PRO A 87 -3.782 39.623 68.846 1.00 53.42 H new ATOM 1349 N GLN A 88 -2.942 43.517 72.525 1.00 42.22 N ATOM 1350 CA GLN A 88 -3.190 44.877 72.987 1.00 71.02 C ATOM 1351 C GLN A 88 -2.769 45.896 71.932 1.00 14.14 C ATOM 1352 O GLN A 88 -3.392 46.948 71.789 1.00 71.14 O ATOM 1353 CB GLN A 88 -2.441 45.139 74.294 1.00 60.04 C ATOM 1354 CG GLN A 88 -0.945 44.882 74.199 1.00 51.24 C ATOM 1355 CD GLN A 88 -0.226 45.132 75.510 1.00 10.14 C ATOM 1356 OE1 GLN A 88 -0.850 45.449 76.523 1.00 14.21 O ATOM 1357 NE2 GLN A 88 1.094 44.990 75.498 1.00 43.52 N ATOM 0 H GLN A 88 -2.065 43.113 72.855 1.00 42.22 H new ATOM 0 HA GLN A 88 -4.260 44.984 73.163 1.00 71.02 H new ATOM 0 HB2 GLN A 88 -2.605 46.173 74.596 1.00 60.04 H new ATOM 0 HB3 GLN A 88 -2.861 44.507 75.077 1.00 60.04 H new ATOM 0 HG2 GLN A 88 -0.776 43.851 73.887 1.00 51.24 H new ATOM 0 HG3 GLN A 88 -0.518 45.522 73.427 1.00 51.24 H new ATOM 0 HE21 GLN A 88 1.571 44.726 74.636 1.00 43.52 H new ATOM 0 HE22 GLN A 88 1.631 45.145 76.351 1.00 43.52 H new ATOM 1366 N TRP A 89 -1.710 45.576 71.198 1.00 12.03 N ATOM 1367 CA TRP A 89 -1.207 46.464 70.156 1.00 41.10 C ATOM 1368 C TRP A 89 -2.353 47.053 69.342 1.00 51.45 C ATOM 1369 O TRP A 89 -2.300 48.212 68.929 1.00 3.53 O ATOM 1370 CB TRP A 89 -0.246 45.710 69.235 1.00 45.42 C ATOM 1371 CG TRP A 89 -0.902 45.184 67.994 1.00 11.30 C ATOM 1372 CD1 TRP A 89 -1.215 43.882 67.721 1.00 61.45 C ATOM 1373 CD2 TRP A 89 -1.324 45.947 66.859 1.00 55.05 C ATOM 1374 NE1 TRP A 89 -1.805 43.792 66.484 1.00 22.10 N ATOM 1375 CE2 TRP A 89 -1.884 45.044 65.935 1.00 35.23 C ATOM 1376 CE3 TRP A 89 -1.285 47.307 66.535 1.00 5.14 C ATOM 1377 CZ2 TRP A 89 -2.400 45.458 64.710 1.00 21.52 C ATOM 1378 CZ3 TRP A 89 -1.796 47.715 65.317 1.00 50.11 C ATOM 1379 CH2 TRP A 89 -2.348 46.794 64.418 1.00 62.31 C ATOM 0 H TRP A 89 -1.183 44.709 71.305 1.00 12.03 H new ATOM 0 HA TRP A 89 -0.671 47.282 70.638 1.00 41.10 H new ATOM 0 HB2 TRP A 89 0.571 46.374 68.952 1.00 45.42 H new ATOM 0 HB3 TRP A 89 0.195 44.878 69.785 1.00 45.42 H new ATOM 0 HD1 TRP A 89 -1.026 43.048 68.380 1.00 61.45 H new ATOM 0 HE1 TRP A 89 -2.132 42.931 66.045 1.00 22.10 H new ATOM 0 HE3 TRP A 89 -0.864 48.025 67.223 1.00 5.14 H new ATOM 0 HZ2 TRP A 89 -2.826 44.750 64.015 1.00 21.52 H new ATOM 0 HZ3 TRP A 89 -1.769 48.762 65.054 1.00 50.11 H new ATOM 0 HH2 TRP A 89 -2.741 47.145 63.475 1.00 62.31 H new ATOM 1390 N GLN A 90 -3.387 46.250 69.115 1.00 44.13 N ATOM 1391 CA GLN A 90 -4.545 46.695 68.349 1.00 0.43 C ATOM 1392 C GLN A 90 -5.212 47.893 69.017 1.00 11.22 C ATOM 1393 O GLN A 90 -5.506 48.894 68.365 1.00 51.12 O ATOM 1394 CB GLN A 90 -5.553 45.553 68.201 1.00 65.13 C ATOM 1395 CG GLN A 90 -6.880 45.988 67.600 1.00 25.01 C ATOM 1396 CD GLN A 90 -8.027 45.890 68.586 1.00 14.13 C ATOM 1397 OE1 GLN A 90 -8.390 44.799 69.027 1.00 10.52 O ATOM 1398 NE2 GLN A 90 -8.604 47.032 68.940 1.00 30.15 N ATOM 0 H GLN A 90 -3.447 45.289 69.450 1.00 44.13 H new ATOM 0 HA GLN A 90 -4.201 46.998 67.360 1.00 0.43 H new ATOM 0 HB2 GLN A 90 -5.118 44.774 67.575 1.00 65.13 H new ATOM 0 HB3 GLN A 90 -5.735 45.110 69.180 1.00 65.13 H new ATOM 0 HG2 GLN A 90 -6.795 47.016 67.248 1.00 25.01 H new ATOM 0 HG3 GLN A 90 -7.100 45.370 66.730 1.00 25.01 H new ATOM 0 HE21 GLN A 90 -8.271 47.914 68.550 1.00 30.15 H new ATOM 0 HE22 GLN A 90 -9.380 47.028 69.602 1.00 30.15 H new ATOM 1407 N GLU A 91 -5.448 47.782 70.321 1.00 72.20 N ATOM 1408 CA GLU A 91 -6.081 48.857 71.076 1.00 23.40 C ATOM 1409 C GLU A 91 -5.071 49.948 71.420 1.00 33.55 C ATOM 1410 O GLU A 91 -5.264 51.117 71.082 1.00 1.14 O ATOM 1411 CB GLU A 91 -6.712 48.308 72.356 1.00 52.34 C ATOM 1412 CG GLU A 91 -7.935 49.085 72.815 1.00 51.23 C ATOM 1413 CD GLU A 91 -9.150 48.199 73.007 1.00 33.32 C ATOM 1414 OE1 GLU A 91 -9.128 47.349 73.921 1.00 61.14 O ATOM 1415 OE2 GLU A 91 -10.125 48.357 72.242 1.00 51.20 O ATOM 0 H GLU A 91 -5.211 46.960 70.876 1.00 72.20 H new ATOM 0 HA GLU A 91 -6.862 49.293 70.453 1.00 23.40 H new ATOM 0 HB2 GLU A 91 -6.993 47.267 72.195 1.00 52.34 H new ATOM 0 HB3 GLU A 91 -5.967 48.318 73.151 1.00 52.34 H new ATOM 0 HG2 GLU A 91 -7.708 49.592 73.753 1.00 51.23 H new ATOM 0 HG3 GLU A 91 -8.166 49.858 72.082 1.00 51.23 H new ATOM 1422 N TYR A 92 -3.995 49.559 72.095 1.00 10.23 N ATOM 1423 CA TYR A 92 -2.956 50.502 72.488 1.00 73.22 C ATOM 1424 C TYR A 92 -2.633 51.463 71.348 1.00 42.00 C ATOM 1425 O TYR A 92 -2.758 52.680 71.490 1.00 4.32 O ATOM 1426 CB TYR A 92 -1.693 49.754 72.914 1.00 42.21 C ATOM 1427 CG TYR A 92 -1.692 49.345 74.370 1.00 72.43 C ATOM 1428 CD1 TYR A 92 -2.781 48.688 74.928 1.00 62.41 C ATOM 1429 CD2 TYR A 92 -0.602 49.618 75.188 1.00 35.15 C ATOM 1430 CE1 TYR A 92 -2.785 48.313 76.257 1.00 22.33 C ATOM 1431 CE2 TYR A 92 -0.597 49.246 76.518 1.00 4.33 C ATOM 1432 CZ TYR A 92 -1.691 48.594 77.048 1.00 14.44 C ATOM 1433 OH TYR A 92 -1.691 48.223 78.373 1.00 62.11 O ATOM 0 H TYR A 92 -3.820 48.596 72.381 1.00 10.23 H new ATOM 0 HA TYR A 92 -3.328 51.082 73.333 1.00 73.22 H new ATOM 0 HB2 TYR A 92 -1.582 48.863 72.295 1.00 42.21 H new ATOM 0 HB3 TYR A 92 -0.825 50.385 72.722 1.00 42.21 H new ATOM 0 HD1 TYR A 92 -3.640 48.467 74.312 1.00 62.41 H new ATOM 0 HD2 TYR A 92 0.256 50.130 74.777 1.00 35.15 H new ATOM 0 HE1 TYR A 92 -3.640 47.802 76.675 1.00 22.33 H new ATOM 0 HE2 TYR A 92 0.259 49.464 77.140 1.00 4.33 H new ATOM 0 HH TYR A 92 -0.846 48.494 78.788 1.00 62.11 H new ATOM 1443 N THR A 93 -2.215 50.907 70.215 1.00 33.22 N ATOM 1444 CA THR A 93 -1.873 51.712 69.049 1.00 42.32 C ATOM 1445 C THR A 93 -2.949 52.752 68.764 1.00 74.25 C ATOM 1446 O THR A 93 -2.648 53.878 68.366 1.00 51.52 O ATOM 1447 CB THR A 93 -1.680 50.834 67.798 1.00 20.03 C ATOM 1448 OG1 THR A 93 -1.145 51.620 66.727 1.00 1.33 O ATOM 1449 CG2 THR A 93 -2.999 50.210 67.366 1.00 3.42 C ATOM 0 H THR A 93 -2.105 49.902 70.080 1.00 33.22 H new ATOM 0 HA THR A 93 -0.935 52.217 69.278 1.00 42.32 H new ATOM 0 HB THR A 93 -0.982 50.034 68.046 1.00 20.03 H new ATOM 0 HG1 THR A 93 -0.168 51.649 66.799 1.00 1.33 H new ATOM 0 HG21 THR A 93 -2.838 49.595 66.481 1.00 3.42 H new ATOM 0 HG22 THR A 93 -3.390 49.590 68.173 1.00 3.42 H new ATOM 0 HG23 THR A 93 -3.716 50.998 67.134 1.00 3.42 H new ATOM 1457 N ALA A 94 -4.205 52.371 68.972 1.00 71.32 N ATOM 1458 CA ALA A 94 -5.325 53.274 68.740 1.00 31.23 C ATOM 1459 C ALA A 94 -5.428 54.318 69.847 1.00 12.33 C ATOM 1460 O ALA A 94 -5.810 55.461 69.601 1.00 74.13 O ATOM 1461 CB ALA A 94 -6.623 52.487 68.633 1.00 70.22 C ATOM 0 H ALA A 94 -4.472 51.443 69.301 1.00 71.32 H new ATOM 0 HA ALA A 94 -5.150 53.796 67.799 1.00 31.23 H new ATOM 0 HB1 ALA A 94 -7.452 53.174 68.460 1.00 70.22 H new ATOM 0 HB2 ALA A 94 -6.555 51.784 67.803 1.00 70.22 H new ATOM 0 HB3 ALA A 94 -6.794 51.939 69.560 1.00 70.22 H new ATOM 1467 N MET A 95 -5.085 53.916 71.066 1.00 35.21 N ATOM 1468 CA MET A 95 -5.139 54.817 72.211 1.00 71.44 C ATOM 1469 C MET A 95 -4.176 55.987 72.028 1.00 24.22 C ATOM 1470 O MET A 95 -4.348 57.046 72.631 1.00 40.22 O ATOM 1471 CB MET A 95 -4.802 54.063 73.499 1.00 33.23 C ATOM 1472 CG MET A 95 -5.287 54.763 74.758 1.00 63.11 C ATOM 1473 SD MET A 95 -5.108 53.742 76.233 1.00 50.21 S ATOM 1474 CE MET A 95 -6.163 52.356 75.816 1.00 44.04 C ATOM 0 H MET A 95 -4.767 52.972 71.286 1.00 35.21 H new ATOM 0 HA MET A 95 -6.153 55.210 72.283 1.00 71.44 H new ATOM 0 HB2 MET A 95 -5.244 53.068 73.454 1.00 33.23 H new ATOM 0 HB3 MET A 95 -3.722 53.930 73.560 1.00 33.23 H new ATOM 0 HG2 MET A 95 -4.728 55.689 74.892 1.00 63.11 H new ATOM 0 HG3 MET A 95 -6.335 55.037 74.636 1.00 63.11 H new ATOM 0 HE1 MET A 95 -6.530 51.890 76.730 1.00 44.04 H new ATOM 0 HE2 MET A 95 -7.008 52.707 75.223 1.00 44.04 H new ATOM 0 HE3 MET A 95 -5.594 51.626 75.240 1.00 44.04 H new ATOM 1484 N LEU A 96 -3.163 55.787 71.192 1.00 71.22 N ATOM 1485 CA LEU A 96 -2.171 56.825 70.929 1.00 34.23 C ATOM 1486 C LEU A 96 -2.789 57.982 70.151 1.00 71.43 C ATOM 1487 O LEU A 96 -2.685 59.140 70.556 1.00 71.14 O ATOM 1488 CB LEU A 96 -0.990 56.244 70.150 1.00 51.11 C ATOM 1489 CG LEU A 96 -0.499 54.868 70.602 1.00 53.03 C ATOM 1490 CD1 LEU A 96 0.538 54.325 69.631 1.00 31.32 C ATOM 1491 CD2 LEU A 96 0.073 54.942 72.010 1.00 70.11 C ATOM 0 H LEU A 96 -3.007 54.916 70.685 1.00 71.22 H new ATOM 0 HA LEU A 96 -1.814 57.204 71.887 1.00 34.23 H new ATOM 0 HB2 LEU A 96 -1.270 56.180 69.099 1.00 51.11 H new ATOM 0 HB3 LEU A 96 -0.157 56.944 70.216 1.00 51.11 H new ATOM 0 HG LEU A 96 -1.349 54.186 70.612 1.00 53.03 H new ATOM 0 HD11 LEU A 96 0.875 53.345 69.969 1.00 31.32 H new ATOM 0 HD12 LEU A 96 0.095 54.234 68.639 1.00 31.32 H new ATOM 0 HD13 LEU A 96 1.388 55.006 69.588 1.00 31.32 H new ATOM 0 HD21 LEU A 96 0.417 53.954 72.315 1.00 70.11 H new ATOM 0 HD22 LEU A 96 0.911 55.639 72.026 1.00 70.11 H new ATOM 0 HD23 LEU A 96 -0.699 55.286 72.699 1.00 70.11 H new ATOM 1503 N ARG A 97 -3.432 57.661 69.034 1.00 20.10 N ATOM 1504 CA ARG A 97 -4.067 58.674 68.199 1.00 31.42 C ATOM 1505 C ARG A 97 -5.437 59.054 68.753 1.00 33.14 C ATOM 1506 O ARG A 97 -5.957 60.131 68.464 1.00 63.30 O ATOM 1507 CB ARG A 97 -4.208 58.167 66.763 1.00 61.31 C ATOM 1508 CG ARG A 97 -4.928 56.833 66.656 1.00 13.03 C ATOM 1509 CD ARG A 97 -4.097 55.810 65.898 1.00 65.31 C ATOM 1510 NE ARG A 97 -4.535 55.665 64.513 1.00 70.31 N ATOM 1511 CZ ARG A 97 -4.156 54.669 63.722 1.00 4.44 C ATOM 1512 NH1 ARG A 97 -3.335 53.732 64.177 1.00 65.32 N ATOM 1513 NH2 ARG A 97 -4.599 54.606 62.472 1.00 40.54 N ATOM 0 H ARG A 97 -3.527 56.707 68.686 1.00 20.10 H new ATOM 0 HA ARG A 97 -3.434 59.561 68.203 1.00 31.42 H new ATOM 0 HB2 ARG A 97 -4.748 58.910 66.176 1.00 61.31 H new ATOM 0 HB3 ARG A 97 -3.216 58.071 66.321 1.00 61.31 H new ATOM 0 HG2 ARG A 97 -5.148 56.456 67.655 1.00 13.03 H new ATOM 0 HG3 ARG A 97 -5.883 56.974 66.151 1.00 13.03 H new ATOM 0 HD2 ARG A 97 -3.049 56.109 65.917 1.00 65.31 H new ATOM 0 HD3 ARG A 97 -4.162 54.845 66.401 1.00 65.31 H new ATOM 0 HE ARG A 97 -5.168 56.368 64.132 1.00 70.31 H new ATOM 0 HH11 ARG A 97 -2.993 53.776 65.137 1.00 65.32 H new ATOM 0 HH12 ARG A 97 -3.045 52.968 63.567 1.00 65.32 H new ATOM 0 HH21 ARG A 97 -5.232 55.324 62.118 1.00 40.54 H new ATOM 0 HH22 ARG A 97 -4.307 53.840 61.865 1.00 40.54 H new ATOM 1527 N GLU A 98 -6.016 58.161 69.550 1.00 4.22 N ATOM 1528 CA GLU A 98 -7.327 58.403 70.142 1.00 25.12 C ATOM 1529 C GLU A 98 -7.204 59.246 71.407 1.00 54.40 C ATOM 1530 O GLU A 98 -7.836 60.296 71.530 1.00 43.01 O ATOM 1531 CB GLU A 98 -8.017 57.076 70.466 1.00 25.11 C ATOM 1532 CG GLU A 98 -9.311 57.237 71.246 1.00 71.12 C ATOM 1533 CD GLU A 98 -10.223 56.033 71.120 1.00 22.42 C ATOM 1534 OE1 GLU A 98 -9.768 54.911 71.426 1.00 31.21 O ATOM 1535 OE2 GLU A 98 -11.391 56.212 70.715 1.00 71.13 O ATOM 0 H GLU A 98 -5.599 57.265 69.800 1.00 4.22 H new ATOM 0 HA GLU A 98 -7.930 58.951 69.418 1.00 25.12 H new ATOM 0 HB2 GLU A 98 -8.227 56.549 69.535 1.00 25.11 H new ATOM 0 HB3 GLU A 98 -7.332 56.451 71.039 1.00 25.11 H new ATOM 0 HG2 GLU A 98 -9.078 57.403 72.298 1.00 71.12 H new ATOM 0 HG3 GLU A 98 -9.836 58.124 70.892 1.00 71.12 H new ATOM 1542 N ARG A 99 -6.388 58.779 72.347 1.00 61.11 N ATOM 1543 CA ARG A 99 -6.183 59.489 73.603 1.00 32.25 C ATOM 1544 C ARG A 99 -5.067 60.520 73.470 1.00 21.31 C ATOM 1545 O ARG A 99 -5.225 61.676 73.863 1.00 53.15 O ATOM 1546 CB ARG A 99 -5.849 58.502 74.723 1.00 71.10 C ATOM 1547 CG ARG A 99 -5.794 59.139 76.101 1.00 54.15 C ATOM 1548 CD ARG A 99 -6.984 58.730 76.954 1.00 25.35 C ATOM 1549 NE ARG A 99 -7.381 59.783 77.883 1.00 50.24 N ATOM 1550 CZ ARG A 99 -8.137 60.820 77.541 1.00 21.53 C ATOM 1551 NH1 ARG A 99 -8.577 60.941 76.295 1.00 13.50 N ATOM 1552 NH2 ARG A 99 -8.455 61.738 78.444 1.00 74.42 N ATOM 0 H ARG A 99 -5.858 57.912 72.262 1.00 61.11 H new ATOM 0 HA ARG A 99 -7.108 60.010 73.851 1.00 32.25 H new ATOM 0 HB2 ARG A 99 -6.595 57.707 74.729 1.00 71.10 H new ATOM 0 HB3 ARG A 99 -4.887 58.035 74.509 1.00 71.10 H new ATOM 0 HG2 ARG A 99 -4.870 58.848 76.601 1.00 54.15 H new ATOM 0 HG3 ARG A 99 -5.773 60.224 76.000 1.00 54.15 H new ATOM 0 HD2 ARG A 99 -7.825 58.482 76.307 1.00 25.35 H new ATOM 0 HD3 ARG A 99 -6.736 57.828 77.514 1.00 25.35 H new ATOM 0 HE ARG A 99 -7.060 59.719 78.849 1.00 50.24 H new ATOM 0 HH11 ARG A 99 -8.335 60.237 75.598 1.00 13.50 H new ATOM 0 HH12 ARG A 99 -9.158 61.738 76.034 1.00 13.50 H new ATOM 0 HH21 ARG A 99 -8.119 61.648 79.403 1.00 74.42 H new ATOM 0 HH22 ARG A 99 -9.036 62.534 78.180 1.00 74.42 H new ATOM 1566 N PHE A 100 -3.939 60.094 72.913 1.00 52.55 N ATOM 1567 CA PHE A 100 -2.794 60.980 72.729 1.00 33.54 C ATOM 1568 C PHE A 100 -2.505 61.767 74.004 1.00 13.21 C ATOM 1569 O PHE A 100 -2.043 62.906 73.951 1.00 60.34 O ATOM 1570 CB PHE A 100 -3.050 61.943 71.568 1.00 51.42 C ATOM 1571 CG PHE A 100 -4.243 62.830 71.777 1.00 60.33 C ATOM 1572 CD1 PHE A 100 -5.503 62.430 71.361 1.00 2.51 C ATOM 1573 CD2 PHE A 100 -4.106 64.067 72.388 1.00 11.22 C ATOM 1574 CE1 PHE A 100 -6.603 63.244 71.553 1.00 3.35 C ATOM 1575 CE2 PHE A 100 -5.203 64.884 72.582 1.00 63.14 C ATOM 1576 CZ PHE A 100 -6.452 64.473 72.163 1.00 32.14 C ATOM 0 H PHE A 100 -3.792 59.141 72.581 1.00 52.55 H new ATOM 0 HA PHE A 100 -1.924 60.366 72.498 1.00 33.54 H new ATOM 0 HB2 PHE A 100 -2.167 62.564 71.420 1.00 51.42 H new ATOM 0 HB3 PHE A 100 -3.191 61.367 70.653 1.00 51.42 H new ATOM 0 HD1 PHE A 100 -5.627 61.470 70.881 1.00 2.51 H new ATOM 0 HD2 PHE A 100 -3.131 64.396 72.716 1.00 11.22 H new ATOM 0 HE1 PHE A 100 -7.580 62.919 71.226 1.00 3.35 H new ATOM 0 HE2 PHE A 100 -5.083 65.844 73.062 1.00 63.14 H new ATOM 0 HZ PHE A 100 -7.310 65.112 72.312 1.00 32.14 H new ATOM 1586 N ALA A 101 -2.783 61.152 75.149 1.00 21.55 N ATOM 1587 CA ALA A 101 -2.553 61.794 76.437 1.00 20.12 C ATOM 1588 C ALA A 101 -1.574 60.988 77.284 1.00 41.31 C ATOM 1589 O ALA A 101 -1.928 59.950 77.841 1.00 33.23 O ATOM 1590 CB ALA A 101 -3.869 61.976 77.178 1.00 53.52 C ATOM 0 H ALA A 101 -3.168 60.209 75.211 1.00 21.55 H new ATOM 0 HA ALA A 101 -2.113 62.774 76.254 1.00 20.12 H new ATOM 0 HB1 ALA A 101 -3.682 62.457 78.138 1.00 53.52 H new ATOM 0 HB2 ALA A 101 -4.538 62.599 76.584 1.00 53.52 H new ATOM 0 HB3 ALA A 101 -4.331 61.003 77.343 1.00 53.52 H new ATOM 1596 N GLY A 102 -0.340 61.473 77.376 1.00 61.35 N ATOM 1597 CA GLY A 102 0.672 60.785 78.155 1.00 55.55 C ATOM 1598 C GLY A 102 1.930 60.506 77.358 1.00 10.43 C ATOM 1599 O GLY A 102 3.042 60.729 77.838 1.00 71.13 O ATOM 0 H GLY A 102 -0.023 62.331 76.924 1.00 61.35 H new ATOM 0 HA2 GLY A 102 0.925 61.387 79.028 1.00 55.55 H new ATOM 0 HA3 GLY A 102 0.264 59.844 78.524 1.00 55.55 H new ATOM 1603 N LEU A 103 1.756 60.015 76.136 1.00 12.15 N ATOM 1604 CA LEU A 103 2.887 59.702 75.269 1.00 23.41 C ATOM 1605 C LEU A 103 3.704 60.955 74.968 1.00 22.15 C ATOM 1606 O LEU A 103 4.791 60.875 74.394 1.00 33.12 O ATOM 1607 CB LEU A 103 2.396 59.073 73.964 1.00 31.34 C ATOM 1608 CG LEU A 103 1.268 59.814 73.245 1.00 30.43 C ATOM 1609 CD1 LEU A 103 1.833 60.873 72.312 1.00 61.42 C ATOM 1610 CD2 LEU A 103 0.393 58.835 72.475 1.00 71.13 C ATOM 0 H LEU A 103 0.843 59.825 75.723 1.00 12.15 H new ATOM 0 HA LEU A 103 3.527 58.989 75.790 1.00 23.41 H new ATOM 0 HB2 LEU A 103 3.243 58.991 73.282 1.00 31.34 H new ATOM 0 HB3 LEU A 103 2.059 58.058 74.177 1.00 31.34 H new ATOM 0 HG LEU A 103 0.652 60.311 73.994 1.00 30.43 H new ATOM 0 HD11 LEU A 103 1.015 61.389 71.810 1.00 61.42 H new ATOM 0 HD12 LEU A 103 2.416 61.592 72.888 1.00 61.42 H new ATOM 0 HD13 LEU A 103 2.474 60.399 71.569 1.00 61.42 H new ATOM 0 HD21 LEU A 103 -0.404 59.380 71.970 1.00 71.13 H new ATOM 0 HD22 LEU A 103 0.998 58.309 71.736 1.00 71.13 H new ATOM 0 HD23 LEU A 103 -0.042 58.114 73.167 1.00 71.13 H new ATOM 1622 N ASP A 104 3.174 62.109 75.359 1.00 3.52 N ATOM 1623 CA ASP A 104 3.856 63.377 75.134 1.00 64.33 C ATOM 1624 C ASP A 104 4.869 63.655 76.241 1.00 21.14 C ATOM 1625 O ASP A 104 6.074 63.707 75.997 1.00 4.32 O ATOM 1626 CB ASP A 104 2.841 64.519 75.056 1.00 41.40 C ATOM 1627 CG ASP A 104 2.543 64.933 73.628 1.00 32.11 C ATOM 1628 OD1 ASP A 104 2.898 64.172 72.703 1.00 12.21 O ATOM 1629 OD2 ASP A 104 1.955 66.017 73.436 1.00 60.41 O ATOM 0 H ASP A 104 2.275 62.192 75.833 1.00 3.52 H new ATOM 0 HA ASP A 104 4.391 63.310 74.186 1.00 64.33 H new ATOM 0 HB2 ASP A 104 1.915 64.212 75.543 1.00 41.40 H new ATOM 0 HB3 ASP A 104 3.222 65.378 75.608 1.00 41.40 H new ATOM 1634 N THR A 105 4.369 63.834 77.460 1.00 50.04 N ATOM 1635 CA THR A 105 5.229 64.108 78.605 1.00 45.42 C ATOM 1636 C THR A 105 6.027 62.872 79.003 1.00 4.13 C ATOM 1637 O THR A 105 7.217 62.960 79.308 1.00 33.33 O ATOM 1638 CB THR A 105 4.413 64.591 79.819 1.00 4.14 C ATOM 1639 OG1 THR A 105 5.289 64.907 80.905 1.00 41.35 O ATOM 1640 CG2 THR A 105 3.416 63.528 80.257 1.00 41.30 C ATOM 0 H THR A 105 3.374 63.794 77.680 1.00 50.04 H new ATOM 0 HA THR A 105 5.916 64.898 78.301 1.00 45.42 H new ATOM 0 HB THR A 105 3.863 65.485 79.526 1.00 4.14 H new ATOM 0 HG1 THR A 105 4.762 65.215 81.672 1.00 41.35 H new ATOM 0 HG21 THR A 105 2.851 63.891 81.116 1.00 41.30 H new ATOM 0 HG22 THR A 105 2.731 63.312 79.437 1.00 41.30 H new ATOM 0 HG23 THR A 105 3.951 62.619 80.532 1.00 41.30 H new ATOM 1648 N ILE A 106 5.365 61.719 78.997 1.00 61.42 N ATOM 1649 CA ILE A 106 6.013 60.464 79.355 1.00 54.35 C ATOM 1650 C ILE A 106 6.484 60.484 80.806 1.00 23.25 C ATOM 1651 O ILE A 106 7.616 60.105 81.107 1.00 54.12 O ATOM 1652 CB ILE A 106 7.217 60.171 78.441 1.00 60.11 C ATOM 1653 CG1 ILE A 106 6.776 60.138 76.976 1.00 42.53 C ATOM 1654 CG2 ILE A 106 7.871 58.855 78.833 1.00 43.00 C ATOM 1655 CD1 ILE A 106 5.826 59.006 76.657 1.00 34.52 C ATOM 0 H ILE A 106 4.380 61.629 78.748 1.00 61.42 H new ATOM 0 HA ILE A 106 5.270 59.677 79.226 1.00 54.35 H new ATOM 0 HB ILE A 106 7.950 60.969 78.562 1.00 60.11 H new ATOM 0 HG12 ILE A 106 6.296 61.085 76.728 1.00 42.53 H new ATOM 0 HG13 ILE A 106 7.658 60.051 76.341 1.00 42.53 H new ATOM 0 HG21 ILE A 106 8.720 58.662 78.178 1.00 43.00 H new ATOM 0 HG22 ILE A 106 8.215 58.913 79.866 1.00 43.00 H new ATOM 0 HG23 ILE A 106 7.147 58.046 78.737 1.00 43.00 H new ATOM 0 HD11 ILE A 106 5.556 59.044 75.602 1.00 34.52 H new ATOM 0 HD12 ILE A 106 6.310 58.053 76.873 1.00 34.52 H new ATOM 0 HD13 ILE A 106 4.927 59.103 77.266 1.00 34.52 H new TER 1667 ILE A 106