USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.795 K(o=1.7,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.92 K(o=1.7,f=-0.67) USER MOD Set 2.1: A 20 SER OG : rot -68:sc= 1.14 USER MOD Set 2.2: A 55 THR OG1 : rot -98:sc= 1.6 USER MOD Set 2.3: A 57 SER OG : rot 1:sc= 1.15 USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 1.53 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.1: A 2 GLN : amide:sc= 0.864 K(o=2.8,f=0.92) USER MOD Set 4.2: A 14 THR OG1 : rot 25:sc= 1.9 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.41 (180deg=1.87) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 0.442 (180deg=0.213) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0.999) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.821 (180deg=0.76) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.13 K(o=1.1,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.7 K(o=1.7,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 0.89 (180deg=0.167) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 59 TYR OH : rot 11:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 1.33 (180deg=0.745) USER MOD Single : A 65 SER OG : rot 91:sc= 0.00242 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.870 52.054 19.511 1.00 0.00 N ATOM 2 CA MET A 1 33.046 51.749 20.938 1.00 0.00 C ATOM 3 C MET A 1 34.496 52.046 21.327 1.00 0.00 C ATOM 4 O MET A 1 35.402 51.627 20.611 1.00 0.00 O ATOM 5 CB MET A 1 32.622 50.315 21.244 1.00 0.00 C ATOM 6 CG MET A 1 32.629 49.981 22.734 1.00 0.00 C ATOM 7 SD MET A 1 34.211 49.407 23.402 1.00 0.00 S ATOM 8 CE MET A 1 34.242 47.700 22.801 1.00 0.00 C ATOM 0 H1 MET A 1 31.859 52.188 19.307 1.00 0.00 H new ATOM 0 H2 MET A 1 33.389 52.924 19.275 1.00 0.00 H new ATOM 0 H3 MET A 1 33.237 51.266 18.940 1.00 0.00 H new ATOM 0 HA MET A 1 32.399 52.382 21.545 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.620 50.149 20.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.289 49.628 20.723 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.322 50.868 23.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.877 49.214 22.919 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.159 47.214 23.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.382 47.160 23.196 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.204 47.697 21.712 1.00 0.00 H new ATOM 20 N GLN A 2 34.728 52.784 22.408 1.00 0.00 N ATOM 21 CA GLN A 2 36.037 53.302 22.753 1.00 0.00 C ATOM 22 C GLN A 2 36.742 52.461 23.819 1.00 0.00 C ATOM 23 O GLN A 2 36.154 52.161 24.856 1.00 0.00 O ATOM 24 CB GLN A 2 35.892 54.761 23.176 1.00 0.00 C ATOM 25 CG GLN A 2 37.244 55.441 23.366 1.00 0.00 C ATOM 26 CD GLN A 2 37.139 56.932 23.693 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.073 57.542 23.684 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.271 57.584 23.944 1.00 0.00 N ATOM 0 H GLN A 2 33.999 53.039 23.074 1.00 0.00 H new ATOM 0 HA GLN A 2 36.679 53.243 21.874 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.318 55.301 22.423 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.326 54.814 24.106 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.784 54.939 24.168 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.834 55.317 22.458 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.158 57.081 23.952 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.252 58.587 24.128 1.00 0.00 H new ATOM 37 N ILE A 3 38.023 52.168 23.609 1.00 0.00 N ATOM 38 CA ILE A 3 38.883 51.435 24.516 1.00 0.00 C ATOM 39 C ILE A 3 40.191 52.179 24.793 1.00 0.00 C ATOM 40 O ILE A 3 40.569 53.074 24.040 1.00 0.00 O ATOM 41 CB ILE A 3 39.153 50.027 23.996 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.834 50.025 22.629 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.867 49.206 23.985 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.371 48.662 22.202 1.00 0.00 C ATOM 0 H ILE A 3 38.507 52.452 22.757 1.00 0.00 H new ATOM 0 HA ILE A 3 38.354 51.352 25.465 1.00 0.00 H new ATOM 0 HB ILE A 3 39.856 49.557 24.684 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.123 50.374 21.880 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.657 50.739 22.644 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.078 48.204 23.611 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.469 49.139 24.998 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.133 49.687 23.338 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.839 48.746 21.221 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.108 48.318 22.928 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.550 47.947 22.152 1.00 0.00 H new ATOM 56 N PHE A 4 40.909 51.782 25.840 1.00 0.00 N ATOM 57 CA PHE A 4 42.220 52.298 26.178 1.00 0.00 C ATOM 58 C PHE A 4 43.278 51.201 26.298 1.00 0.00 C ATOM 59 O PHE A 4 43.010 50.136 26.850 1.00 0.00 O ATOM 60 CB PHE A 4 42.150 53.097 27.477 1.00 0.00 C ATOM 61 CG PHE A 4 41.124 54.204 27.500 1.00 0.00 C ATOM 62 CD1 PHE A 4 39.971 54.088 28.285 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.334 55.358 26.734 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.027 55.122 28.301 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.373 56.375 26.720 1.00 0.00 C ATOM 66 CZ PHE A 4 39.216 56.254 27.501 1.00 0.00 C ATOM 0 H PHE A 4 40.579 51.071 26.492 1.00 0.00 H new ATOM 0 HA PHE A 4 42.525 52.947 25.357 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.937 52.410 28.296 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.131 53.530 27.671 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.809 53.200 28.879 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.239 55.463 26.154 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.153 55.046 28.931 1.00 0.00 H new ATOM 0 HE2 PHE A 4 40.523 57.252 26.108 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.470 57.035 27.485 1.00 0.00 H new ATOM 76 N VAL A 5 44.495 51.469 25.834 1.00 0.00 N ATOM 77 CA VAL A 5 45.637 50.583 25.943 1.00 0.00 C ATOM 78 C VAL A 5 46.791 51.299 26.649 1.00 0.00 C ATOM 79 O VAL A 5 47.203 52.368 26.206 1.00 0.00 O ATOM 80 CB VAL A 5 46.074 50.042 24.584 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.167 48.988 24.742 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.926 49.395 23.815 1.00 0.00 C ATOM 0 H VAL A 5 44.715 52.342 25.355 1.00 0.00 H new ATOM 0 HA VAL A 5 45.337 49.723 26.542 1.00 0.00 H new ATOM 0 HB VAL A 5 46.440 50.905 24.028 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.461 48.618 23.760 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.031 49.431 25.236 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.790 48.160 25.343 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.292 49.027 22.856 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.524 48.563 24.393 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.141 50.132 23.645 1.00 0.00 H new ATOM 92 N LYS A 6 47.315 50.715 27.723 1.00 0.00 N ATOM 93 CA LYS A 6 48.423 51.216 28.510 1.00 0.00 C ATOM 94 C LYS A 6 49.706 50.414 28.286 1.00 0.00 C ATOM 95 O LYS A 6 49.659 49.195 28.138 1.00 0.00 O ATOM 96 CB LYS A 6 48.017 51.274 29.980 1.00 0.00 C ATOM 97 CG LYS A 6 49.147 51.784 30.870 1.00 0.00 C ATOM 98 CD LYS A 6 48.762 51.956 32.336 1.00 0.00 C ATOM 99 CE LYS A 6 49.967 52.399 33.161 1.00 0.00 C ATOM 100 NZ LYS A 6 50.980 51.339 33.284 1.00 0.00 N ATOM 0 H LYS A 6 46.954 49.831 28.082 1.00 0.00 H new ATOM 0 HA LYS A 6 48.657 52.227 28.178 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.149 51.924 30.090 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.716 50.280 30.312 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.986 51.091 30.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.495 52.742 30.483 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.964 52.693 32.424 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.372 51.016 32.728 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.418 53.277 32.699 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.634 52.697 34.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.656 51.590 34.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.515 50.440 33.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.486 51.236 32.381 1.00 0.00 H new ATOM 114 N THR A 7 50.856 51.082 28.311 1.00 0.00 N ATOM 115 CA THR A 7 52.175 50.483 28.290 1.00 0.00 C ATOM 116 C THR A 7 52.821 50.367 29.672 1.00 0.00 C ATOM 117 O THR A 7 52.481 51.076 30.616 1.00 0.00 O ATOM 118 CB THR A 7 53.129 51.255 27.382 1.00 0.00 C ATOM 119 OG1 THR A 7 53.390 52.528 27.929 1.00 0.00 O ATOM 120 CG2 THR A 7 52.602 51.448 25.963 1.00 0.00 C ATOM 0 H THR A 7 50.889 52.101 28.348 1.00 0.00 H new ATOM 0 HA THR A 7 52.012 49.477 27.905 1.00 0.00 H new ATOM 0 HB THR A 7 54.034 50.651 27.321 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.355 52.699 27.914 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.333 52.004 25.376 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.432 50.475 25.503 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.664 52.003 25.995 1.00 0.00 H new ATOM 128 N LEU A 8 53.861 49.542 29.758 1.00 0.00 N ATOM 129 CA LEU A 8 54.776 49.499 30.882 1.00 0.00 C ATOM 130 C LEU A 8 55.554 50.805 31.049 1.00 0.00 C ATOM 131 O LEU A 8 55.916 51.143 32.174 1.00 0.00 O ATOM 132 CB LEU A 8 55.736 48.324 30.727 1.00 0.00 C ATOM 133 CG LEU A 8 55.098 46.941 30.812 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.155 45.879 30.524 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.502 46.643 32.185 1.00 0.00 C ATOM 0 H LEU A 8 54.092 48.870 29.026 1.00 0.00 H new ATOM 0 HA LEU A 8 54.180 49.366 31.785 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.241 48.414 29.765 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.503 48.399 31.498 1.00 0.00 H new ATOM 0 HG LEU A 8 54.292 46.924 30.079 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.702 44.889 30.584 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.562 46.032 29.524 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.957 45.956 31.258 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.063 45.645 32.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.286 46.693 32.941 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.730 47.378 32.414 1.00 0.00 H new ATOM 147 N THR A 9 55.739 51.581 29.985 1.00 0.00 N ATOM 148 CA THR A 9 56.295 52.918 30.021 1.00 0.00 C ATOM 149 C THR A 9 55.306 53.978 30.516 1.00 0.00 C ATOM 150 O THR A 9 55.650 55.153 30.609 1.00 0.00 O ATOM 151 CB THR A 9 56.910 53.317 28.683 1.00 0.00 C ATOM 152 OG1 THR A 9 55.945 53.417 27.659 1.00 0.00 O ATOM 153 CG2 THR A 9 57.946 52.312 28.187 1.00 0.00 C ATOM 0 H THR A 9 55.495 51.279 29.042 1.00 0.00 H new ATOM 0 HA THR A 9 57.095 52.879 30.760 1.00 0.00 H new ATOM 0 HB THR A 9 57.375 54.283 28.881 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.383 53.676 26.821 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.350 52.647 27.232 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.754 52.233 28.915 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.475 51.337 28.060 1.00 0.00 H new ATOM 161 N GLY A 10 54.084 53.592 30.871 1.00 0.00 N ATOM 162 CA GLY A 10 53.080 54.447 31.472 1.00 0.00 C ATOM 163 C GLY A 10 52.233 55.266 30.496 1.00 0.00 C ATOM 164 O GLY A 10 51.414 56.064 30.945 1.00 0.00 O ATOM 0 H GLY A 10 53.758 52.634 30.740 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.413 53.827 32.071 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.577 55.134 32.157 1.00 0.00 H new ATOM 168 N LYS A 11 52.414 55.079 29.192 1.00 0.00 N ATOM 169 CA LYS A 11 51.727 55.799 28.138 1.00 0.00 C ATOM 170 C LYS A 11 50.378 55.145 27.834 1.00 0.00 C ATOM 171 O LYS A 11 50.314 53.919 27.772 1.00 0.00 O ATOM 172 CB LYS A 11 52.639 55.822 26.915 1.00 0.00 C ATOM 173 CG LYS A 11 52.179 56.767 25.809 1.00 0.00 C ATOM 174 CD LYS A 11 53.051 56.566 24.573 1.00 0.00 C ATOM 175 CE LYS A 11 52.634 57.414 23.374 1.00 0.00 C ATOM 176 NZ LYS A 11 51.361 56.963 22.790 1.00 0.00 N ATOM 0 H LYS A 11 53.074 54.390 28.831 1.00 0.00 H new ATOM 0 HA LYS A 11 51.513 56.823 28.446 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.642 56.110 27.229 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.709 54.813 26.509 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.134 56.577 25.565 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.244 57.801 26.149 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.085 56.800 24.828 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.023 55.514 24.288 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.542 58.455 23.682 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.415 57.375 22.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.032 57.662 22.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.500 56.045 22.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.650 56.863 23.542 1.00 0.00 H new ATOM 190 N THR A 12 49.326 55.929 27.614 1.00 0.00 N ATOM 191 CA THR A 12 48.006 55.433 27.284 1.00 0.00 C ATOM 192 C THR A 12 47.531 55.969 25.931 1.00 0.00 C ATOM 193 O THR A 12 47.523 57.181 25.723 1.00 0.00 O ATOM 194 CB THR A 12 46.966 55.777 28.346 1.00 0.00 C ATOM 195 OG1 THR A 12 47.411 55.405 29.631 1.00 0.00 O ATOM 196 CG2 THR A 12 45.642 55.050 28.121 1.00 0.00 C ATOM 0 H THR A 12 49.375 56.947 27.663 1.00 0.00 H new ATOM 0 HA THR A 12 48.101 54.348 27.237 1.00 0.00 H new ATOM 0 HB THR A 12 46.821 56.855 28.270 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.728 55.637 30.294 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.936 55.329 28.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.235 55.328 27.149 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.809 53.973 28.150 1.00 0.00 H new ATOM 204 N ILE A 13 47.058 55.090 25.053 1.00 0.00 N ATOM 205 CA ILE A 13 46.443 55.417 23.781 1.00 0.00 C ATOM 206 C ILE A 13 44.980 54.970 23.766 1.00 0.00 C ATOM 207 O ILE A 13 44.642 53.962 24.382 1.00 0.00 O ATOM 208 CB ILE A 13 47.272 54.856 22.628 1.00 0.00 C ATOM 209 CG1 ILE A 13 46.794 55.404 21.287 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.311 53.330 22.619 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.739 55.145 20.117 1.00 0.00 C ATOM 0 H ILE A 13 47.097 54.085 25.221 1.00 0.00 H new ATOM 0 HA ILE A 13 46.430 56.498 23.644 1.00 0.00 H new ATOM 0 HB ILE A 13 48.296 55.193 22.788 1.00 0.00 H new ATOM 0 HG12 ILE A 13 45.823 54.965 21.056 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.643 56.479 21.383 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.914 52.986 21.778 1.00 0.00 H new ATOM 0 HG22 ILE A 13 47.749 52.972 23.550 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.298 52.941 22.522 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.316 55.570 19.207 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.704 55.609 20.320 1.00 0.00 H new ATOM 0 HD13 ILE A 13 47.872 54.071 19.988 1.00 0.00 H new ATOM 223 N THR A 14 44.112 55.691 23.063 1.00 0.00 N ATOM 224 CA THR A 14 42.732 55.307 22.846 1.00 0.00 C ATOM 225 C THR A 14 42.460 54.878 21.403 1.00 0.00 C ATOM 226 O THR A 14 43.059 55.421 20.477 1.00 0.00 O ATOM 227 CB THR A 14 41.759 56.381 23.326 1.00 0.00 C ATOM 228 OG1 THR A 14 40.493 55.805 23.556 1.00 0.00 O ATOM 229 CG2 THR A 14 41.525 57.538 22.359 1.00 0.00 C ATOM 0 H THR A 14 44.359 56.576 22.621 1.00 0.00 H new ATOM 0 HA THR A 14 42.556 54.424 23.461 1.00 0.00 H new ATOM 0 HB THR A 14 42.231 56.785 24.222 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.598 54.850 23.749 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.819 58.242 22.798 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.470 58.046 22.164 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.119 57.154 21.423 1.00 0.00 H new ATOM 237 N LEU A 15 41.560 53.915 21.224 1.00 0.00 N ATOM 238 CA LEU A 15 41.114 53.422 19.936 1.00 0.00 C ATOM 239 C LEU A 15 39.591 53.294 19.881 1.00 0.00 C ATOM 240 O LEU A 15 38.946 53.001 20.885 1.00 0.00 O ATOM 241 CB LEU A 15 41.759 52.071 19.637 1.00 0.00 C ATOM 242 CG LEU A 15 43.275 52.057 19.473 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.765 50.617 19.347 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.752 52.820 18.241 1.00 0.00 C ATOM 0 H LEU A 15 41.107 53.442 22.006 1.00 0.00 H new ATOM 0 HA LEU A 15 41.420 54.145 19.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.497 51.384 20.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.314 51.676 18.723 1.00 0.00 H new ATOM 0 HG LEU A 15 43.682 52.548 20.357 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.849 50.610 19.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.494 50.060 20.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.303 50.150 18.477 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.839 52.772 18.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.320 52.373 17.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.438 53.861 18.314 1.00 0.00 H new ATOM 256 N GLU A 16 39.035 53.453 18.683 1.00 0.00 N ATOM 257 CA GLU A 16 37.660 53.142 18.351 1.00 0.00 C ATOM 258 C GLU A 16 37.575 51.788 17.643 1.00 0.00 C ATOM 259 O GLU A 16 38.291 51.523 16.680 1.00 0.00 O ATOM 260 CB GLU A 16 37.054 54.250 17.494 1.00 0.00 C ATOM 261 CG GLU A 16 36.502 55.422 18.300 1.00 0.00 C ATOM 262 CD GLU A 16 35.150 55.159 18.966 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.492 54.133 18.690 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.699 56.022 19.751 1.00 0.00 O ATOM 0 H GLU A 16 39.558 53.818 17.887 1.00 0.00 H new ATOM 0 HA GLU A 16 37.083 53.077 19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.814 54.621 16.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.252 53.829 16.887 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.226 55.688 19.070 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.406 56.285 17.641 1.00 0.00 H new ATOM 271 N VAL A 17 36.696 50.926 18.147 1.00 0.00 N ATOM 272 CA VAL A 17 36.483 49.550 17.749 1.00 0.00 C ATOM 273 C VAL A 17 34.994 49.200 17.734 1.00 0.00 C ATOM 274 O VAL A 17 34.190 49.835 18.413 1.00 0.00 O ATOM 275 CB VAL A 17 37.249 48.585 18.649 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.760 48.713 18.471 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.928 48.755 20.131 1.00 0.00 C ATOM 0 H VAL A 17 36.068 51.200 18.903 1.00 0.00 H new ATOM 0 HA VAL A 17 36.868 49.445 16.735 1.00 0.00 H new ATOM 0 HB VAL A 17 36.918 47.596 18.333 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.265 48.008 19.131 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.024 48.495 17.436 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.071 49.728 18.719 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.507 48.038 20.713 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.183 49.767 20.445 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.865 48.581 20.295 1.00 0.00 H new ATOM 287 N GLU A 18 34.608 48.169 16.987 1.00 0.00 N ATOM 288 CA GLU A 18 33.284 47.587 17.057 1.00 0.00 C ATOM 289 C GLU A 18 33.186 46.546 18.174 1.00 0.00 C ATOM 290 O GLU A 18 34.174 45.858 18.418 1.00 0.00 O ATOM 291 CB GLU A 18 32.887 47.001 15.705 1.00 0.00 C ATOM 292 CG GLU A 18 32.652 48.052 14.625 1.00 0.00 C ATOM 293 CD GLU A 18 31.437 48.929 14.937 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.293 48.448 14.790 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.611 50.096 15.348 1.00 0.00 O ATOM 0 H GLU A 18 35.219 47.713 16.309 1.00 0.00 H new ATOM 0 HA GLU A 18 32.577 48.380 17.302 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.669 46.319 15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.979 46.410 15.828 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.538 48.680 14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.507 47.559 13.664 1.00 0.00 H new ATOM 302 N PRO A 19 32.058 46.363 18.856 1.00 0.00 N ATOM 303 CA PRO A 19 32.010 45.615 20.095 1.00 0.00 C ATOM 304 C PRO A 19 32.396 44.136 20.015 1.00 0.00 C ATOM 305 O PRO A 19 32.761 43.564 21.040 1.00 0.00 O ATOM 306 CB PRO A 19 30.595 45.773 20.644 1.00 0.00 C ATOM 307 CG PRO A 19 30.113 47.078 20.017 1.00 0.00 C ATOM 308 CD PRO A 19 30.795 47.044 18.653 1.00 0.00 C ATOM 0 HA PRO A 19 32.777 46.029 20.750 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.959 44.934 20.362 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.590 45.825 21.733 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.027 47.112 19.930 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.413 47.947 20.602 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.181 46.518 17.922 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.952 48.052 18.270 1.00 0.00 H new ATOM 316 N SER A 20 32.331 43.528 18.834 1.00 0.00 N ATOM 317 CA SER A 20 32.722 42.161 18.555 1.00 0.00 C ATOM 318 C SER A 20 33.842 42.041 17.519 1.00 0.00 C ATOM 319 O SER A 20 33.963 41.000 16.875 1.00 0.00 O ATOM 320 CB SER A 20 31.512 41.310 18.177 1.00 0.00 C ATOM 321 OG SER A 20 30.522 41.350 19.180 1.00 0.00 O ATOM 0 H SER A 20 31.984 44.008 18.004 1.00 0.00 H new ATOM 0 HA SER A 20 33.141 41.771 19.483 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.094 41.667 17.236 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.827 40.279 18.015 1.00 0.00 H new ATOM 0 HG SER A 20 30.851 40.893 19.982 1.00 0.00 H new ATOM 327 N ASP A 21 34.679 43.057 17.335 1.00 0.00 N ATOM 328 CA ASP A 21 35.876 42.937 16.528 1.00 0.00 C ATOM 329 C ASP A 21 36.895 41.979 17.149 1.00 0.00 C ATOM 330 O ASP A 21 36.920 41.776 18.361 1.00 0.00 O ATOM 331 CB ASP A 21 36.486 44.303 16.224 1.00 0.00 C ATOM 332 CG ASP A 21 37.409 44.315 15.004 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.442 43.320 14.247 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.036 45.364 14.742 1.00 0.00 O ATOM 0 H ASP A 21 34.542 43.982 17.742 1.00 0.00 H new ATOM 0 HA ASP A 21 35.578 42.499 15.576 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.682 45.021 16.065 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.048 44.641 17.095 1.00 0.00 H new ATOM 339 N THR A 22 37.734 41.358 16.325 1.00 0.00 N ATOM 340 CA THR A 22 38.735 40.395 16.737 1.00 0.00 C ATOM 341 C THR A 22 39.985 41.102 17.263 1.00 0.00 C ATOM 342 O THR A 22 40.443 42.065 16.651 1.00 0.00 O ATOM 343 CB THR A 22 39.064 39.441 15.592 1.00 0.00 C ATOM 344 OG1 THR A 22 37.914 38.715 15.220 1.00 0.00 O ATOM 345 CG2 THR A 22 40.095 38.381 15.966 1.00 0.00 C ATOM 0 H THR A 22 37.731 41.521 15.318 1.00 0.00 H new ATOM 0 HA THR A 22 38.330 39.800 17.556 1.00 0.00 H new ATOM 0 HB THR A 22 39.451 40.077 14.796 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.135 38.107 14.484 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.282 37.737 15.107 1.00 0.00 H new ATOM 0 HG22 THR A 22 41.024 38.867 16.265 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.716 37.781 16.794 1.00 0.00 H new ATOM 353 N ILE A 23 40.578 40.614 18.349 1.00 0.00 N ATOM 354 CA ILE A 23 41.722 41.233 18.987 1.00 0.00 C ATOM 355 C ILE A 23 42.912 41.377 18.036 1.00 0.00 C ATOM 356 O ILE A 23 43.603 42.392 18.062 1.00 0.00 O ATOM 357 CB ILE A 23 42.080 40.485 20.269 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.019 40.652 21.354 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.443 40.875 20.832 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.832 42.052 21.932 1.00 0.00 C ATOM 0 H ILE A 23 40.267 39.761 18.814 1.00 0.00 H new ATOM 0 HA ILE A 23 41.447 42.251 19.262 1.00 0.00 H new ATOM 0 HB ILE A 23 42.124 39.436 19.975 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.063 40.324 20.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.264 39.977 22.174 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.636 40.308 21.742 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.217 40.656 20.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.451 41.941 21.060 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.050 42.031 22.691 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.766 42.387 22.383 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.546 42.739 21.136 1.00 0.00 H new ATOM 372 N GLU A 24 43.116 40.443 17.110 1.00 0.00 N ATOM 373 CA GLU A 24 44.123 40.515 16.070 1.00 0.00 C ATOM 374 C GLU A 24 44.018 41.767 15.196 1.00 0.00 C ATOM 375 O GLU A 24 45.035 42.348 14.820 1.00 0.00 O ATOM 376 CB GLU A 24 44.010 39.244 15.234 1.00 0.00 C ATOM 377 CG GLU A 24 45.165 39.049 14.255 1.00 0.00 C ATOM 378 CD GLU A 24 45.563 37.572 14.233 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.036 36.800 13.404 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.356 37.149 15.103 1.00 0.00 O ATOM 0 H GLU A 24 42.562 39.588 17.067 1.00 0.00 H new ATOM 0 HA GLU A 24 45.103 40.591 16.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.962 38.384 15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.073 39.268 14.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.870 39.373 13.257 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.016 39.663 14.551 1.00 0.00 H new ATOM 387 N ASN A 25 42.808 42.245 14.925 1.00 0.00 N ATOM 388 CA ASN A 25 42.573 43.480 14.203 1.00 0.00 C ATOM 389 C ASN A 25 42.701 44.718 15.093 1.00 0.00 C ATOM 390 O ASN A 25 43.021 45.795 14.595 1.00 0.00 O ATOM 391 CB ASN A 25 41.220 43.402 13.503 1.00 0.00 C ATOM 392 CG ASN A 25 41.169 42.258 12.488 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.729 41.152 12.794 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.643 42.459 11.262 1.00 0.00 N ATOM 0 H ASN A 25 41.950 41.772 15.209 1.00 0.00 H new ATOM 0 HA ASN A 25 43.352 43.594 13.449 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.434 43.264 14.246 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.018 44.346 12.997 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.640 41.698 10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.010 43.374 11.001 1.00 0.00 H new ATOM 401 N VAL A 26 42.542 44.596 16.408 1.00 0.00 N ATOM 402 CA VAL A 26 42.887 45.653 17.338 1.00 0.00 C ATOM 403 C VAL A 26 44.407 45.807 17.426 1.00 0.00 C ATOM 404 O VAL A 26 44.917 46.924 17.371 1.00 0.00 O ATOM 405 CB VAL A 26 42.258 45.458 18.715 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.473 46.687 19.593 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.754 45.213 18.629 1.00 0.00 C ATOM 0 H VAL A 26 42.169 43.758 16.854 1.00 0.00 H new ATOM 0 HA VAL A 26 42.466 46.580 16.948 1.00 0.00 H new ATOM 0 HB VAL A 26 42.747 44.585 19.148 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.015 46.522 20.568 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.542 46.862 19.719 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.016 47.556 19.120 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.349 45.080 19.632 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.273 46.068 18.154 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.565 44.316 18.039 1.00 0.00 H new ATOM 417 N LYS A 27 45.160 44.710 17.418 1.00 0.00 N ATOM 418 CA LYS A 27 46.604 44.719 17.298 1.00 0.00 C ATOM 419 C LYS A 27 47.082 45.332 15.980 1.00 0.00 C ATOM 420 O LYS A 27 48.080 46.050 15.987 1.00 0.00 O ATOM 421 CB LYS A 27 47.162 43.313 17.494 1.00 0.00 C ATOM 422 CG LYS A 27 46.960 42.815 18.923 1.00 0.00 C ATOM 423 CD LYS A 27 47.384 41.360 19.098 1.00 0.00 C ATOM 424 CE LYS A 27 48.891 41.166 18.969 1.00 0.00 C ATOM 425 NZ LYS A 27 49.247 39.746 18.828 1.00 0.00 N ATOM 0 H LYS A 27 44.768 43.772 17.497 1.00 0.00 H new ATOM 0 HA LYS A 27 46.991 45.361 18.089 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.675 42.629 16.799 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.225 43.308 17.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.532 43.442 19.607 1.00 0.00 H new ATOM 0 HG3 LYS A 27 45.910 42.920 19.196 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.059 41.006 20.076 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.878 40.746 18.353 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.256 41.720 18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.388 41.580 19.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.282 39.646 18.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.847 39.207 19.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.864 39.379 17.933 1.00 0.00 H new ATOM 439 N ALA A 28 46.342 45.159 14.890 1.00 0.00 N ATOM 440 CA ALA A 28 46.601 45.839 13.637 1.00 0.00 C ATOM 441 C ALA A 28 46.400 47.354 13.711 1.00 0.00 C ATOM 442 O ALA A 28 47.052 48.094 12.979 1.00 0.00 O ATOM 443 CB ALA A 28 45.726 45.234 12.542 1.00 0.00 C ATOM 0 H ALA A 28 45.537 44.534 14.857 1.00 0.00 H new ATOM 0 HA ALA A 28 47.655 45.690 13.403 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.919 45.744 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.957 44.174 12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.676 45.351 12.809 1.00 0.00 H new ATOM 449 N LYS A 29 45.548 47.856 14.601 1.00 0.00 N ATOM 450 CA LYS A 29 45.369 49.273 14.842 1.00 0.00 C ATOM 451 C LYS A 29 46.500 49.828 15.709 1.00 0.00 C ATOM 452 O LYS A 29 47.030 50.893 15.396 1.00 0.00 O ATOM 453 CB LYS A 29 44.001 49.555 15.455 1.00 0.00 C ATOM 454 CG LYS A 29 42.850 49.181 14.525 1.00 0.00 C ATOM 455 CD LYS A 29 41.506 49.103 15.245 1.00 0.00 C ATOM 456 CE LYS A 29 40.571 48.109 14.563 1.00 0.00 C ATOM 457 NZ LYS A 29 40.151 48.542 13.222 1.00 0.00 N ATOM 0 H LYS A 29 44.952 47.270 15.185 1.00 0.00 H new ATOM 0 HA LYS A 29 45.409 49.788 13.882 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.904 49.000 16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.931 50.614 15.706 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.784 49.916 13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.064 48.219 14.060 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.663 48.806 16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.042 50.089 15.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.070 47.143 14.487 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.688 47.964 15.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.518 47.828 12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.649 49.450 13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.988 48.655 12.615 1.00 0.00 H new ATOM 471 N ILE A 30 46.955 49.087 16.715 1.00 0.00 N ATOM 472 CA ILE A 30 48.134 49.402 17.497 1.00 0.00 C ATOM 473 C ILE A 30 49.380 49.448 16.611 1.00 0.00 C ATOM 474 O ILE A 30 50.196 50.360 16.737 1.00 0.00 O ATOM 475 CB ILE A 30 48.287 48.430 18.663 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.109 48.539 19.626 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.595 48.651 19.417 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.036 47.428 20.668 1.00 0.00 C ATOM 0 H ILE A 30 46.496 48.226 17.013 1.00 0.00 H new ATOM 0 HA ILE A 30 48.012 50.397 17.925 1.00 0.00 H new ATOM 0 HB ILE A 30 48.305 47.426 18.238 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.165 49.498 20.140 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.184 48.540 19.049 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.666 47.939 20.239 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.435 48.506 18.738 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.620 49.666 19.813 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.168 47.586 21.309 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.946 46.464 20.167 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.942 47.438 21.275 1.00 0.00 H new ATOM 490 N GLN A 31 49.511 48.528 15.660 1.00 0.00 N ATOM 491 CA GLN A 31 50.546 48.526 14.645 1.00 0.00 C ATOM 492 C GLN A 31 50.494 49.780 13.771 1.00 0.00 C ATOM 493 O GLN A 31 51.515 50.430 13.561 1.00 0.00 O ATOM 494 CB GLN A 31 50.385 47.253 13.819 1.00 0.00 C ATOM 495 CG GLN A 31 51.343 47.107 12.640 1.00 0.00 C ATOM 496 CD GLN A 31 51.074 45.835 11.834 1.00 0.00 C ATOM 497 OE1 GLN A 31 49.985 45.267 11.834 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.071 45.303 11.131 1.00 0.00 N ATOM 0 H GLN A 31 48.873 47.737 15.577 1.00 0.00 H new ATOM 0 HA GLN A 31 51.527 48.541 15.119 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.515 46.395 14.478 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.363 47.213 13.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.250 47.975 11.988 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.369 47.093 13.007 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.984 45.757 11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.922 44.441 10.607 1.00 0.00 H new ATOM 507 N ASP A 32 49.317 50.157 13.281 1.00 0.00 N ATOM 508 CA ASP A 32 49.173 51.325 12.436 1.00 0.00 C ATOM 509 C ASP A 32 49.427 52.645 13.166 1.00 0.00 C ATOM 510 O ASP A 32 50.083 53.521 12.608 1.00 0.00 O ATOM 511 CB ASP A 32 47.806 51.304 11.756 1.00 0.00 C ATOM 512 CG ASP A 32 47.700 52.389 10.683 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.519 52.385 9.738 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.808 53.259 10.787 1.00 0.00 O ATOM 0 H ASP A 32 48.444 49.661 13.460 1.00 0.00 H new ATOM 0 HA ASP A 32 49.952 51.272 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.637 50.326 11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.025 51.450 12.502 1.00 0.00 H new ATOM 519 N LYS A 33 48.971 52.792 14.407 1.00 0.00 N ATOM 520 CA LYS A 33 49.178 53.990 15.195 1.00 0.00 C ATOM 521 C LYS A 33 50.591 54.101 15.770 1.00 0.00 C ATOM 522 O LYS A 33 51.236 55.131 15.585 1.00 0.00 O ATOM 523 CB LYS A 33 48.135 54.096 16.304 1.00 0.00 C ATOM 524 CG LYS A 33 46.690 54.249 15.837 1.00 0.00 C ATOM 525 CD LYS A 33 46.482 55.444 14.911 1.00 0.00 C ATOM 526 CE LYS A 33 44.994 55.640 14.637 1.00 0.00 C ATOM 527 NZ LYS A 33 44.776 56.713 13.655 1.00 0.00 N ATOM 0 H LYS A 33 48.441 52.069 14.894 1.00 0.00 H new ATOM 0 HA LYS A 33 49.059 54.830 14.510 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.204 53.206 16.929 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.387 54.949 16.935 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.383 53.339 15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.043 54.355 16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.898 56.343 15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.015 55.285 13.973 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.563 54.710 14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.478 55.882 15.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.756 56.827 13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.168 57.604 14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.250 56.468 12.762 1.00 0.00 H new ATOM 541 N GLU A 34 51.075 53.076 16.466 1.00 0.00 N ATOM 542 CA GLU A 34 52.269 53.131 17.286 1.00 0.00 C ATOM 543 C GLU A 34 53.468 52.404 16.674 1.00 0.00 C ATOM 544 O GLU A 34 54.573 52.509 17.204 1.00 0.00 O ATOM 545 CB GLU A 34 51.960 52.612 18.688 1.00 0.00 C ATOM 546 CG GLU A 34 50.930 53.424 19.466 1.00 0.00 C ATOM 547 CD GLU A 34 51.494 54.731 20.026 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.942 54.741 21.192 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.489 55.761 19.318 1.00 0.00 O ATOM 0 H GLU A 34 50.629 52.159 16.471 1.00 0.00 H new ATOM 0 HA GLU A 34 52.567 54.178 17.344 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.605 51.585 18.608 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.887 52.585 19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.086 53.649 18.814 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.545 52.820 20.288 1.00 0.00 H new ATOM 556 N GLY A 35 53.307 51.698 15.558 1.00 0.00 N ATOM 557 CA GLY A 35 54.396 51.101 14.813 1.00 0.00 C ATOM 558 C GLY A 35 54.920 49.768 15.351 1.00 0.00 C ATOM 559 O GLY A 35 55.976 49.318 14.911 1.00 0.00 O ATOM 0 H GLY A 35 52.392 51.525 15.142 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.068 50.952 13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.223 51.810 14.785 1.00 0.00 H new ATOM 563 N ILE A 36 54.222 49.135 16.290 1.00 0.00 N ATOM 564 CA ILE A 36 54.665 47.953 17.000 1.00 0.00 C ATOM 565 C ILE A 36 54.189 46.703 16.258 1.00 0.00 C ATOM 566 O ILE A 36 52.980 46.565 16.079 1.00 0.00 O ATOM 567 CB ILE A 36 54.154 47.976 18.438 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.457 49.278 19.174 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.754 46.810 19.219 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.595 49.493 20.414 1.00 0.00 C ATOM 0 H ILE A 36 53.297 49.449 16.584 1.00 0.00 H new ATOM 0 HA ILE A 36 55.754 47.937 17.038 1.00 0.00 H new ATOM 0 HB ILE A 36 53.069 47.889 18.377 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.507 49.285 19.466 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.311 50.114 18.491 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.386 46.831 20.245 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.465 45.870 18.749 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.841 46.895 19.222 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.866 50.438 20.886 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.544 49.519 20.126 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.759 48.676 21.117 1.00 0.00 H new ATOM 582 N PRO A 37 55.043 45.769 15.848 1.00 0.00 N ATOM 583 CA PRO A 37 54.617 44.591 15.122 1.00 0.00 C ATOM 584 C PRO A 37 53.699 43.677 15.937 1.00 0.00 C ATOM 585 O PRO A 37 54.045 43.363 17.073 1.00 0.00 O ATOM 586 CB PRO A 37 55.890 43.863 14.699 1.00 0.00 C ATOM 587 CG PRO A 37 56.957 44.954 14.708 1.00 0.00 C ATOM 588 CD PRO A 37 56.489 45.852 15.850 1.00 0.00 C ATOM 0 HA PRO A 37 54.016 44.887 14.262 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.137 43.057 15.389 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.785 43.415 13.711 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.952 44.549 14.890 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.000 45.490 13.760 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.899 45.518 16.803 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.822 46.879 15.702 1.00 0.00 H new ATOM 596 N PRO A 38 52.569 43.203 15.419 1.00 0.00 N ATOM 597 CA PRO A 38 51.654 42.338 16.138 1.00 0.00 C ATOM 598 C PRO A 38 52.240 41.038 16.692 1.00 0.00 C ATOM 599 O PRO A 38 51.720 40.526 17.681 1.00 0.00 O ATOM 600 CB PRO A 38 50.522 42.026 15.163 1.00 0.00 C ATOM 601 CG PRO A 38 50.474 43.267 14.276 1.00 0.00 C ATOM 602 CD PRO A 38 51.947 43.659 14.193 1.00 0.00 C ATOM 0 HA PRO A 38 51.338 42.870 17.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.726 41.125 14.584 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.577 41.865 15.682 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.054 43.050 13.294 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.866 44.058 14.715 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.421 43.201 13.325 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.055 44.738 14.083 1.00 0.00 H new ATOM 610 N ASP A 39 53.321 40.518 16.119 1.00 0.00 N ATOM 611 CA ASP A 39 54.018 39.350 16.617 1.00 0.00 C ATOM 612 C ASP A 39 54.964 39.653 17.782 1.00 0.00 C ATOM 613 O ASP A 39 55.405 38.740 18.477 1.00 0.00 O ATOM 614 CB ASP A 39 54.680 38.593 15.470 1.00 0.00 C ATOM 615 CG ASP A 39 56.093 39.041 15.089 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.282 40.198 14.654 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.010 38.193 15.136 1.00 0.00 O ATOM 0 H ASP A 39 53.742 40.910 15.277 1.00 0.00 H new ATOM 0 HA ASP A 39 53.272 38.686 17.054 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.715 37.536 15.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.044 38.681 14.589 1.00 0.00 H new ATOM 622 N GLN A 40 55.247 40.929 18.025 1.00 0.00 N ATOM 623 CA GLN A 40 55.951 41.450 19.180 1.00 0.00 C ATOM 624 C GLN A 40 54.990 41.946 20.263 1.00 0.00 C ATOM 625 O GLN A 40 55.336 41.908 21.443 1.00 0.00 O ATOM 626 CB GLN A 40 56.880 42.558 18.693 1.00 0.00 C ATOM 627 CG GLN A 40 57.952 42.939 19.710 1.00 0.00 C ATOM 628 CD GLN A 40 58.873 44.028 19.158 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.834 45.190 19.558 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.725 43.719 18.184 1.00 0.00 N ATOM 0 H GLN A 40 54.972 41.668 17.378 1.00 0.00 H new ATOM 0 HA GLN A 40 56.531 40.656 19.650 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.363 42.238 17.770 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.287 43.440 18.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.479 43.289 20.628 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.540 42.059 19.970 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.776 42.762 17.835 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.328 44.439 17.786 1.00 0.00 H new ATOM 639 N GLN A 41 53.790 42.380 19.891 1.00 0.00 N ATOM 640 CA GLN A 41 52.723 42.752 20.798 1.00 0.00 C ATOM 641 C GLN A 41 52.143 41.536 21.523 1.00 0.00 C ATOM 642 O GLN A 41 51.766 40.559 20.880 1.00 0.00 O ATOM 643 CB GLN A 41 51.568 43.414 20.053 1.00 0.00 C ATOM 644 CG GLN A 41 51.808 44.754 19.364 1.00 0.00 C ATOM 645 CD GLN A 41 50.542 45.218 18.640 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.426 45.087 19.136 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.626 45.744 17.422 1.00 0.00 N ATOM 0 H GLN A 41 53.530 42.484 18.910 1.00 0.00 H new ATOM 0 HA GLN A 41 53.170 43.442 21.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.218 42.712 19.296 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.752 43.550 20.763 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.107 45.500 20.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.628 44.662 18.652 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.538 45.867 16.981 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.779 46.025 16.928 1.00 0.00 H new ATOM 656 N ARG A 42 51.957 41.636 22.837 1.00 0.00 N ATOM 657 CA ARG A 42 51.136 40.746 23.632 1.00 0.00 C ATOM 658 C ARG A 42 50.192 41.570 24.511 1.00 0.00 C ATOM 659 O ARG A 42 50.658 42.466 25.211 1.00 0.00 O ATOM 660 CB ARG A 42 52.055 39.825 24.428 1.00 0.00 C ATOM 661 CG ARG A 42 51.300 38.811 25.284 1.00 0.00 C ATOM 662 CD ARG A 42 52.257 37.847 25.980 1.00 0.00 C ATOM 663 NE ARG A 42 52.764 36.817 25.074 1.00 0.00 N ATOM 664 CZ ARG A 42 53.625 35.841 25.397 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.262 35.784 26.575 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.882 34.885 24.494 1.00 0.00 N ATOM 0 H ARG A 42 52.395 42.371 23.393 1.00 0.00 H new ATOM 0 HA ARG A 42 50.503 40.117 23.005 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.710 39.292 23.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.694 40.429 25.072 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.703 39.335 26.030 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.606 38.249 24.658 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.095 38.407 26.395 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.745 37.372 26.817 1.00 0.00 H new ATOM 0 HE ARG A 42 52.433 36.843 24.110 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.101 36.506 27.277 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.907 35.018 26.769 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.426 34.909 23.582 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.534 34.133 24.719 1.00 0.00 H new ATOM 680 N LEU A 43 48.892 41.292 24.461 1.00 0.00 N ATOM 681 CA LEU A 43 47.875 42.021 25.191 1.00 0.00 C ATOM 682 C LEU A 43 47.376 41.258 26.419 1.00 0.00 C ATOM 683 O LEU A 43 47.107 40.061 26.344 1.00 0.00 O ATOM 684 CB LEU A 43 46.722 42.387 24.262 1.00 0.00 C ATOM 685 CG LEU A 43 47.062 43.386 23.160 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.852 43.560 22.247 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.423 44.763 23.712 1.00 0.00 C ATOM 0 H LEU A 43 48.513 40.533 23.895 1.00 0.00 H new ATOM 0 HA LEU A 43 48.332 42.938 25.564 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.347 41.474 23.799 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.910 42.797 24.862 1.00 0.00 H new ATOM 0 HG LEU A 43 47.923 42.987 22.624 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.091 44.273 21.458 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.591 42.600 21.801 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.008 43.931 22.828 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.656 45.436 22.887 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.580 45.161 24.277 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.291 44.677 24.366 1.00 0.00 H new ATOM 699 N ILE A 44 47.233 41.971 27.533 1.00 0.00 N ATOM 700 CA ILE A 44 46.813 41.474 28.828 1.00 0.00 C ATOM 701 C ILE A 44 45.605 42.274 29.317 1.00 0.00 C ATOM 702 O ILE A 44 45.637 43.504 29.336 1.00 0.00 O ATOM 703 CB ILE A 44 47.949 41.548 29.844 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.321 41.091 29.356 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.573 40.815 31.128 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.467 39.628 28.947 1.00 0.00 C ATOM 0 H ILE A 44 47.421 42.973 27.550 1.00 0.00 H new ATOM 0 HA ILE A 44 46.533 40.426 28.722 1.00 0.00 H new ATOM 0 HB ILE A 44 48.068 42.616 30.029 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.598 41.709 28.502 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.045 41.294 30.145 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.397 40.880 31.839 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.683 41.272 31.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.370 39.768 30.903 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.491 39.441 28.622 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.234 38.987 29.798 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.781 39.409 28.129 1.00 0.00 H new ATOM 718 N PHE A 45 44.541 41.607 29.756 1.00 0.00 N ATOM 719 CA PHE A 45 43.360 42.228 30.318 1.00 0.00 C ATOM 720 C PHE A 45 42.828 41.415 31.500 1.00 0.00 C ATOM 721 O PHE A 45 42.702 40.197 31.403 1.00 0.00 O ATOM 722 CB PHE A 45 42.298 42.379 29.232 1.00 0.00 C ATOM 723 CG PHE A 45 40.987 42.975 29.687 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.957 44.245 30.273 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.795 42.259 29.521 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.742 44.796 30.698 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.579 42.807 29.947 1.00 0.00 C ATOM 728 CZ PHE A 45 38.552 44.077 30.535 1.00 0.00 C ATOM 0 H PHE A 45 44.482 40.589 29.727 1.00 0.00 H new ATOM 0 HA PHE A 45 43.622 43.217 30.694 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.704 43.002 28.435 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.101 41.397 28.801 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.874 44.802 30.398 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.814 41.281 29.063 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.723 45.776 31.152 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.662 42.250 29.822 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.614 44.502 30.862 1.00 0.00 H new ATOM 738 N ALA A 46 42.523 42.076 32.614 1.00 0.00 N ATOM 739 CA ALA A 46 42.098 41.448 33.848 1.00 0.00 C ATOM 740 C ALA A 46 43.046 40.347 34.328 1.00 0.00 C ATOM 741 O ALA A 46 42.628 39.255 34.707 1.00 0.00 O ATOM 742 CB ALA A 46 40.630 41.047 33.736 1.00 0.00 C ATOM 0 H ALA A 46 42.568 43.093 32.678 1.00 0.00 H new ATOM 0 HA ALA A 46 42.163 42.175 34.658 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.310 40.574 34.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.024 41.934 33.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.506 40.346 32.911 1.00 0.00 H new ATOM 748 N GLY A 47 44.349 40.608 34.272 1.00 0.00 N ATOM 749 CA GLY A 47 45.400 39.691 34.665 1.00 0.00 C ATOM 750 C GLY A 47 45.618 38.496 33.735 1.00 0.00 C ATOM 751 O GLY A 47 46.396 37.609 34.078 1.00 0.00 O ATOM 0 H GLY A 47 44.710 41.501 33.937 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.335 40.247 34.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.175 39.315 35.663 1.00 0.00 H new ATOM 755 N LYS A 48 44.940 38.432 32.594 1.00 0.00 N ATOM 756 CA LYS A 48 44.911 37.295 31.696 1.00 0.00 C ATOM 757 C LYS A 48 45.430 37.669 30.305 1.00 0.00 C ATOM 758 O LYS A 48 45.067 38.709 29.762 1.00 0.00 O ATOM 759 CB LYS A 48 43.489 36.742 31.649 1.00 0.00 C ATOM 760 CG LYS A 48 43.118 36.016 32.938 1.00 0.00 C ATOM 761 CD LYS A 48 41.646 35.618 32.982 1.00 0.00 C ATOM 762 CE LYS A 48 40.718 36.768 33.366 1.00 0.00 C ATOM 763 NZ LYS A 48 40.760 37.055 34.808 1.00 0.00 N ATOM 0 H LYS A 48 44.371 39.210 32.259 1.00 0.00 H new ATOM 0 HA LYS A 48 45.578 36.518 32.069 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.788 37.558 31.477 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.393 36.057 30.806 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.735 35.123 33.039 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.343 36.657 33.790 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.352 35.234 32.005 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.519 34.804 33.696 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.001 37.662 32.810 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.697 36.522 33.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.808 37.313 35.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.088 36.211 35.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.414 37.844 34.986 1.00 0.00 H new ATOM 777 N GLN A 49 46.261 36.810 29.723 1.00 0.00 N ATOM 778 CA GLN A 49 46.797 36.970 28.386 1.00 0.00 C ATOM 779 C GLN A 49 45.715 36.703 27.338 1.00 0.00 C ATOM 780 O GLN A 49 45.029 35.684 27.386 1.00 0.00 O ATOM 781 CB GLN A 49 48.010 36.061 28.211 1.00 0.00 C ATOM 782 CG GLN A 49 48.658 36.138 26.832 1.00 0.00 C ATOM 783 CD GLN A 49 49.837 35.175 26.673 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.477 34.758 27.634 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.186 34.788 25.449 1.00 0.00 N ATOM 0 H GLN A 49 46.586 35.961 30.186 1.00 0.00 H new ATOM 0 HA GLN A 49 47.127 37.999 28.243 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.754 36.319 28.964 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.708 35.031 28.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.909 35.916 26.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.001 37.157 26.654 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.665 35.125 24.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.975 34.154 25.320 1.00 0.00 H new ATOM 794 N LEU A 50 45.589 37.610 26.373 1.00 0.00 N ATOM 795 CA LEU A 50 44.658 37.495 25.269 1.00 0.00 C ATOM 796 C LEU A 50 45.307 36.732 24.111 1.00 0.00 C ATOM 797 O LEU A 50 46.371 37.105 23.621 1.00 0.00 O ATOM 798 CB LEU A 50 44.171 38.876 24.839 1.00 0.00 C ATOM 799 CG LEU A 50 43.560 39.742 25.937 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.989 41.016 25.320 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.432 39.027 26.677 1.00 0.00 C ATOM 0 H LEU A 50 46.147 38.463 26.342 1.00 0.00 H new ATOM 0 HA LEU A 50 43.785 36.927 25.591 1.00 0.00 H new ATOM 0 HB2 LEU A 50 45.011 39.416 24.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.430 38.749 24.050 1.00 0.00 H new ATOM 0 HG LEU A 50 44.354 39.966 26.649 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.552 41.635 26.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.786 41.568 24.823 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.220 40.755 24.593 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.029 39.684 27.448 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.642 38.768 25.972 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.818 38.119 27.139 1.00 0.00 H new ATOM 813 N GLU A 51 44.639 35.677 23.654 1.00 0.00 N ATOM 814 CA GLU A 51 44.868 35.100 22.344 1.00 0.00 C ATOM 815 C GLU A 51 44.133 35.932 21.292 1.00 0.00 C ATOM 816 O GLU A 51 43.000 36.362 21.493 1.00 0.00 O ATOM 817 CB GLU A 51 44.377 33.655 22.291 1.00 0.00 C ATOM 818 CG GLU A 51 45.259 32.708 23.101 1.00 0.00 C ATOM 819 CD GLU A 51 44.379 31.626 23.731 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.881 30.739 23.004 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.081 31.715 24.942 1.00 0.00 O ATOM 0 H GLU A 51 43.917 35.198 24.192 1.00 0.00 H new ATOM 0 HA GLU A 51 45.939 35.105 22.142 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.356 33.608 22.669 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.349 33.322 21.253 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.013 32.253 22.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.791 33.259 23.876 1.00 0.00 H new ATOM 828 N ASP A 52 44.775 36.158 20.149 1.00 0.00 N ATOM 829 CA ASP A 52 44.394 37.213 19.232 1.00 0.00 C ATOM 830 C ASP A 52 43.171 36.861 18.383 1.00 0.00 C ATOM 831 O ASP A 52 42.448 37.755 17.949 1.00 0.00 O ATOM 832 CB ASP A 52 45.605 37.569 18.375 1.00 0.00 C ATOM 833 CG ASP A 52 46.918 37.664 19.155 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.059 38.516 20.059 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.855 36.891 18.863 1.00 0.00 O ATOM 0 H ASP A 52 45.576 35.609 19.837 1.00 0.00 H new ATOM 0 HA ASP A 52 44.085 38.083 19.812 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.714 36.820 17.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.419 38.523 17.881 1.00 0.00 H new ATOM 840 N GLY A 53 42.884 35.577 18.188 1.00 0.00 N ATOM 841 CA GLY A 53 41.797 35.071 17.374 1.00 0.00 C ATOM 842 C GLY A 53 40.399 35.081 17.998 1.00 0.00 C ATOM 843 O GLY A 53 39.499 34.475 17.420 1.00 0.00 O ATOM 0 H GLY A 53 43.432 34.831 18.616 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.762 35.655 16.455 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.034 34.045 17.091 1.00 0.00 H new ATOM 847 N ARG A 54 40.188 35.722 19.144 1.00 0.00 N ATOM 848 CA ARG A 54 38.897 35.881 19.782 1.00 0.00 C ATOM 849 C ARG A 54 38.502 37.354 19.905 1.00 0.00 C ATOM 850 O ARG A 54 39.338 38.234 19.714 1.00 0.00 O ATOM 851 CB ARG A 54 38.828 35.094 21.087 1.00 0.00 C ATOM 852 CG ARG A 54 38.983 33.597 20.841 1.00 0.00 C ATOM 853 CD ARG A 54 38.570 32.684 21.993 1.00 0.00 C ATOM 854 NE ARG A 54 39.449 32.718 23.161 1.00 0.00 N ATOM 855 CZ ARG A 54 40.668 32.178 23.288 1.00 0.00 C ATOM 856 NH1 ARG A 54 41.336 31.614 22.273 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.274 32.172 24.483 1.00 0.00 N ATOM 0 H ARG A 54 40.945 36.160 19.669 1.00 0.00 H new ATOM 0 HA ARG A 54 38.134 35.443 19.139 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.612 35.437 21.762 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.875 35.287 21.580 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.395 33.330 19.963 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.026 33.395 20.599 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.563 32.957 22.308 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.522 31.659 21.624 1.00 0.00 H new ATOM 0 HE ARG A 54 39.090 33.213 23.978 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.918 31.580 21.343 1.00 0.00 H new ATOM 0 HH12 ARG A 54 42.263 31.218 22.430 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.807 32.578 25.294 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.202 31.761 24.582 1.00 0.00 H new ATOM 871 N THR A 55 37.221 37.636 20.125 1.00 0.00 N ATOM 872 CA THR A 55 36.678 38.974 20.010 1.00 0.00 C ATOM 873 C THR A 55 36.701 39.794 21.301 1.00 0.00 C ATOM 874 O THR A 55 36.778 39.264 22.407 1.00 0.00 O ATOM 875 CB THR A 55 35.276 38.999 19.409 1.00 0.00 C ATOM 876 OG1 THR A 55 34.333 38.521 20.343 1.00 0.00 O ATOM 877 CG2 THR A 55 35.135 38.200 18.116 1.00 0.00 C ATOM 0 H THR A 55 36.531 36.933 20.390 1.00 0.00 H new ATOM 0 HA THR A 55 37.368 39.458 19.319 1.00 0.00 H new ATOM 0 HB THR A 55 35.088 40.044 19.161 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.143 37.577 20.162 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.109 38.270 17.755 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.812 38.603 17.363 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.383 37.156 18.305 1.00 0.00 H new ATOM 885 N LEU A 56 36.551 41.107 21.152 1.00 0.00 N ATOM 886 CA LEU A 56 36.314 42.040 22.235 1.00 0.00 C ATOM 887 C LEU A 56 35.137 41.612 23.115 1.00 0.00 C ATOM 888 O LEU A 56 35.272 41.615 24.337 1.00 0.00 O ATOM 889 CB LEU A 56 36.073 43.420 21.630 1.00 0.00 C ATOM 890 CG LEU A 56 37.328 44.078 21.064 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.928 45.182 20.089 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.178 44.723 22.154 1.00 0.00 C ATOM 0 H LEU A 56 36.594 41.561 20.239 1.00 0.00 H new ATOM 0 HA LEU A 56 37.188 42.062 22.886 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.331 43.333 20.836 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.647 44.071 22.394 1.00 0.00 H new ATOM 0 HG LEU A 56 37.906 43.294 20.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.824 45.652 19.684 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.344 44.754 19.275 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.330 45.929 20.611 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.061 45.179 21.705 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.594 45.489 22.665 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.487 43.963 22.872 1.00 0.00 H new ATOM 904 N SER A 57 34.017 41.185 22.540 1.00 0.00 N ATOM 905 CA SER A 57 32.891 40.675 23.297 1.00 0.00 C ATOM 906 C SER A 57 33.157 39.321 23.956 1.00 0.00 C ATOM 907 O SER A 57 32.708 39.125 25.084 1.00 0.00 O ATOM 908 CB SER A 57 31.608 40.661 22.470 1.00 0.00 C ATOM 909 OG SER A 57 31.735 39.962 21.252 1.00 0.00 O ATOM 0 H SER A 57 33.869 41.185 21.531 1.00 0.00 H new ATOM 0 HA SER A 57 32.748 41.378 24.117 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.810 40.209 23.059 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.308 41.688 22.262 1.00 0.00 H new ATOM 0 HG SER A 57 32.640 39.593 21.180 1.00 0.00 H new ATOM 915 N ASP A 58 33.929 38.429 23.345 1.00 0.00 N ATOM 916 CA ASP A 58 34.327 37.176 23.955 1.00 0.00 C ATOM 917 C ASP A 58 35.217 37.372 25.184 1.00 0.00 C ATOM 918 O ASP A 58 35.087 36.639 26.163 1.00 0.00 O ATOM 919 CB ASP A 58 35.027 36.264 22.951 1.00 0.00 C ATOM 920 CG ASP A 58 34.108 35.791 21.824 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.990 35.315 22.118 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.487 35.923 20.640 1.00 0.00 O ATOM 0 H ASP A 58 34.297 38.562 22.403 1.00 0.00 H new ATOM 0 HA ASP A 58 33.404 36.700 24.287 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.877 36.793 22.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.425 35.395 23.475 1.00 0.00 H new ATOM 927 N TYR A 59 36.077 38.386 25.191 1.00 0.00 N ATOM 928 CA TYR A 59 36.826 38.814 26.354 1.00 0.00 C ATOM 929 C TYR A 59 36.093 39.826 27.237 1.00 0.00 C ATOM 930 O TYR A 59 36.644 40.269 28.243 1.00 0.00 O ATOM 931 CB TYR A 59 38.202 39.312 25.921 1.00 0.00 C ATOM 932 CG TYR A 59 39.074 38.253 25.290 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.545 38.421 23.982 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.449 37.127 26.031 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.417 37.482 23.420 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.303 36.168 25.474 1.00 0.00 C ATOM 937 CZ TYR A 59 40.803 36.353 24.169 1.00 0.00 C ATOM 938 OH TYR A 59 41.676 35.446 23.642 1.00 0.00 O ATOM 0 H TYR A 59 36.273 38.945 24.361 1.00 0.00 H new ATOM 0 HA TYR A 59 36.945 37.942 26.997 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.073 40.130 25.212 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.718 39.721 26.790 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.234 39.279 23.405 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.078 36.997 27.037 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.792 37.622 22.417 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.577 35.291 26.041 1.00 0.00 H new ATOM 0 HH TYR A 59 42.075 35.812 22.825 1.00 0.00 H new ATOM 948 N ASN A 60 34.848 40.164 26.915 1.00 0.00 N ATOM 949 CA ASN A 60 33.991 41.076 27.647 1.00 0.00 C ATOM 950 C ASN A 60 34.594 42.464 27.871 1.00 0.00 C ATOM 951 O ASN A 60 34.552 43.023 28.964 1.00 0.00 O ATOM 952 CB ASN A 60 33.471 40.355 28.888 1.00 0.00 C ATOM 953 CG ASN A 60 32.207 40.966 29.496 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.596 41.896 28.975 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.759 40.399 30.613 1.00 0.00 N ATOM 0 H ASN A 60 34.389 39.784 26.087 1.00 0.00 H new ATOM 0 HA ASN A 60 33.126 41.336 27.037 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.269 39.315 28.630 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.256 40.349 29.644 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.899 40.736 31.046 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.275 39.628 31.036 1.00 0.00 H new ATOM 962 N ILE A 61 35.192 43.019 26.822 1.00 0.00 N ATOM 963 CA ILE A 61 35.750 44.356 26.772 1.00 0.00 C ATOM 964 C ILE A 61 34.661 45.319 26.295 1.00 0.00 C ATOM 965 O ILE A 61 34.091 45.142 25.221 1.00 0.00 O ATOM 966 CB ILE A 61 37.012 44.386 25.915 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.118 43.546 26.550 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.497 45.819 25.717 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.271 43.198 25.614 1.00 0.00 C ATOM 0 H ILE A 61 35.304 42.518 25.940 1.00 0.00 H new ATOM 0 HA ILE A 61 36.068 44.679 27.763 1.00 0.00 H new ATOM 0 HB ILE A 61 36.765 43.962 24.942 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.516 44.084 27.410 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.682 42.621 26.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.398 45.817 25.103 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.721 46.400 25.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.720 46.265 26.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.008 42.601 26.151 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.892 42.629 24.765 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.739 44.115 25.256 1.00 0.00 H new ATOM 981 N GLN A 62 34.358 46.315 27.123 1.00 0.00 N ATOM 982 CA GLN A 62 33.282 47.270 26.959 1.00 0.00 C ATOM 983 C GLN A 62 33.800 48.709 26.933 1.00 0.00 C ATOM 984 O GLN A 62 34.979 48.958 27.180 1.00 0.00 O ATOM 985 CB GLN A 62 32.286 47.071 28.098 1.00 0.00 C ATOM 986 CG GLN A 62 31.655 45.682 28.142 1.00 0.00 C ATOM 987 CD GLN A 62 30.560 45.565 29.204 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.957 46.541 29.645 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.258 44.353 29.662 1.00 0.00 N ATOM 0 H GLN A 62 34.893 46.481 27.975 1.00 0.00 H new ATOM 0 HA GLN A 62 32.794 47.098 26.000 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.792 47.258 29.045 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.494 47.815 28.007 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.234 45.447 27.164 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.430 44.942 28.341 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.751 43.535 29.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.533 44.242 30.371 1.00 0.00 H new ATOM 998 N LYS A 63 32.923 49.673 26.666 1.00 0.00 N ATOM 999 CA LYS A 63 33.260 51.077 26.546 1.00 0.00 C ATOM 1000 C LYS A 63 34.005 51.640 27.758 1.00 0.00 C ATOM 1001 O LYS A 63 33.618 51.413 28.902 1.00 0.00 O ATOM 1002 CB LYS A 63 32.021 51.885 26.172 1.00 0.00 C ATOM 1003 CG LYS A 63 30.965 52.068 27.257 1.00 0.00 C ATOM 1004 CD LYS A 63 31.104 53.412 27.967 1.00 0.00 C ATOM 1005 CE LYS A 63 30.143 53.488 29.149 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.260 54.778 29.847 1.00 0.00 N ATOM 0 H LYS A 63 31.930 49.487 26.524 1.00 0.00 H new ATOM 0 HA LYS A 63 33.980 51.169 25.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.346 52.873 25.844 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.548 51.405 25.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.972 51.993 26.813 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.050 51.262 27.986 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.129 53.543 28.314 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.897 54.223 27.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.120 53.352 28.799 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.352 52.675 29.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.033 54.650 30.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.232 55.136 29.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.598 55.461 29.427 1.00 0.00 H new ATOM 1020 N GLU A 64 35.072 52.390 27.494 1.00 0.00 N ATOM 1021 CA GLU A 64 35.998 52.966 28.448 1.00 0.00 C ATOM 1022 C GLU A 64 36.799 51.971 29.290 1.00 0.00 C ATOM 1023 O GLU A 64 37.450 52.382 30.249 1.00 0.00 O ATOM 1024 CB GLU A 64 35.341 54.033 29.319 1.00 0.00 C ATOM 1025 CG GLU A 64 34.668 55.186 28.577 1.00 0.00 C ATOM 1026 CD GLU A 64 33.981 56.088 29.604 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.674 56.884 30.274 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.751 55.980 29.795 1.00 0.00 O ATOM 0 H GLU A 64 35.325 52.625 26.534 1.00 0.00 H new ATOM 0 HA GLU A 64 36.746 53.443 27.815 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.595 53.549 29.950 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.099 54.448 29.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.405 55.752 28.008 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.940 54.803 27.862 1.00 0.00 H new ATOM 1035 N SER A 65 36.781 50.680 28.972 1.00 0.00 N ATOM 1036 CA SER A 65 37.662 49.712 29.594 1.00 0.00 C ATOM 1037 C SER A 65 39.111 49.896 29.138 1.00 0.00 C ATOM 1038 O SER A 65 39.383 50.293 28.006 1.00 0.00 O ATOM 1039 CB SER A 65 37.196 48.277 29.369 1.00 0.00 C ATOM 1040 OG SER A 65 35.977 48.063 30.044 1.00 0.00 O ATOM 0 H SER A 65 36.153 50.281 28.275 1.00 0.00 H new ATOM 0 HA SER A 65 37.621 49.899 30.667 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.071 48.088 28.303 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.951 47.578 29.730 1.00 0.00 H new ATOM 0 HG SER A 65 35.230 48.268 29.444 1.00 0.00 H new ATOM 1046 N THR A 66 40.048 49.571 30.024 1.00 0.00 N ATOM 1047 CA THR A 66 41.474 49.711 29.810 1.00 0.00 C ATOM 1048 C THR A 66 42.146 48.337 29.846 1.00 0.00 C ATOM 1049 O THR A 66 41.843 47.527 30.719 1.00 0.00 O ATOM 1050 CB THR A 66 42.103 50.646 30.840 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.433 51.886 30.873 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.575 50.945 30.568 1.00 0.00 C ATOM 0 H THR A 66 39.821 49.190 30.942 1.00 0.00 H new ATOM 0 HA THR A 66 41.629 50.155 28.827 1.00 0.00 H new ATOM 0 HB THR A 66 42.015 50.116 31.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.853 52.467 31.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.958 51.615 31.338 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.143 50.015 30.580 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.676 51.419 29.592 1.00 0.00 H new ATOM 1060 N LEU A 67 43.088 48.084 28.941 1.00 0.00 N ATOM 1061 CA LEU A 67 43.920 46.899 28.910 1.00 0.00 C ATOM 1062 C LEU A 67 45.400 47.258 28.760 1.00 0.00 C ATOM 1063 O LEU A 67 45.740 48.412 28.508 1.00 0.00 O ATOM 1064 CB LEU A 67 43.415 45.912 27.862 1.00 0.00 C ATOM 1065 CG LEU A 67 43.491 46.375 26.410 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.817 45.202 25.491 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.172 46.966 25.921 1.00 0.00 C ATOM 0 H LEU A 67 43.296 48.731 28.180 1.00 0.00 H new ATOM 0 HA LEU A 67 43.843 46.389 29.870 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.986 44.988 27.958 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.377 45.670 28.091 1.00 0.00 H new ATOM 0 HG LEU A 67 44.270 47.137 26.378 1.00 0.00 H new ATOM 0 HD11 LEU A 67 43.867 45.551 24.460 1.00 0.00 H new ATOM 0 HD12 LEU A 67 44.777 44.773 25.776 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.040 44.443 25.580 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.277 47.281 24.883 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.387 46.214 25.994 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.909 47.827 26.536 1.00 0.00 H new ATOM 1079 N HIS A 68 46.286 46.278 28.916 1.00 0.00 N ATOM 1080 CA HIS A 68 47.719 46.475 29.000 1.00 0.00 C ATOM 1081 C HIS A 68 48.466 45.792 27.852 1.00 0.00 C ATOM 1082 O HIS A 68 48.079 44.717 27.403 1.00 0.00 O ATOM 1083 CB HIS A 68 48.194 45.984 30.365 1.00 0.00 C ATOM 1084 CG HIS A 68 47.612 46.751 31.520 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.131 47.931 32.049 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.491 46.401 32.228 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.325 48.269 33.059 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.327 47.379 33.189 1.00 0.00 N ATOM 0 H HIS A 68 46.012 45.298 28.989 1.00 0.00 H new ATOM 0 HA HIS A 68 47.942 47.537 28.899 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.935 44.931 30.473 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.281 46.051 30.407 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.864 45.537 32.067 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.457 49.139 33.685 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.577 47.419 33.879 1.00 0.00 H new ATOM 1096 N LEU A 69 49.550 46.410 27.389 1.00 0.00 N ATOM 1097 CA LEU A 69 50.386 45.949 26.300 1.00 0.00 C ATOM 1098 C LEU A 69 51.806 45.652 26.786 1.00 0.00 C ATOM 1099 O LEU A 69 52.389 46.429 27.539 1.00 0.00 O ATOM 1100 CB LEU A 69 50.344 47.004 25.199 1.00 0.00 C ATOM 1101 CG LEU A 69 51.301 46.810 24.026 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.043 45.541 23.219 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.181 47.992 23.067 1.00 0.00 C ATOM 0 H LEU A 69 49.880 47.289 27.788 1.00 0.00 H new ATOM 0 HA LEU A 69 50.013 45.007 25.898 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.328 47.045 24.806 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.551 47.975 25.650 1.00 0.00 H new ATOM 0 HG LEU A 69 52.295 46.731 24.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.764 45.475 22.404 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.147 44.670 23.867 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.033 45.569 22.809 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.865 47.852 22.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.159 48.055 22.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.433 48.913 23.592 1.00 0.00 H new ATOM 1115 N VAL A 70 52.386 44.552 26.313 1.00 0.00 N ATOM 1116 CA VAL A 70 53.761 44.154 26.539 1.00 0.00 C ATOM 1117 C VAL A 70 54.436 43.891 25.192 1.00 0.00 C ATOM 1118 O VAL A 70 53.845 43.257 24.320 1.00 0.00 O ATOM 1119 CB VAL A 70 53.814 42.923 27.438 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.249 42.480 27.712 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.150 43.173 28.788 1.00 0.00 C ATOM 0 H VAL A 70 51.878 43.884 25.733 1.00 0.00 H new ATOM 0 HA VAL A 70 54.298 44.955 27.047 1.00 0.00 H new ATOM 0 HB VAL A 70 53.277 42.145 26.895 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.242 41.601 28.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.741 42.236 26.770 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.791 43.287 28.206 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.211 42.270 29.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.660 43.990 29.299 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.104 43.438 28.635 1.00 0.00 H new ATOM 1131 N LEU A 71 55.671 44.357 25.023 1.00 0.00 N ATOM 1132 CA LEU A 71 56.519 44.020 23.899 1.00 0.00 C ATOM 1133 C LEU A 71 57.435 42.865 24.308 1.00 0.00 C ATOM 1134 O LEU A 71 58.280 43.039 25.183 1.00 0.00 O ATOM 1135 CB LEU A 71 57.319 45.236 23.437 1.00 0.00 C ATOM 1136 CG LEU A 71 56.560 46.279 22.621 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.433 46.971 23.382 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.534 47.363 22.167 1.00 0.00 C ATOM 0 H LEU A 71 56.114 44.995 25.684 1.00 0.00 H new ATOM 0 HA LEU A 71 55.906 43.707 23.053 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.733 45.727 24.318 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.162 44.884 22.842 1.00 0.00 H new ATOM 0 HG LEU A 71 56.112 45.736 21.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.946 47.696 22.730 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.704 46.229 23.708 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.843 47.483 24.252 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.999 48.112 21.583 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.984 47.837 23.040 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.316 46.916 21.553 1.00 0.00 H new ATOM 1150 N ARG A 72 57.267 41.682 23.723 1.00 0.00 N ATOM 1151 CA ARG A 72 57.877 40.452 24.185 1.00 0.00 C ATOM 1152 C ARG A 72 59.407 40.497 24.191 1.00 0.00 C ATOM 1153 O ARG A 72 60.035 40.537 23.135 1.00 0.00 O ATOM 1154 CB ARG A 72 57.392 39.263 23.362 1.00 0.00 C ATOM 1155 CG ARG A 72 55.894 39.008 23.496 1.00 0.00 C ATOM 1156 CD ARG A 72 55.459 37.663 22.919 1.00 0.00 C ATOM 1157 NE ARG A 72 55.767 37.515 21.497 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.684 36.705 20.951 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.528 35.950 21.668 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.793 36.623 19.618 1.00 0.00 N ATOM 0 H ARG A 72 56.687 41.556 22.894 1.00 0.00 H new ATOM 0 HA ARG A 72 57.561 40.332 25.221 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.632 39.434 22.313 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.935 38.370 23.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.618 39.051 24.549 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.350 39.806 22.991 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.948 36.862 23.474 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.386 37.543 23.065 1.00 0.00 H new ATOM 0 HE ARG A 72 55.226 38.090 20.852 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.493 35.973 22.687 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.205 35.352 21.195 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.179 37.177 19.021 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.490 36.007 19.200 1.00 0.00 H new ATOM 1174 N LEU A 73 60.015 40.465 25.373 1.00 0.00 N ATOM 1175 CA LEU A 73 61.450 40.529 25.561 1.00 0.00 C ATOM 1176 C LEU A 73 62.120 39.280 24.985 1.00 0.00 C ATOM 1177 O LEU A 73 61.697 38.156 25.247 1.00 0.00 O ATOM 1178 CB LEU A 73 61.736 40.722 27.048 1.00 0.00 C ATOM 1179 CG LEU A 73 63.165 41.130 27.395 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.434 42.593 27.051 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.402 40.958 28.892 1.00 0.00 C ATOM 0 H LEU A 73 59.501 40.391 26.251 1.00 0.00 H new ATOM 0 HA LEU A 73 61.872 41.377 25.021 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.056 41.481 27.435 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.506 39.792 27.568 1.00 0.00 H new ATOM 0 HG LEU A 73 63.831 40.493 26.813 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.462 42.845 27.313 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.283 42.749 25.983 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.750 43.230 27.611 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.424 41.251 29.135 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.704 41.586 29.445 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.248 39.915 29.167 1.00 0.00 H new ATOM 1193 N ARG A 74 63.154 39.470 24.170 1.00 0.00 N ATOM 1194 CA ARG A 74 63.795 38.455 23.359 1.00 0.00 C ATOM 1195 C ARG A 74 62.861 37.749 22.373 1.00 0.00 C ATOM 1196 O ARG A 74 63.215 36.690 21.859 1.00 0.00 O ATOM 1197 CB ARG A 74 64.616 37.494 24.213 1.00 0.00 C ATOM 1198 CG ARG A 74 65.615 38.154 25.160 1.00 0.00 C ATOM 1199 CD ARG A 74 66.342 37.101 25.991 1.00 0.00 C ATOM 1200 NE ARG A 74 67.274 37.697 26.949 1.00 0.00 N ATOM 1201 CZ ARG A 74 67.007 38.115 28.193 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.768 38.128 28.706 1.00 0.00 N ATOM 1203 NH2 ARG A 74 68.017 38.556 28.956 1.00 0.00 N ATOM 0 H ARG A 74 63.586 40.387 24.056 1.00 0.00 H new ATOM 0 HA ARG A 74 64.494 38.986 22.713 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.932 36.882 24.801 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.159 36.819 23.551 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.337 38.736 24.588 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.095 38.850 25.819 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.611 36.496 26.527 1.00 0.00 H new ATOM 0 HD3 ARG A 74 66.886 36.430 25.327 1.00 0.00 H new ATOM 0 HE ARG A 74 68.238 37.807 26.633 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.979 37.810 28.143 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.614 38.456 29.660 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.968 38.569 28.586 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.835 38.879 29.906 1.00 0.00 H new ATOM 1217 N GLY A 75 61.693 38.309 22.078 1.00 0.00 N ATOM 1218 CA GLY A 75 60.733 37.811 21.114 1.00 0.00 C ATOM 1219 C GLY A 75 60.277 38.888 20.127 1.00 0.00 C ATOM 1220 O GLY A 75 60.642 40.054 20.263 1.00 0.00 O ATOM 0 H GLY A 75 61.379 39.167 22.531 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.175 36.981 20.562 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.865 37.416 21.642 1.00 0.00 H new ATOM 1224 N GLY A 76 59.499 38.492 19.123 1.00 0.00 N ATOM 1225 CA GLY A 76 58.957 39.356 18.095 1.00 0.00 C ATOM 1226 C GLY A 76 60.019 39.969 17.178 1.00 0.00 C ATOM 1227 O GLY A 76 59.951 41.195 16.948 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.862 39.220 16.641 1.00 0.00 O ATOM 0 H GLY A 76 59.221 37.518 19.005 1.00 0.00 H new ATOM 0 HA2 GLY A 76 58.253 38.786 17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 58.393 40.159 18.569 1.00 0.00 H new TER 1232 GLY A 76