USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 49 ASN : amide:sc= -1.08 K(o=-0.94,f=-8.6!) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.139 X(o=-0.94,f=-1.2) USER MOD Single : A 1 MET CE :methyl -175:sc= -0.06 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -31:sc= 0.694 USER MOD Single : A 8 LYS NZ :NH3+ 140:sc= -0.222 (180deg=-1.6) USER MOD Single : A 12 ASN : amide:sc= -7.74! K(o=-7.7!,f=-2.6) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -0.16 (180deg=-1.07) USER MOD Single : A 19 THR OG1 : rot -8:sc= 0.416! USER MOD Single : A 20 SER OG : rot 150:sc= -0.972 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.018) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.38) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0262 (180deg=-0.315) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 52 SER OG : rot -120:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -5.82! K(o=-5.8!,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -28:sc= 0.653 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.420 -5.065 8.739 1.00 0.00 N ATOM 2 CA MET A 1 10.074 -3.709 8.225 1.00 0.00 C ATOM 3 C MET A 1 8.662 -3.733 7.637 1.00 0.00 C ATOM 4 O MET A 1 8.353 -4.525 6.769 1.00 0.00 O ATOM 5 CB MET A 1 11.072 -3.305 7.138 1.00 0.00 C ATOM 6 CG MET A 1 10.898 -1.822 6.806 1.00 0.00 C ATOM 7 SD MET A 1 11.722 -1.455 5.236 1.00 0.00 S ATOM 8 CE MET A 1 10.670 -0.066 4.743 1.00 0.00 C ATOM 0 H1 MET A 1 11.380 -5.050 9.139 1.00 0.00 H new ATOM 0 H2 MET A 1 9.741 -5.340 9.477 1.00 0.00 H new ATOM 0 H3 MET A 1 10.381 -5.752 7.959 1.00 0.00 H new ATOM 0 HA MET A 1 10.116 -2.989 9.042 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.090 -3.495 7.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.916 -3.909 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.838 -1.575 6.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.319 -1.208 7.602 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.949 0.265 3.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.627 -0.382 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.800 0.756 5.447 1.00 0.00 H new ATOM 20 N GLU A 2 7.800 -2.867 8.101 1.00 0.00 N ATOM 21 CA GLU A 2 6.406 -2.835 7.570 1.00 0.00 C ATOM 22 C GLU A 2 6.345 -1.897 6.364 1.00 0.00 C ATOM 23 O GLU A 2 7.183 -1.034 6.195 1.00 0.00 O ATOM 24 CB GLU A 2 5.459 -2.326 8.658 1.00 0.00 C ATOM 25 CG GLU A 2 5.582 -3.213 9.898 1.00 0.00 C ATOM 26 CD GLU A 2 4.684 -2.668 11.010 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.511 -2.461 10.749 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.187 -2.466 12.104 1.00 0.00 O ATOM 0 H GLU A 2 8.002 -2.179 8.826 1.00 0.00 H new ATOM 0 HA GLU A 2 6.107 -3.839 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.700 -1.294 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.432 -2.333 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.297 -4.237 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.618 -3.242 10.235 1.00 0.00 H new ATOM 35 N LEU A 3 5.361 -2.059 5.523 1.00 0.00 N ATOM 36 CA LEU A 3 5.250 -1.175 4.327 1.00 0.00 C ATOM 37 C LEU A 3 3.822 -1.234 3.784 1.00 0.00 C ATOM 38 O LEU A 3 3.537 -1.944 2.841 1.00 0.00 O ATOM 39 CB LEU A 3 6.233 -1.654 3.249 1.00 0.00 C ATOM 40 CG LEU A 3 6.237 -0.683 2.049 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.064 0.568 2.373 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.848 -1.384 0.831 1.00 0.00 C ATOM 0 H LEU A 3 4.629 -2.764 5.611 1.00 0.00 H new ATOM 0 HA LEU A 3 5.489 -0.148 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.236 -1.725 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.956 -2.654 2.914 1.00 0.00 H new ATOM 0 HG LEU A 3 5.210 -0.385 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.056 1.241 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.634 1.075 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.091 0.278 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.852 -0.701 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.870 -1.685 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.257 -2.266 0.584 1.00 0.00 H new ATOM 54 N TRP A 4 2.923 -0.485 4.360 1.00 0.00 N ATOM 55 CA TRP A 4 1.520 -0.495 3.862 1.00 0.00 C ATOM 56 C TRP A 4 1.421 0.429 2.648 1.00 0.00 C ATOM 57 O TRP A 4 2.321 1.196 2.368 1.00 0.00 O ATOM 58 CB TRP A 4 0.581 -0.010 4.966 1.00 0.00 C ATOM 59 CG TRP A 4 0.691 -0.931 6.138 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.743 -0.982 6.987 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.258 -1.934 6.600 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.501 -1.949 7.946 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.282 -2.565 7.754 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.527 -2.357 6.139 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.411 -3.582 8.426 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.228 -3.379 6.813 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.671 -3.990 7.955 1.00 0.00 C ATOM 0 H TRP A 4 3.099 0.132 5.153 1.00 0.00 H new ATOM 0 HA TRP A 4 1.233 -1.507 3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.840 1.007 5.261 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.446 0.015 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.629 -0.367 6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.145 -2.178 8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.962 -1.894 5.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.020 -4.049 9.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.196 -3.695 6.453 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.212 -4.771 8.468 1.00 0.00 H new ATOM 78 N VAL A 5 0.339 0.356 1.915 1.00 0.00 N ATOM 79 CA VAL A 5 0.180 1.221 0.706 1.00 0.00 C ATOM 80 C VAL A 5 -1.251 1.757 0.645 1.00 0.00 C ATOM 81 O VAL A 5 -2.183 1.118 1.091 1.00 0.00 O ATOM 82 CB VAL A 5 0.469 0.387 -0.544 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.593 1.309 -1.756 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.780 -0.378 -0.353 1.00 0.00 C ATOM 0 H VAL A 5 -0.445 -0.269 2.103 1.00 0.00 H new ATOM 0 HA VAL A 5 0.875 2.059 0.758 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.346 -0.318 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.799 0.714 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.339 1.857 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.408 2.015 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.987 -0.973 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.594 0.329 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.694 -1.036 0.512 1.00 0.00 H new ATOM 94 N SER A 6 -1.431 2.934 0.101 1.00 0.00 N ATOM 95 CA SER A 6 -2.801 3.528 0.012 1.00 0.00 C ATOM 96 C SER A 6 -3.382 3.257 -1.395 1.00 0.00 C ATOM 97 O SER A 6 -2.629 3.116 -2.337 1.00 0.00 O ATOM 98 CB SER A 6 -2.691 5.039 0.244 1.00 0.00 C ATOM 99 OG SER A 6 -2.596 5.291 1.641 1.00 0.00 O ATOM 0 H SER A 6 -0.685 3.512 -0.287 1.00 0.00 H new ATOM 0 HA SER A 6 -3.457 3.085 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.815 5.435 -0.270 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.561 5.547 -0.171 1.00 0.00 H new ATOM 0 HG SER A 6 -3.086 4.599 2.132 1.00 0.00 H new ATOM 105 N PRO A 7 -4.698 3.195 -1.515 1.00 0.00 N ATOM 106 CA PRO A 7 -5.341 2.946 -2.823 1.00 0.00 C ATOM 107 C PRO A 7 -4.814 3.924 -3.888 1.00 0.00 C ATOM 108 O PRO A 7 -4.464 3.530 -4.982 1.00 0.00 O ATOM 109 CB PRO A 7 -6.855 3.151 -2.567 1.00 0.00 C ATOM 110 CG PRO A 7 -7.041 3.406 -1.043 1.00 0.00 C ATOM 111 CD PRO A 7 -5.644 3.357 -0.388 1.00 0.00 C ATOM 0 HA PRO A 7 -5.128 1.948 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.231 3.995 -3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.419 2.273 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.511 4.375 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.696 2.652 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.438 4.269 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.566 2.527 0.315 1.00 0.00 H new ATOM 119 N LYS A 8 -4.771 5.191 -3.583 1.00 0.00 N ATOM 120 CA LYS A 8 -4.285 6.183 -4.587 1.00 0.00 C ATOM 121 C LYS A 8 -2.854 5.846 -5.017 1.00 0.00 C ATOM 122 O LYS A 8 -2.418 6.220 -6.089 1.00 0.00 O ATOM 123 CB LYS A 8 -4.317 7.585 -3.975 1.00 0.00 C ATOM 124 CG LYS A 8 -3.382 7.643 -2.765 1.00 0.00 C ATOM 125 CD LYS A 8 -3.700 8.887 -1.931 1.00 0.00 C ATOM 126 CE LYS A 8 -2.733 8.970 -0.750 1.00 0.00 C ATOM 127 NZ LYS A 8 -1.331 8.909 -1.250 1.00 0.00 N ATOM 0 H LYS A 8 -5.050 5.584 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.934 6.148 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.013 8.323 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.334 7.837 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.500 6.746 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.344 7.670 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.616 9.782 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.728 8.843 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.894 9.897 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.919 8.150 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.742 9.577 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.961 7.945 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.311 9.163 -2.258 1.00 0.00 H new ATOM 141 N GLU A 9 -2.116 5.143 -4.200 1.00 0.00 N ATOM 142 CA GLU A 9 -0.714 4.789 -4.580 1.00 0.00 C ATOM 143 C GLU A 9 -0.721 3.517 -5.434 1.00 0.00 C ATOM 144 O GLU A 9 0.183 3.274 -6.206 1.00 0.00 O ATOM 145 CB GLU A 9 0.116 4.553 -3.314 1.00 0.00 C ATOM 146 CG GLU A 9 0.510 5.898 -2.698 1.00 0.00 C ATOM 147 CD GLU A 9 1.596 6.554 -3.554 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.733 6.121 -3.465 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.271 7.476 -4.284 1.00 0.00 O ATOM 0 H GLU A 9 -2.420 4.799 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.276 5.607 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.457 3.967 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.009 3.977 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.361 6.550 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.873 5.752 -1.681 1.00 0.00 H new ATOM 156 N LEU A 10 -1.737 2.706 -5.307 1.00 0.00 N ATOM 157 CA LEU A 10 -1.798 1.455 -6.118 1.00 0.00 C ATOM 158 C LEU A 10 -2.336 1.795 -7.509 1.00 0.00 C ATOM 159 O LEU A 10 -2.112 1.081 -8.467 1.00 0.00 O ATOM 160 CB LEU A 10 -2.739 0.452 -5.441 1.00 0.00 C ATOM 161 CG LEU A 10 -2.167 0.016 -4.084 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.239 -0.758 -3.310 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.935 -0.886 -4.283 1.00 0.00 C ATOM 0 H LEU A 10 -2.526 2.855 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.803 1.018 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.722 0.902 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.876 -0.419 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.868 0.903 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.838 -1.070 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.107 -0.118 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.536 -1.638 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.543 -1.186 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.221 -1.773 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.168 -0.339 -4.831 1.00 0.00 H new ATOM 175 N ALA A 11 -3.052 2.879 -7.615 1.00 0.00 N ATOM 176 CA ALA A 11 -3.621 3.299 -8.931 1.00 0.00 C ATOM 177 C ALA A 11 -2.504 3.635 -9.934 1.00 0.00 C ATOM 178 O ALA A 11 -2.687 4.463 -10.803 1.00 0.00 O ATOM 179 CB ALA A 11 -4.496 4.535 -8.722 1.00 0.00 C ATOM 0 H ALA A 11 -3.271 3.501 -6.837 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.211 2.476 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.916 4.849 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.305 4.296 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.892 5.342 -8.308 1.00 0.00 H new ATOM 185 N ASN A 12 -1.347 3.022 -9.829 1.00 0.00 N ATOM 186 CA ASN A 12 -0.245 3.348 -10.792 1.00 0.00 C ATOM 187 C ASN A 12 0.617 2.110 -11.075 1.00 0.00 C ATOM 188 O ASN A 12 1.483 2.141 -11.927 1.00 0.00 O ATOM 189 CB ASN A 12 0.633 4.452 -10.195 1.00 0.00 C ATOM 190 CG ASN A 12 0.935 4.127 -8.732 1.00 0.00 C ATOM 191 OD1 ASN A 12 0.965 5.008 -7.896 1.00 0.00 O ATOM 192 ND2 ASN A 12 1.161 2.891 -8.387 1.00 0.00 N ATOM 0 H ASN A 12 -1.120 2.318 -9.127 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.687 3.684 -11.730 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.562 4.538 -10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.126 5.414 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.363 2.662 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.135 2.152 -9.090 1.00 0.00 H new ATOM 199 N LEU A 13 0.393 1.016 -10.394 1.00 0.00 N ATOM 200 CA LEU A 13 1.214 -0.199 -10.673 1.00 0.00 C ATOM 201 C LEU A 13 0.661 -0.866 -11.951 1.00 0.00 C ATOM 202 O LEU A 13 -0.526 -0.789 -12.193 1.00 0.00 O ATOM 203 CB LEU A 13 1.111 -1.178 -9.493 1.00 0.00 C ATOM 204 CG LEU A 13 1.495 -0.481 -8.177 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.559 -1.521 -7.051 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.867 0.199 -8.317 1.00 0.00 C ATOM 0 H LEU A 13 -0.314 0.912 -9.666 1.00 0.00 H new ATOM 0 HA LEU A 13 2.260 0.075 -10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.095 -1.566 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.767 -2.032 -9.663 1.00 0.00 H new ATOM 0 HG LEU A 13 0.745 0.274 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.831 -1.030 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.585 -1.998 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.307 -2.276 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.128 0.689 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.622 -0.550 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.826 0.941 -9.114 1.00 0.00 H new ATOM 218 N PRO A 14 1.509 -1.493 -12.750 1.00 0.00 N ATOM 219 CA PRO A 14 1.046 -2.143 -13.995 1.00 0.00 C ATOM 220 C PRO A 14 -0.029 -3.199 -13.691 1.00 0.00 C ATOM 221 O PRO A 14 -1.178 -3.053 -14.059 1.00 0.00 O ATOM 222 CB PRO A 14 2.314 -2.794 -14.603 1.00 0.00 C ATOM 223 CG PRO A 14 3.486 -2.551 -13.608 1.00 0.00 C ATOM 224 CD PRO A 14 2.964 -1.613 -12.498 1.00 0.00 C ATOM 0 HA PRO A 14 0.587 -1.433 -14.683 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.159 -3.861 -14.760 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.540 -2.358 -15.576 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.830 -3.494 -13.183 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.337 -2.103 -14.120 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.160 -2.025 -11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.454 -0.640 -12.541 1.00 0.00 H new ATOM 232 N GLY A 15 0.347 -4.263 -13.038 1.00 0.00 N ATOM 233 CA GLY A 15 -0.634 -5.345 -12.719 1.00 0.00 C ATOM 234 C GLY A 15 -1.950 -4.744 -12.221 1.00 0.00 C ATOM 235 O GLY A 15 -3.017 -5.266 -12.479 1.00 0.00 O ATOM 0 H GLY A 15 1.297 -4.433 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.817 -5.952 -13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.219 -6.008 -11.959 1.00 0.00 H new ATOM 239 N LEU A 16 -1.887 -3.654 -11.506 1.00 0.00 N ATOM 240 CA LEU A 16 -3.138 -3.021 -10.983 1.00 0.00 C ATOM 241 C LEU A 16 -3.597 -1.924 -11.968 1.00 0.00 C ATOM 242 O LEU A 16 -2.768 -1.326 -12.623 1.00 0.00 O ATOM 243 CB LEU A 16 -2.827 -2.392 -9.619 1.00 0.00 C ATOM 244 CG LEU A 16 -2.057 -3.395 -8.750 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.921 -2.829 -7.337 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.812 -4.728 -8.696 1.00 0.00 C ATOM 0 H LEU A 16 -1.023 -3.171 -11.259 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.928 -3.764 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.238 -1.484 -9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.753 -2.101 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.069 -3.564 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.375 -3.536 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.379 -1.884 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.912 -2.663 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.259 -5.435 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.802 -4.568 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.913 -5.130 -9.704 1.00 0.00 H new ATOM 258 N PRO A 17 -4.894 -1.670 -12.060 1.00 0.00 N ATOM 259 CA PRO A 17 -5.400 -0.630 -12.977 1.00 0.00 C ATOM 260 C PRO A 17 -4.701 0.709 -12.695 1.00 0.00 C ATOM 261 O PRO A 17 -3.822 0.799 -11.861 1.00 0.00 O ATOM 262 CB PRO A 17 -6.920 -0.550 -12.695 1.00 0.00 C ATOM 263 CG PRO A 17 -7.247 -1.608 -11.601 1.00 0.00 C ATOM 264 CD PRO A 17 -5.943 -2.373 -11.287 1.00 0.00 C ATOM 0 HA PRO A 17 -5.205 -0.862 -14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.196 0.449 -12.357 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.490 -0.748 -13.603 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.633 -1.124 -10.704 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.019 -2.294 -11.950 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.724 -2.359 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.018 -3.419 -11.583 1.00 0.00 H new ATOM 272 N LYS A 18 -5.092 1.748 -13.390 1.00 0.00 N ATOM 273 CA LYS A 18 -4.464 3.090 -13.179 1.00 0.00 C ATOM 274 C LYS A 18 -5.398 3.964 -12.345 1.00 0.00 C ATOM 275 O LYS A 18 -5.074 5.085 -12.005 1.00 0.00 O ATOM 276 CB LYS A 18 -4.230 3.752 -14.536 1.00 0.00 C ATOM 277 CG LYS A 18 -3.440 2.792 -15.448 1.00 0.00 C ATOM 278 CD LYS A 18 -2.618 3.590 -16.477 1.00 0.00 C ATOM 279 CE LYS A 18 -1.262 3.986 -15.879 1.00 0.00 C ATOM 280 NZ LYS A 18 -0.471 2.756 -15.586 1.00 0.00 N ATOM 0 H LYS A 18 -5.824 1.724 -14.100 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.515 2.972 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.184 4.006 -14.998 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.680 4.684 -14.408 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.777 2.170 -14.846 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.127 2.120 -15.963 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.467 2.992 -17.375 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.166 4.483 -16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.718 4.624 -16.575 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.409 4.563 -14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.542 2.957 -15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.648 2.455 -14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.755 1.997 -16.238 1.00 0.00 H new ATOM 294 N THR A 19 -6.559 3.454 -12.016 1.00 0.00 N ATOM 295 CA THR A 19 -7.542 4.234 -11.200 1.00 0.00 C ATOM 296 C THR A 19 -7.823 3.478 -9.902 1.00 0.00 C ATOM 297 O THR A 19 -8.180 2.317 -9.914 1.00 0.00 O ATOM 298 CB THR A 19 -8.844 4.385 -11.990 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.605 3.190 -11.879 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.518 4.649 -13.460 1.00 0.00 C ATOM 0 H THR A 19 -6.871 2.520 -12.281 1.00 0.00 H new ATOM 0 HA THR A 19 -7.136 5.220 -10.972 1.00 0.00 H new ATOM 0 HB THR A 19 -9.419 5.220 -11.590 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.071 2.503 -11.429 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.444 4.757 -14.024 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.933 5.565 -13.544 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.944 3.814 -13.861 1.00 0.00 H new ATOM 308 N SER A 20 -7.661 4.124 -8.782 1.00 0.00 N ATOM 309 CA SER A 20 -7.915 3.438 -7.486 1.00 0.00 C ATOM 310 C SER A 20 -9.307 2.800 -7.514 1.00 0.00 C ATOM 311 O SER A 20 -9.554 1.800 -6.871 1.00 0.00 O ATOM 312 CB SER A 20 -7.831 4.460 -6.348 1.00 0.00 C ATOM 313 OG SER A 20 -6.806 5.399 -6.640 1.00 0.00 O ATOM 0 H SER A 20 -7.364 5.097 -8.708 1.00 0.00 H new ATOM 0 HA SER A 20 -7.168 2.660 -7.326 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.787 4.971 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.621 3.956 -5.405 1.00 0.00 H new ATOM 0 HG SER A 20 -7.032 6.265 -6.240 1.00 0.00 H new ATOM 319 N ALA A 21 -10.214 3.370 -8.256 1.00 0.00 N ATOM 320 CA ALA A 21 -11.587 2.797 -8.325 1.00 0.00 C ATOM 321 C ALA A 21 -11.503 1.325 -8.730 1.00 0.00 C ATOM 322 O ALA A 21 -12.264 0.499 -8.269 1.00 0.00 O ATOM 323 CB ALA A 21 -12.408 3.565 -9.363 1.00 0.00 C ATOM 0 H ALA A 21 -10.064 4.208 -8.818 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.066 2.880 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.413 3.146 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.466 4.615 -9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.930 3.482 -10.339 1.00 0.00 H new ATOM 329 N GLY A 22 -10.579 0.991 -9.587 1.00 0.00 N ATOM 330 CA GLY A 22 -10.444 -0.426 -10.021 1.00 0.00 C ATOM 331 C GLY A 22 -9.754 -1.232 -8.919 1.00 0.00 C ATOM 332 O GLY A 22 -10.070 -2.382 -8.689 1.00 0.00 O ATOM 0 H GLY A 22 -9.911 1.639 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.426 -0.848 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.866 -0.482 -10.944 1.00 0.00 H new ATOM 336 N VAL A 23 -8.815 -0.638 -8.234 1.00 0.00 N ATOM 337 CA VAL A 23 -8.110 -1.375 -7.147 1.00 0.00 C ATOM 338 C VAL A 23 -9.098 -1.685 -6.021 1.00 0.00 C ATOM 339 O VAL A 23 -9.335 -2.830 -5.691 1.00 0.00 O ATOM 340 CB VAL A 23 -6.970 -0.516 -6.600 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.230 -1.290 -5.507 1.00 0.00 C ATOM 342 CG2 VAL A 23 -5.998 -0.178 -7.732 1.00 0.00 C ATOM 0 H VAL A 23 -8.506 0.323 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.704 -2.305 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.376 0.405 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.417 -0.679 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.922 -1.532 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.823 -2.211 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.185 0.435 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.591 -1.099 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.525 0.372 -8.512 1.00 0.00 H new ATOM 352 N ILE A 24 -9.680 -0.676 -5.431 1.00 0.00 N ATOM 353 CA ILE A 24 -10.654 -0.922 -4.331 1.00 0.00 C ATOM 354 C ILE A 24 -11.686 -1.948 -4.801 1.00 0.00 C ATOM 355 O ILE A 24 -12.051 -2.852 -4.075 1.00 0.00 O ATOM 356 CB ILE A 24 -11.347 0.394 -3.958 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.277 1.445 -3.632 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.243 0.181 -2.730 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.934 2.709 -3.068 1.00 0.00 C ATOM 0 H ILE A 24 -9.523 0.305 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.136 -1.308 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.961 0.733 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.568 1.041 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.711 1.690 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.733 1.119 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.998 -0.572 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.635 -0.156 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.166 3.448 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.625 3.119 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.479 2.460 -2.158 1.00 0.00 H new ATOM 371 N TYR A 25 -12.152 -1.824 -6.014 1.00 0.00 N ATOM 372 CA TYR A 25 -13.150 -2.802 -6.527 1.00 0.00 C ATOM 373 C TYR A 25 -12.532 -4.200 -6.507 1.00 0.00 C ATOM 374 O TYR A 25 -13.179 -5.174 -6.180 1.00 0.00 O ATOM 375 CB TYR A 25 -13.537 -2.433 -7.961 1.00 0.00 C ATOM 376 CG TYR A 25 -14.687 -3.303 -8.410 1.00 0.00 C ATOM 377 CD1 TYR A 25 -14.432 -4.535 -9.043 1.00 0.00 C ATOM 378 CD2 TYR A 25 -16.013 -2.883 -8.195 1.00 0.00 C ATOM 379 CE1 TYR A 25 -15.504 -5.346 -9.461 1.00 0.00 C ATOM 380 CE2 TYR A 25 -17.085 -3.694 -8.613 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.831 -4.926 -9.247 1.00 0.00 C ATOM 382 OH TYR A 25 -17.882 -5.721 -9.657 1.00 0.00 O ATOM 0 H TYR A 25 -11.885 -1.090 -6.669 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.041 -2.784 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.820 -1.382 -8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.684 -2.568 -8.626 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -13.414 -4.857 -9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -16.208 -1.938 -7.709 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.309 -6.291 -9.946 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.102 -3.372 -8.448 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.730 -5.284 -9.432 1.00 0.00 H new ATOM 392 N VAL A 26 -11.278 -4.300 -6.850 1.00 0.00 N ATOM 393 CA VAL A 26 -10.602 -5.628 -6.846 1.00 0.00 C ATOM 394 C VAL A 26 -10.330 -6.043 -5.400 1.00 0.00 C ATOM 395 O VAL A 26 -10.284 -7.214 -5.079 1.00 0.00 O ATOM 396 CB VAL A 26 -9.282 -5.526 -7.621 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.454 -6.797 -7.411 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.578 -5.354 -9.115 1.00 0.00 C ATOM 0 H VAL A 26 -10.690 -3.516 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.238 -6.374 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.720 -4.666 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.518 -6.717 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.239 -6.920 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.015 -7.660 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.640 -5.281 -9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.145 -6.213 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.160 -4.445 -9.268 1.00 0.00 H new ATOM 408 N ALA A 27 -10.154 -5.093 -4.521 1.00 0.00 N ATOM 409 CA ALA A 27 -9.892 -5.442 -3.098 1.00 0.00 C ATOM 410 C ALA A 27 -10.955 -6.438 -2.632 1.00 0.00 C ATOM 411 O ALA A 27 -10.703 -7.290 -1.805 1.00 0.00 O ATOM 412 CB ALA A 27 -9.960 -4.178 -2.237 1.00 0.00 C ATOM 0 H ALA A 27 -10.180 -4.094 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.901 -5.885 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.768 -4.436 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.210 -3.465 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.951 -3.732 -2.323 1.00 0.00 H new ATOM 418 N LYS A 28 -12.140 -6.341 -3.167 1.00 0.00 N ATOM 419 CA LYS A 28 -13.216 -7.288 -2.767 1.00 0.00 C ATOM 420 C LYS A 28 -12.917 -8.665 -3.367 1.00 0.00 C ATOM 421 O LYS A 28 -13.113 -9.685 -2.737 1.00 0.00 O ATOM 422 CB LYS A 28 -14.566 -6.778 -3.285 1.00 0.00 C ATOM 423 CG LYS A 28 -14.646 -5.262 -3.097 1.00 0.00 C ATOM 424 CD LYS A 28 -14.375 -4.910 -1.633 1.00 0.00 C ATOM 425 CE LYS A 28 -14.804 -3.465 -1.365 1.00 0.00 C ATOM 426 NZ LYS A 28 -14.596 -3.143 0.074 1.00 0.00 N ATOM 0 H LYS A 28 -12.409 -5.647 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.257 -7.364 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.682 -7.031 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.381 -7.265 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.919 -4.767 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.631 -4.901 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.920 -5.589 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.315 -5.033 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.227 -2.782 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.853 -3.331 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.888 -2.161 0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.165 -3.787 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.590 -3.255 0.313 1.00 0.00 H new ATOM 440 N LYS A 29 -12.441 -8.697 -4.582 1.00 0.00 N ATOM 441 CA LYS A 29 -12.126 -10.003 -5.228 1.00 0.00 C ATOM 442 C LYS A 29 -10.983 -10.686 -4.471 1.00 0.00 C ATOM 443 O LYS A 29 -10.536 -11.755 -4.836 1.00 0.00 O ATOM 444 CB LYS A 29 -11.709 -9.773 -6.686 1.00 0.00 C ATOM 445 CG LYS A 29 -12.920 -9.305 -7.514 1.00 0.00 C ATOM 446 CD LYS A 29 -12.661 -9.538 -9.007 1.00 0.00 C ATOM 447 CE LYS A 29 -11.555 -8.601 -9.493 1.00 0.00 C ATOM 448 NZ LYS A 29 -11.424 -8.712 -10.974 1.00 0.00 N ATOM 0 H LYS A 29 -12.256 -7.874 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.011 -10.639 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.916 -9.026 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.305 -10.694 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.814 -9.847 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.108 -8.247 -7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.373 -10.575 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.574 -9.363 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.786 -7.573 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.610 -8.857 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.672 -8.075 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.185 -9.692 -11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.324 -8.447 -11.423 1.00 0.00 H new ATOM 462 N GLN A 30 -10.510 -10.078 -3.417 1.00 0.00 N ATOM 463 CA GLN A 30 -9.398 -10.690 -2.629 1.00 0.00 C ATOM 464 C GLN A 30 -9.501 -10.221 -1.176 1.00 0.00 C ATOM 465 O GLN A 30 -9.842 -10.981 -0.292 1.00 0.00 O ATOM 466 CB GLN A 30 -8.053 -10.254 -3.215 1.00 0.00 C ATOM 467 CG GLN A 30 -7.894 -10.840 -4.621 1.00 0.00 C ATOM 468 CD GLN A 30 -6.434 -10.717 -5.064 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.715 -11.697 -5.104 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.963 -9.549 -5.403 1.00 0.00 N ATOM 0 H GLN A 30 -10.846 -9.181 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.471 -11.777 -2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.997 -9.166 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.238 -10.592 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.200 -11.886 -4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.543 -10.314 -5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.566 -8.727 -5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.992 -9.458 -5.702 1.00 0.00 H new ATOM 479 N GLY A 31 -9.220 -8.969 -0.925 1.00 0.00 N ATOM 480 CA GLY A 31 -9.312 -8.436 0.470 1.00 0.00 C ATOM 481 C GLY A 31 -7.931 -8.431 1.124 1.00 0.00 C ATOM 482 O GLY A 31 -7.753 -8.926 2.219 1.00 0.00 O ATOM 0 H GLY A 31 -8.930 -8.289 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.719 -7.425 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.998 -9.047 1.056 1.00 0.00 H new ATOM 486 N TRP A 32 -6.949 -7.870 0.471 1.00 0.00 N ATOM 487 CA TRP A 32 -5.587 -7.831 1.074 1.00 0.00 C ATOM 488 C TRP A 32 -5.683 -7.293 2.503 1.00 0.00 C ATOM 489 O TRP A 32 -6.447 -6.391 2.783 1.00 0.00 O ATOM 490 CB TRP A 32 -4.682 -6.910 0.251 1.00 0.00 C ATOM 491 CG TRP A 32 -4.782 -7.258 -1.199 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.507 -8.472 -1.727 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.145 -6.397 -2.316 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.695 -8.420 -3.098 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.086 -7.163 -3.512 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.525 -5.038 -2.410 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.389 -6.599 -4.760 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.830 -4.466 -3.664 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.762 -5.246 -4.835 1.00 0.00 C ATOM 0 H TRP A 32 -7.031 -7.439 -0.450 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.168 -8.837 1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.971 -5.870 0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.649 -7.007 0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.192 -9.342 -1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.561 -9.213 -3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.582 -4.434 -1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.336 -7.200 -5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.117 -3.427 -3.726 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.997 -4.804 -5.792 1.00 0.00 H new ATOM 510 N GLN A 33 -4.916 -7.833 3.411 1.00 0.00 N ATOM 511 CA GLN A 33 -4.968 -7.341 4.819 1.00 0.00 C ATOM 512 C GLN A 33 -4.891 -5.812 4.819 1.00 0.00 C ATOM 513 O GLN A 33 -3.821 -5.237 4.800 1.00 0.00 O ATOM 514 CB GLN A 33 -3.787 -7.913 5.605 1.00 0.00 C ATOM 515 CG GLN A 33 -3.865 -7.443 7.060 1.00 0.00 C ATOM 516 CD GLN A 33 -2.797 -8.161 7.886 1.00 0.00 C ATOM 517 OE1 GLN A 33 -3.104 -9.050 8.656 1.00 0.00 O ATOM 518 NE2 GLN A 33 -1.546 -7.812 7.758 1.00 0.00 N ATOM 0 H GLN A 33 -4.257 -8.592 3.240 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.899 -7.662 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.802 -9.002 5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.848 -7.589 5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.717 -6.364 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.855 -7.649 7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.288 -7.066 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.826 -8.285 8.304 1.00 0.00 H new ATOM 527 N ASN A 34 -6.021 -5.151 4.825 1.00 0.00 N ATOM 528 CA ASN A 34 -6.029 -3.655 4.810 1.00 0.00 C ATOM 529 C ASN A 34 -6.280 -3.113 6.222 1.00 0.00 C ATOM 530 O ASN A 34 -7.279 -3.414 6.844 1.00 0.00 O ATOM 531 CB ASN A 34 -7.144 -3.174 3.875 1.00 0.00 C ATOM 532 CG ASN A 34 -8.381 -4.054 4.063 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.508 -5.086 3.435 1.00 0.00 O ATOM 534 ND2 ASN A 34 -9.306 -3.686 4.908 1.00 0.00 N ATOM 0 H ASN A 34 -6.944 -5.585 4.840 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.063 -3.292 4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.389 -2.133 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.808 -3.216 2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.135 -4.265 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.199 -2.819 5.435 1.00 0.00 H new ATOM 541 N ARG A 35 -5.383 -2.305 6.725 1.00 0.00 N ATOM 542 CA ARG A 35 -5.570 -1.726 8.091 1.00 0.00 C ATOM 543 C ARG A 35 -6.313 -0.392 7.979 1.00 0.00 C ATOM 544 O ARG A 35 -5.879 0.515 7.300 1.00 0.00 O ATOM 545 CB ARG A 35 -4.201 -1.494 8.737 1.00 0.00 C ATOM 546 CG ARG A 35 -4.388 -0.957 10.164 1.00 0.00 C ATOM 547 CD ARG A 35 -3.021 -0.825 10.876 1.00 0.00 C ATOM 548 NE ARG A 35 -3.111 -1.375 12.268 1.00 0.00 N ATOM 549 CZ ARG A 35 -4.103 -1.061 13.062 1.00 0.00 C ATOM 550 NH1 ARG A 35 -4.990 -0.177 12.696 1.00 0.00 N ATOM 551 NH2 ARG A 35 -4.187 -1.613 14.242 1.00 0.00 N ATOM 0 H ARG A 35 -4.527 -2.020 6.249 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.149 -2.416 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.636 -2.426 8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.623 -0.785 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.883 0.013 10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.036 -1.627 10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.256 -1.360 10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.719 0.222 10.909 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.384 -2.007 12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.914 0.275 11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.760 0.062 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.481 -2.286 14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.958 -1.371 14.864 1.00 0.00 H new ATOM 565 N THR A 36 -7.432 -0.257 8.645 1.00 0.00 N ATOM 566 CA THR A 36 -8.194 1.029 8.575 1.00 0.00 C ATOM 567 C THR A 36 -7.771 1.929 9.736 1.00 0.00 C ATOM 568 O THR A 36 -7.970 1.607 10.890 1.00 0.00 O ATOM 569 CB THR A 36 -9.693 0.740 8.674 1.00 0.00 C ATOM 570 OG1 THR A 36 -10.065 -0.181 7.658 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.478 2.040 8.498 1.00 0.00 C ATOM 0 H THR A 36 -7.850 -0.978 9.232 1.00 0.00 H new ATOM 0 HA THR A 36 -7.983 1.528 7.629 1.00 0.00 H new ATOM 0 HB THR A 36 -9.916 0.313 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.025 -0.368 7.722 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.546 1.833 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.193 2.746 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.256 2.470 7.521 1.00 0.00 H new ATOM 579 N ARG A 37 -7.180 3.057 9.440 1.00 0.00 N ATOM 580 CA ARG A 37 -6.730 3.983 10.522 1.00 0.00 C ATOM 581 C ARG A 37 -7.843 4.976 10.853 1.00 0.00 C ATOM 582 O ARG A 37 -8.414 4.945 11.924 1.00 0.00 O ATOM 583 CB ARG A 37 -5.490 4.746 10.045 1.00 0.00 C ATOM 584 CG ARG A 37 -5.080 5.789 11.095 1.00 0.00 C ATOM 585 CD ARG A 37 -3.741 6.423 10.705 1.00 0.00 C ATOM 586 NE ARG A 37 -2.745 5.358 10.344 1.00 0.00 N ATOM 587 CZ ARG A 37 -2.434 4.397 11.174 1.00 0.00 C ATOM 588 NH1 ARG A 37 -2.839 4.430 12.413 1.00 0.00 N ATOM 589 NH2 ARG A 37 -1.665 3.421 10.773 1.00 0.00 N ATOM 0 H ARG A 37 -6.989 3.378 8.491 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.490 3.407 11.416 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.669 4.050 9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.698 5.237 9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.847 6.559 11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.998 5.319 12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.883 7.099 9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.360 7.022 11.532 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.299 5.385 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.405 5.211 12.744 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.590 3.674 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.310 3.411 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.419 2.668 11.416 1.00 0.00 H new ATOM 603 N ALA A 38 -8.141 5.862 9.944 1.00 0.00 N ATOM 604 CA ALA A 38 -9.205 6.880 10.187 1.00 0.00 C ATOM 605 C ALA A 38 -8.645 7.996 11.077 1.00 0.00 C ATOM 606 O ALA A 38 -8.753 7.958 12.286 1.00 0.00 O ATOM 607 CB ALA A 38 -10.427 6.222 10.856 1.00 0.00 C ATOM 0 H ALA A 38 -7.688 5.926 9.032 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.523 7.306 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.197 6.974 11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.822 5.442 10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.128 5.784 11.808 1.00 0.00 H new ATOM 613 N GLY A 39 -8.042 8.990 10.482 1.00 0.00 N ATOM 614 CA GLY A 39 -7.471 10.107 11.285 1.00 0.00 C ATOM 615 C GLY A 39 -6.943 11.191 10.343 1.00 0.00 C ATOM 616 O GLY A 39 -7.126 12.370 10.573 1.00 0.00 O ATOM 0 H GLY A 39 -7.921 9.076 9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.233 10.522 11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.666 9.738 11.921 1.00 0.00 H new ATOM 620 N VAL A 40 -6.291 10.801 9.282 1.00 0.00 N ATOM 621 CA VAL A 40 -5.753 11.804 8.326 1.00 0.00 C ATOM 622 C VAL A 40 -6.913 12.568 7.686 1.00 0.00 C ATOM 623 O VAL A 40 -6.802 13.738 7.375 1.00 0.00 O ATOM 624 CB VAL A 40 -4.955 11.084 7.240 1.00 0.00 C ATOM 625 CG1 VAL A 40 -3.727 10.419 7.864 1.00 0.00 C ATOM 626 CG2 VAL A 40 -5.834 10.017 6.584 1.00 0.00 C ATOM 0 H VAL A 40 -6.108 9.828 9.037 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.105 12.504 8.853 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.635 11.805 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.158 9.905 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.100 11.178 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.047 9.699 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.265 9.503 5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.155 9.297 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.709 10.490 6.138 1.00 0.00 H new ATOM 636 N LYS A 41 -8.028 11.910 7.487 1.00 0.00 N ATOM 637 CA LYS A 41 -9.216 12.579 6.865 1.00 0.00 C ATOM 638 C LYS A 41 -10.468 12.255 7.684 1.00 0.00 C ATOM 639 O LYS A 41 -11.519 12.829 7.481 1.00 0.00 O ATOM 640 CB LYS A 41 -9.394 12.060 5.435 1.00 0.00 C ATOM 641 CG LYS A 41 -10.623 12.718 4.800 1.00 0.00 C ATOM 642 CD LYS A 41 -10.584 12.520 3.282 1.00 0.00 C ATOM 643 CE LYS A 41 -11.830 13.146 2.651 1.00 0.00 C ATOM 644 NZ LYS A 41 -11.989 12.637 1.259 1.00 0.00 N ATOM 0 H LYS A 41 -8.169 10.930 7.730 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.063 13.658 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.505 12.280 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.512 10.976 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.534 12.283 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.643 13.782 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.685 12.978 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.539 11.457 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.712 12.902 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.741 14.232 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.835 13.061 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.151 12.892 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.092 11.602 1.277 1.00 0.00 H new ATOM 658 N GLY A 42 -10.365 11.340 8.611 1.00 0.00 N ATOM 659 CA GLY A 42 -11.551 10.984 9.440 1.00 0.00 C ATOM 660 C GLY A 42 -12.532 10.162 8.602 1.00 0.00 C ATOM 661 O GLY A 42 -13.448 9.556 9.119 1.00 0.00 O ATOM 0 H GLY A 42 -9.512 10.825 8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.238 10.415 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.037 11.889 9.805 1.00 0.00 H new ATOM 665 N GLY A 43 -12.344 10.136 7.310 1.00 0.00 N ATOM 666 CA GLY A 43 -13.265 9.354 6.436 1.00 0.00 C ATOM 667 C GLY A 43 -12.828 7.888 6.415 1.00 0.00 C ATOM 668 O GLY A 43 -13.092 7.166 5.475 1.00 0.00 O ATOM 0 H GLY A 43 -11.592 10.623 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.288 9.434 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.257 9.761 5.425 1.00 0.00 H new ATOM 672 N LYS A 44 -12.160 7.443 7.445 1.00 0.00 N ATOM 673 CA LYS A 44 -11.706 6.024 7.483 1.00 0.00 C ATOM 674 C LYS A 44 -10.839 5.734 6.258 1.00 0.00 C ATOM 675 O LYS A 44 -11.333 5.408 5.197 1.00 0.00 O ATOM 676 CB LYS A 44 -12.922 5.097 7.484 1.00 0.00 C ATOM 677 CG LYS A 44 -13.964 5.625 8.472 1.00 0.00 C ATOM 678 CD LYS A 44 -15.119 4.626 8.584 1.00 0.00 C ATOM 679 CE LYS A 44 -15.974 4.971 9.803 1.00 0.00 C ATOM 680 NZ LYS A 44 -15.246 4.587 11.046 1.00 0.00 N ATOM 0 H LYS A 44 -11.909 8.001 8.261 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.123 5.853 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.350 5.040 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.622 4.086 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.507 5.779 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.338 6.593 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.727 4.654 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.730 3.612 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.197 6.038 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.928 4.447 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.925 4.481 11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.750 3.686 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.555 5.326 11.286 1.00 0.00 H new ATOM 694 N ALA A 45 -9.546 5.851 6.397 1.00 0.00 N ATOM 695 CA ALA A 45 -8.639 5.583 5.244 1.00 0.00 C ATOM 696 C ALA A 45 -8.294 4.093 5.209 1.00 0.00 C ATOM 697 O ALA A 45 -7.772 3.545 6.159 1.00 0.00 O ATOM 698 CB ALA A 45 -7.355 6.398 5.405 1.00 0.00 C ATOM 0 H ALA A 45 -9.078 6.121 7.262 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.135 5.867 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.692 6.202 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.599 7.460 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.857 6.114 6.332 1.00 0.00 H new ATOM 704 N ILE A 46 -8.584 3.434 4.120 1.00 0.00 N ATOM 705 CA ILE A 46 -8.277 1.978 4.019 1.00 0.00 C ATOM 706 C ILE A 46 -6.855 1.798 3.479 1.00 0.00 C ATOM 707 O ILE A 46 -6.524 2.263 2.408 1.00 0.00 O ATOM 708 CB ILE A 46 -9.285 1.317 3.070 1.00 0.00 C ATOM 709 CG1 ILE A 46 -9.120 -0.207 3.131 1.00 0.00 C ATOM 710 CG2 ILE A 46 -9.062 1.809 1.633 1.00 0.00 C ATOM 711 CD1 ILE A 46 -10.268 -0.876 2.374 1.00 0.00 C ATOM 0 H ILE A 46 -9.021 3.842 3.294 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.348 1.512 5.002 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.295 1.586 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.164 -0.498 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.111 -0.541 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.783 1.333 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.192 2.890 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.052 1.554 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.150 -1.959 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.217 -0.595 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.256 -0.551 1.334 1.00 0.00 H new ATOM 723 N GLU A 47 -6.007 1.132 4.222 1.00 0.00 N ATOM 724 CA GLU A 47 -4.597 0.920 3.767 1.00 0.00 C ATOM 725 C GLU A 47 -4.456 -0.494 3.198 1.00 0.00 C ATOM 726 O GLU A 47 -5.370 -1.290 3.258 1.00 0.00 O ATOM 727 CB GLU A 47 -3.655 1.079 4.964 1.00 0.00 C ATOM 728 CG GLU A 47 -3.481 2.564 5.288 1.00 0.00 C ATOM 729 CD GLU A 47 -2.617 3.225 4.212 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.609 2.641 3.849 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.978 4.303 3.769 1.00 0.00 O ATOM 0 H GLU A 47 -6.231 0.723 5.129 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.344 1.650 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.058 0.553 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.687 0.630 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.454 3.052 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.015 2.681 6.266 1.00 0.00 H new ATOM 738 N TYR A 48 -3.311 -0.811 2.645 1.00 0.00 N ATOM 739 CA TYR A 48 -3.090 -2.176 2.067 1.00 0.00 C ATOM 740 C TYR A 48 -1.712 -2.694 2.492 1.00 0.00 C ATOM 741 O TYR A 48 -0.717 -2.011 2.366 1.00 0.00 O ATOM 742 CB TYR A 48 -3.155 -2.094 0.541 1.00 0.00 C ATOM 743 CG TYR A 48 -4.550 -1.689 0.120 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.627 -2.575 0.317 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.775 -0.429 -0.468 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.927 -2.202 -0.073 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.076 -0.056 -0.858 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.152 -0.942 -0.661 1.00 0.00 C ATOM 749 OH TYR A 48 -8.426 -0.576 -1.043 1.00 0.00 O ATOM 0 H TYR A 48 -2.514 -0.179 2.568 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.860 -2.856 2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.428 -1.370 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.896 -3.058 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.455 -3.541 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.950 0.251 -0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.752 -2.882 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.248 0.910 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.522 0.397 -0.972 1.00 0.00 H new ATOM 759 N ASN A 49 -1.642 -3.898 2.993 1.00 0.00 N ATOM 760 CA ASN A 49 -0.324 -4.449 3.421 1.00 0.00 C ATOM 761 C ASN A 49 0.475 -4.867 2.183 1.00 0.00 C ATOM 762 O ASN A 49 0.079 -5.747 1.444 1.00 0.00 O ATOM 763 CB ASN A 49 -0.548 -5.666 4.321 1.00 0.00 C ATOM 764 CG ASN A 49 0.799 -6.307 4.661 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.838 -5.790 4.300 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.825 -7.417 5.345 1.00 0.00 N ATOM 0 H ASN A 49 -2.438 -4.522 3.124 1.00 0.00 H new ATOM 0 HA ASN A 49 0.229 -3.689 3.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.060 -5.366 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.190 -6.389 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.718 -7.852 5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.047 -7.850 5.648 1.00 0.00 H new ATOM 773 N ALA A 50 1.595 -4.239 1.949 1.00 0.00 N ATOM 774 CA ALA A 50 2.420 -4.590 0.756 1.00 0.00 C ATOM 775 C ALA A 50 2.740 -6.087 0.759 1.00 0.00 C ATOM 776 O ALA A 50 2.894 -6.698 -0.280 1.00 0.00 O ATOM 777 CB ALA A 50 3.726 -3.794 0.787 1.00 0.00 C ATOM 0 H ALA A 50 1.976 -3.495 2.534 1.00 0.00 H new ATOM 0 HA ALA A 50 1.860 -4.346 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.329 -4.050 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.502 -2.727 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.279 -4.037 1.695 1.00 0.00 H new ATOM 783 N ASN A 51 2.847 -6.683 1.913 1.00 0.00 N ATOM 784 CA ASN A 51 3.165 -8.138 1.970 1.00 0.00 C ATOM 785 C ASN A 51 1.961 -8.947 1.480 1.00 0.00 C ATOM 786 O ASN A 51 2.085 -10.098 1.110 1.00 0.00 O ATOM 787 CB ASN A 51 3.493 -8.534 3.412 1.00 0.00 C ATOM 788 CG ASN A 51 4.715 -7.747 3.890 1.00 0.00 C ATOM 789 OD1 ASN A 51 5.814 -7.966 3.422 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.568 -6.835 4.812 1.00 0.00 N ATOM 0 H ASN A 51 2.728 -6.227 2.818 1.00 0.00 H new ATOM 0 HA ASN A 51 4.024 -8.345 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.640 -8.331 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.690 -9.604 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.376 -6.306 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.645 -6.651 5.205 1.00 0.00 H new ATOM 797 N SER A 52 0.797 -8.356 1.476 1.00 0.00 N ATOM 798 CA SER A 52 -0.417 -9.089 1.012 1.00 0.00 C ATOM 799 C SER A 52 -0.595 -8.891 -0.497 1.00 0.00 C ATOM 800 O SER A 52 -1.275 -9.654 -1.156 1.00 0.00 O ATOM 801 CB SER A 52 -1.643 -8.549 1.745 1.00 0.00 C ATOM 802 OG SER A 52 -1.582 -8.940 3.111 1.00 0.00 O ATOM 0 H SER A 52 0.634 -7.395 1.775 1.00 0.00 H new ATOM 0 HA SER A 52 -0.302 -10.152 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.679 -7.462 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.554 -8.932 1.285 1.00 0.00 H new ATOM 0 HG SER A 52 -2.368 -9.482 3.332 1.00 0.00 H new ATOM 808 N LEU A 53 0.010 -7.876 -1.052 1.00 0.00 N ATOM 809 CA LEU A 53 -0.129 -7.637 -2.520 1.00 0.00 C ATOM 810 C LEU A 53 0.581 -8.776 -3.280 1.00 0.00 C ATOM 811 O LEU A 53 1.555 -9.306 -2.783 1.00 0.00 O ATOM 812 CB LEU A 53 0.533 -6.299 -2.876 1.00 0.00 C ATOM 813 CG LEU A 53 -0.145 -5.147 -2.121 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.551 -3.834 -2.492 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.635 -5.063 -2.502 1.00 0.00 C ATOM 0 H LEU A 53 0.593 -7.203 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.183 -7.609 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.593 -6.333 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.465 -6.127 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.067 -5.323 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.077 -3.008 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.603 -3.889 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.469 -3.669 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.104 -4.242 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.727 -4.889 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.130 -5.999 -2.243 1.00 0.00 H new ATOM 827 N PRO A 54 0.100 -9.130 -4.463 1.00 0.00 N ATOM 828 CA PRO A 54 0.739 -10.205 -5.247 1.00 0.00 C ATOM 829 C PRO A 54 2.218 -9.864 -5.482 1.00 0.00 C ATOM 830 O PRO A 54 2.796 -9.054 -4.786 1.00 0.00 O ATOM 831 CB PRO A 54 -0.051 -10.258 -6.577 1.00 0.00 C ATOM 832 CG PRO A 54 -1.143 -9.150 -6.516 1.00 0.00 C ATOM 833 CD PRO A 54 -1.083 -8.515 -5.109 1.00 0.00 C ATOM 0 HA PRO A 54 0.718 -11.170 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.614 -10.095 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.507 -11.239 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.968 -8.397 -7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.130 -9.574 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.982 -7.431 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.993 -8.720 -4.544 1.00 0.00 H new ATOM 841 N VAL A 55 2.830 -10.477 -6.461 1.00 0.00 N ATOM 842 CA VAL A 55 4.268 -10.193 -6.746 1.00 0.00 C ATOM 843 C VAL A 55 4.372 -9.075 -7.784 1.00 0.00 C ATOM 844 O VAL A 55 5.235 -8.222 -7.709 1.00 0.00 O ATOM 845 CB VAL A 55 4.930 -11.454 -7.299 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.438 -11.230 -7.421 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.664 -12.626 -6.352 1.00 0.00 C ATOM 0 H VAL A 55 2.395 -11.164 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 55 4.767 -9.885 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 55 4.517 -11.679 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.909 -12.130 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.628 -10.395 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.853 -11.004 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.136 -13.526 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.077 -12.400 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.589 -12.788 -6.266 1.00 0.00 H new ATOM 857 N GLU A 56 3.504 -9.075 -8.758 1.00 0.00 N ATOM 858 CA GLU A 56 3.556 -8.017 -9.805 1.00 0.00 C ATOM 859 C GLU A 56 3.393 -6.641 -9.157 1.00 0.00 C ATOM 860 O GLU A 56 4.038 -5.685 -9.541 1.00 0.00 O ATOM 861 CB GLU A 56 2.426 -8.243 -10.812 1.00 0.00 C ATOM 862 CG GLU A 56 2.572 -9.629 -11.442 1.00 0.00 C ATOM 863 CD GLU A 56 1.471 -9.836 -12.483 1.00 0.00 C ATOM 864 OE1 GLU A 56 1.616 -9.322 -13.580 1.00 0.00 O ATOM 865 OE2 GLU A 56 0.501 -10.505 -12.166 1.00 0.00 O ATOM 0 H GLU A 56 2.760 -9.763 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 56 4.517 -8.062 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.460 -8.158 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.455 -7.476 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.552 -9.726 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.509 -10.398 -10.672 1.00 0.00 H new ATOM 872 N ALA A 57 2.535 -6.528 -8.180 1.00 0.00 N ATOM 873 CA ALA A 57 2.335 -5.209 -7.515 1.00 0.00 C ATOM 874 C ALA A 57 3.445 -4.976 -6.489 1.00 0.00 C ATOM 875 O ALA A 57 3.941 -3.878 -6.335 1.00 0.00 O ATOM 876 CB ALA A 57 0.978 -5.192 -6.813 1.00 0.00 C ATOM 0 H ALA A 57 1.965 -7.290 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 57 2.366 -4.418 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.832 -4.227 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.187 -5.352 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.945 -5.984 -6.065 1.00 0.00 H new ATOM 882 N LYS A 58 3.843 -6.001 -5.784 1.00 0.00 N ATOM 883 CA LYS A 58 4.922 -5.831 -4.771 1.00 0.00 C ATOM 884 C LYS A 58 6.203 -5.367 -5.467 1.00 0.00 C ATOM 885 O LYS A 58 6.732 -4.313 -5.174 1.00 0.00 O ATOM 886 CB LYS A 58 5.177 -7.163 -4.065 1.00 0.00 C ATOM 887 CG LYS A 58 6.144 -6.947 -2.898 1.00 0.00 C ATOM 888 CD LYS A 58 6.498 -8.296 -2.261 1.00 0.00 C ATOM 889 CE LYS A 58 5.242 -8.944 -1.665 1.00 0.00 C ATOM 890 NZ LYS A 58 5.642 -9.913 -0.606 1.00 0.00 N ATOM 0 H LYS A 58 3.468 -6.946 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 58 4.617 -5.086 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.238 -7.579 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.594 -7.885 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.049 -6.452 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.691 -6.291 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.937 -8.956 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.247 -8.154 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.588 -8.179 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.677 -9.454 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.792 -10.354 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.250 -10.649 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.164 -9.414 0.142 1.00 0.00 H new ATOM 904 N ALA A 59 6.705 -6.144 -6.386 1.00 0.00 N ATOM 905 CA ALA A 59 7.950 -5.744 -7.100 1.00 0.00 C ATOM 906 C ALA A 59 7.781 -4.332 -7.665 1.00 0.00 C ATOM 907 O ALA A 59 8.660 -3.500 -7.557 1.00 0.00 O ATOM 908 CB ALA A 59 8.220 -6.723 -8.244 1.00 0.00 C ATOM 0 H ALA A 59 6.307 -7.038 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 59 8.789 -5.760 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.131 -6.430 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.340 -7.729 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.382 -6.709 -8.941 1.00 0.00 H new ATOM 914 N ALA A 60 6.655 -4.054 -8.265 1.00 0.00 N ATOM 915 CA ALA A 60 6.431 -2.696 -8.834 1.00 0.00 C ATOM 916 C ALA A 60 6.347 -1.676 -7.697 1.00 0.00 C ATOM 917 O ALA A 60 6.736 -0.535 -7.843 1.00 0.00 O ATOM 918 CB ALA A 60 5.123 -2.683 -9.627 1.00 0.00 C ATOM 0 H ALA A 60 5.882 -4.708 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 60 7.258 -2.438 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.960 -1.689 -10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.181 -3.410 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.295 -2.941 -8.967 1.00 0.00 H new ATOM 924 N LEU A 61 5.843 -2.079 -6.565 1.00 0.00 N ATOM 925 CA LEU A 61 5.736 -1.133 -5.419 1.00 0.00 C ATOM 926 C LEU A 61 7.140 -0.688 -5.003 1.00 0.00 C ATOM 927 O LEU A 61 7.459 0.484 -5.014 1.00 0.00 O ATOM 928 CB LEU A 61 5.042 -1.835 -4.244 1.00 0.00 C ATOM 929 CG LEU A 61 4.772 -0.835 -3.099 1.00 0.00 C ATOM 930 CD1 LEU A 61 3.486 -0.046 -3.371 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.619 -1.598 -1.780 1.00 0.00 C ATOM 0 H LEU A 61 5.500 -3.022 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 61 5.152 -0.260 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.103 -2.275 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.666 -2.652 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 61 5.611 -0.142 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.309 0.655 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.588 0.505 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.645 -0.735 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.428 -0.892 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.785 -2.295 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.535 -2.151 -1.571 1.00 0.00 H new ATOM 943 N LEU A 62 7.984 -1.612 -4.636 1.00 0.00 N ATOM 944 CA LEU A 62 9.363 -1.233 -4.219 1.00 0.00 C ATOM 945 C LEU A 62 10.036 -0.446 -5.346 1.00 0.00 C ATOM 946 O LEU A 62 10.939 0.334 -5.119 1.00 0.00 O ATOM 947 CB LEU A 62 10.177 -2.498 -3.920 1.00 0.00 C ATOM 948 CG LEU A 62 9.334 -3.479 -3.100 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.213 -4.643 -2.639 1.00 0.00 C ATOM 950 CD2 LEU A 62 8.754 -2.763 -1.876 1.00 0.00 C ATOM 0 H LEU A 62 7.779 -2.611 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 62 9.314 -0.616 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.492 -2.967 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.083 -2.237 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 62 8.519 -3.858 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.614 -5.342 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.624 -5.156 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.028 -4.262 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.155 -3.464 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.567 -2.382 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.127 -1.934 -2.203 1.00 0.00 H new ATOM 962 N LEU A 63 9.604 -0.644 -6.561 1.00 0.00 N ATOM 963 CA LEU A 63 10.219 0.090 -7.702 1.00 0.00 C ATOM 964 C LEU A 63 9.849 1.575 -7.623 1.00 0.00 C ATOM 965 O LEU A 63 10.703 2.438 -7.656 1.00 0.00 O ATOM 966 CB LEU A 63 9.706 -0.496 -9.023 1.00 0.00 C ATOM 967 CG LEU A 63 10.526 0.057 -10.206 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.837 -0.725 -10.365 1.00 0.00 C ATOM 969 CD2 LEU A 63 9.712 -0.072 -11.498 1.00 0.00 C ATOM 0 H LEU A 63 8.850 -1.284 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 63 11.303 -0.013 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.777 -1.583 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.653 -0.248 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 63 10.756 1.104 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.402 -0.321 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.427 -0.635 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.614 -1.776 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.292 0.319 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.479 -1.121 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.786 0.495 -11.403 1.00 0.00 H new ATOM 981 N ARG A 64 8.582 1.880 -7.530 1.00 0.00 N ATOM 982 CA ARG A 64 8.165 3.311 -7.461 1.00 0.00 C ATOM 983 C ARG A 64 8.468 3.889 -6.074 1.00 0.00 C ATOM 984 O ARG A 64 8.073 4.993 -5.755 1.00 0.00 O ATOM 985 CB ARG A 64 6.667 3.427 -7.764 1.00 0.00 C ATOM 986 CG ARG A 64 5.834 2.555 -6.789 1.00 0.00 C ATOM 987 CD ARG A 64 4.523 3.271 -6.463 1.00 0.00 C ATOM 988 NE ARG A 64 4.846 4.603 -5.854 1.00 0.00 N ATOM 989 CZ ARG A 64 5.464 4.700 -4.710 1.00 0.00 C ATOM 990 NH1 ARG A 64 5.699 3.631 -4.000 1.00 0.00 N ATOM 991 NH2 ARG A 64 5.823 5.870 -4.263 1.00 0.00 N ATOM 0 H ARG A 64 7.820 1.203 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 64 8.726 3.879 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.355 4.468 -7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.475 3.116 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.629 1.583 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.398 2.371 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.928 3.402 -7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.927 2.674 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 64 4.576 5.454 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.399 2.717 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.183 3.709 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.620 6.708 -4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.307 5.948 -3.368 1.00 0.00 H new ATOM 1005 N GLN A 65 9.171 3.158 -5.248 1.00 0.00 N ATOM 1006 CA GLN A 65 9.507 3.671 -3.886 1.00 0.00 C ATOM 1007 C GLN A 65 10.868 4.373 -3.933 1.00 0.00 C ATOM 1008 O GLN A 65 11.862 3.793 -4.324 1.00 0.00 O ATOM 1009 CB GLN A 65 9.566 2.493 -2.903 1.00 0.00 C ATOM 1010 CG GLN A 65 8.147 2.105 -2.463 1.00 0.00 C ATOM 1011 CD GLN A 65 7.668 3.062 -1.366 1.00 0.00 C ATOM 1012 OE1 GLN A 65 7.691 2.725 -0.198 1.00 0.00 O ATOM 1013 NE2 GLN A 65 7.231 4.247 -1.691 1.00 0.00 N ATOM 0 H GLN A 65 9.528 2.226 -5.458 1.00 0.00 H new ATOM 0 HA GLN A 65 8.746 4.379 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.056 1.640 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.164 2.764 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.468 2.144 -3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.138 1.079 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.211 4.532 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.910 4.889 -0.966 1.00 0.00 H new ATOM 1022 N GLY A 66 10.921 5.614 -3.537 1.00 0.00 N ATOM 1023 CA GLY A 66 12.217 6.350 -3.559 1.00 0.00 C ATOM 1024 C GLY A 66 12.086 7.644 -2.755 1.00 0.00 C ATOM 1025 O GLY A 66 12.579 8.683 -3.147 1.00 0.00 O ATOM 0 H GLY A 66 10.123 6.151 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.007 5.728 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.501 6.576 -4.587 1.00 0.00 H new ATOM 1029 N GLU A 67 11.426 7.590 -1.630 1.00 0.00 N ATOM 1030 CA GLU A 67 11.266 8.819 -0.802 1.00 0.00 C ATOM 1031 C GLU A 67 10.714 8.441 0.574 1.00 0.00 C ATOM 1032 O GLU A 67 9.938 9.167 1.163 1.00 0.00 O ATOM 1033 CB GLU A 67 10.295 9.778 -1.496 1.00 0.00 C ATOM 1034 CG GLU A 67 9.030 9.019 -1.901 1.00 0.00 C ATOM 1035 CD GLU A 67 8.044 9.984 -2.561 1.00 0.00 C ATOM 1036 OE1 GLU A 67 8.416 10.597 -3.549 1.00 0.00 O ATOM 1037 OE2 GLU A 67 6.935 10.096 -2.067 1.00 0.00 O ATOM 0 H GLU A 67 10.991 6.749 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 67 12.234 9.305 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.040 10.601 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.766 10.216 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.282 8.213 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.573 8.559 -1.025 1.00 0.00 H new ATOM 1044 N ILE A 68 11.105 7.309 1.091 1.00 0.00 N ATOM 1045 CA ILE A 68 10.601 6.887 2.428 1.00 0.00 C ATOM 1046 C ILE A 68 11.145 7.835 3.499 1.00 0.00 C ATOM 1047 O ILE A 68 10.407 8.561 4.136 1.00 0.00 O ATOM 1048 CB ILE A 68 11.058 5.446 2.731 1.00 0.00 C ATOM 1049 CG1 ILE A 68 10.953 4.569 1.449 1.00 0.00 C ATOM 1050 CG2 ILE A 68 10.170 4.861 3.839 1.00 0.00 C ATOM 1051 CD1 ILE A 68 12.319 4.484 0.742 1.00 0.00 C ATOM 0 H ILE A 68 11.752 6.658 0.645 1.00 0.00 H new ATOM 0 HA ILE A 68 9.512 6.922 2.429 1.00 0.00 H new ATOM 0 HB ILE A 68 12.097 5.457 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.610 3.568 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.211 4.992 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.487 3.842 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.260 5.471 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.132 4.854 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.228 3.867 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.646 5.485 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.051 4.039 1.417 1.00 0.00 H new ATOM 1063 N GLU A 69 12.433 7.834 3.697 1.00 0.00 N ATOM 1064 CA GLU A 69 13.032 8.733 4.723 1.00 0.00 C ATOM 1065 C GLU A 69 12.370 8.476 6.078 1.00 0.00 C ATOM 1066 O GLU A 69 11.461 9.177 6.478 1.00 0.00 O ATOM 1067 CB GLU A 69 12.811 10.190 4.314 1.00 0.00 C ATOM 1068 CG GLU A 69 13.703 11.098 5.161 1.00 0.00 C ATOM 1069 CD GLU A 69 13.389 12.562 4.847 1.00 0.00 C ATOM 1070 OE1 GLU A 69 13.953 13.078 3.896 1.00 0.00 O ATOM 1071 OE2 GLU A 69 12.589 13.142 5.563 1.00 0.00 O ATOM 0 H GLU A 69 13.098 7.249 3.192 1.00 0.00 H new ATOM 0 HA GLU A 69 14.101 8.535 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.040 10.321 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.764 10.462 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.540 10.900 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.753 10.888 4.955 1.00 0.00 H new ATOM 1078 N THR A 70 12.819 7.478 6.791 1.00 0.00 N ATOM 1079 CA THR A 70 12.215 7.181 8.120 1.00 0.00 C ATOM 1080 C THR A 70 13.153 6.265 8.914 1.00 0.00 C ATOM 1081 O THR A 70 14.069 6.721 9.569 1.00 0.00 O ATOM 1082 CB THR A 70 10.860 6.493 7.923 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.002 7.350 7.182 1.00 0.00 O ATOM 1084 CG2 THR A 70 10.231 6.194 9.286 1.00 0.00 C ATOM 0 H THR A 70 13.577 6.857 6.510 1.00 0.00 H new ATOM 0 HA THR A 70 12.069 8.110 8.671 1.00 0.00 H new ATOM 0 HB THR A 70 11.002 5.559 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.255 8.283 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.268 5.705 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.890 5.538 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.087 7.126 9.833 1.00 0.00 H new ATOM 1092 N SER A 71 12.937 4.978 8.860 1.00 0.00 N ATOM 1093 CA SER A 71 13.820 4.040 9.612 1.00 0.00 C ATOM 1094 C SER A 71 15.070 3.743 8.782 1.00 0.00 C ATOM 1095 O SER A 71 16.162 3.628 9.303 1.00 0.00 O ATOM 1096 CB SER A 71 13.068 2.735 9.880 1.00 0.00 C ATOM 1097 OG SER A 71 11.914 3.011 10.664 1.00 0.00 O ATOM 0 H SER A 71 12.188 4.536 8.328 1.00 0.00 H new ATOM 0 HA SER A 71 14.109 4.495 10.559 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.779 2.268 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.715 2.029 10.400 1.00 0.00 H new ATOM 0 HG SER A 71 11.429 2.177 10.836 1.00 0.00 H new ATOM 1103 N LEU A 72 14.917 3.621 7.494 1.00 0.00 N ATOM 1104 CA LEU A 72 16.093 3.333 6.625 1.00 0.00 C ATOM 1105 C LEU A 72 16.996 4.563 6.566 1.00 0.00 C ATOM 1106 O LEU A 72 18.205 4.454 6.516 1.00 0.00 O ATOM 1107 CB LEU A 72 15.612 2.981 5.215 1.00 0.00 C ATOM 1108 CG LEU A 72 14.415 2.030 5.303 1.00 0.00 C ATOM 1109 CD1 LEU A 72 14.029 1.565 3.898 1.00 0.00 C ATOM 1110 CD2 LEU A 72 14.788 0.814 6.158 1.00 0.00 C ATOM 0 H LEU A 72 14.027 3.708 7.004 1.00 0.00 H new ATOM 0 HA LEU A 72 16.652 2.493 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 72 15.331 3.887 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 72 16.419 2.514 4.650 1.00 0.00 H new ATOM 0 HG LEU A 72 13.572 2.550 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.177 0.888 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.762 2.429 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.872 1.046 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.935 0.138 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 72 15.631 0.294 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 72 15.063 1.144 7.160 1.00 0.00 H new ATOM 1122 N GLY A 73 16.422 5.732 6.565 1.00 0.00 N ATOM 1123 CA GLY A 73 17.253 6.964 6.501 1.00 0.00 C ATOM 1124 C GLY A 73 17.972 7.017 5.152 1.00 0.00 C ATOM 1125 O GLY A 73 18.616 7.991 4.823 1.00 0.00 O ATOM 0 H GLY A 73 15.415 5.888 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.626 7.847 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.979 6.970 7.314 1.00 0.00 H new ATOM 1129 N TYR A 74 17.868 5.969 4.374 1.00 0.00 N ATOM 1130 CA TYR A 74 18.543 5.946 3.044 1.00 0.00 C ATOM 1131 C TYR A 74 20.058 5.888 3.252 1.00 0.00 C ATOM 1132 O TYR A 74 20.766 6.848 3.025 1.00 0.00 O ATOM 1133 CB TYR A 74 18.160 7.203 2.239 1.00 0.00 C ATOM 1134 CG TYR A 74 18.298 6.929 0.757 1.00 0.00 C ATOM 1135 CD1 TYR A 74 17.208 6.409 0.033 1.00 0.00 C ATOM 1136 CD2 TYR A 74 19.516 7.195 0.103 1.00 0.00 C ATOM 1137 CE1 TYR A 74 17.335 6.155 -1.346 1.00 0.00 C ATOM 1138 CE2 TYR A 74 19.644 6.940 -1.276 1.00 0.00 C ATOM 1139 CZ TYR A 74 18.554 6.419 -2.001 1.00 0.00 C ATOM 1140 OH TYR A 74 18.679 6.171 -3.352 1.00 0.00 O ATOM 0 H TYR A 74 17.342 5.126 4.605 1.00 0.00 H new ATOM 0 HA TYR A 74 18.223 5.067 2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 74 17.135 7.495 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 74 18.801 8.037 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 74 16.274 6.205 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 74 20.352 7.594 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 74 16.498 5.758 -1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 74 20.578 7.144 -1.778 1.00 0.00 H new ATOM 0 HH TYR A 74 19.583 6.409 -3.646 1.00 0.00 H new ATOM 1150 N PHE A 75 20.553 4.762 3.688 1.00 0.00 N ATOM 1151 CA PHE A 75 22.021 4.618 3.921 1.00 0.00 C ATOM 1152 C PHE A 75 22.459 5.585 5.024 1.00 0.00 C ATOM 1153 O PHE A 75 23.607 5.975 5.101 1.00 0.00 O ATOM 1154 CB PHE A 75 22.785 4.925 2.624 1.00 0.00 C ATOM 1155 CG PHE A 75 24.172 4.327 2.693 1.00 0.00 C ATOM 1156 CD1 PHE A 75 24.365 2.962 2.408 1.00 0.00 C ATOM 1157 CD2 PHE A 75 25.270 5.135 3.044 1.00 0.00 C ATOM 1158 CE1 PHE A 75 25.656 2.405 2.472 1.00 0.00 C ATOM 1159 CE2 PHE A 75 26.563 4.578 3.108 1.00 0.00 C ATOM 1160 CZ PHE A 75 26.756 3.213 2.822 1.00 0.00 C ATOM 0 H PHE A 75 20.001 3.929 3.895 1.00 0.00 H new ATOM 0 HA PHE A 75 22.241 3.596 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 75 22.246 4.518 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 75 22.851 6.003 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 75 23.522 2.342 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 75 25.122 6.182 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 75 25.804 1.358 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.406 5.198 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 75 27.747 2.786 2.871 1.00 0.00 H new ATOM 1170 N GLU A 76 21.554 5.972 5.882 1.00 0.00 N ATOM 1171 CA GLU A 76 21.918 6.909 6.982 1.00 0.00 C ATOM 1172 C GLU A 76 22.677 8.108 6.407 1.00 0.00 C ATOM 1173 O GLU A 76 23.871 8.055 6.195 1.00 0.00 O ATOM 1174 CB GLU A 76 22.805 6.184 7.996 1.00 0.00 C ATOM 1175 CG GLU A 76 22.126 4.883 8.431 1.00 0.00 C ATOM 1176 CD GLU A 76 23.027 4.141 9.419 1.00 0.00 C ATOM 1177 OE1 GLU A 76 22.986 4.473 10.592 1.00 0.00 O ATOM 1178 OE2 GLU A 76 23.743 3.253 8.985 1.00 0.00 O ATOM 1179 OXT GLU A 76 21.992 9.191 6.158 1.00 0.00 O ATOM 0 H GLU A 76 20.577 5.679 5.868 1.00 0.00 H new ATOM 0 HA GLU A 76 21.010 7.258 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.778 5.969 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.981 6.822 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.163 5.100 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.928 4.256 7.562 1.00 0.00 H new TER 1186 GLU A 76