USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 25 MET CE :methyl -146:sc= -1.49 (180deg=-1.56) USER MOD Set 1.2: A 40 CYS SG : rot -50:sc= -1.34 USER MOD Set 2.1: A 26 GLN : amide:sc= -1.31 K(o=-0.28,f=-4.8!) USER MOD Set 2.2: A 30 SER OG : rot 100:sc= 1.02 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -148:sc= -0.423 (180deg=-1.36) USER MOD Set 3.2: A 10 ASN : amide:sc= -3.05 K(o=-4.3,f=-5.7) USER MOD Set 3.3: A 39 TYR OH : rot 180:sc= -0.82 USER MOD Single : A 1 ASP N :NH3+ -167:sc= -0.0229 (180deg=-0.184) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 10:sc= -1.61 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.596 USER MOD Single : A 17 TYR OH : rot 37:sc= -0.473 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 22 SER OG : rot -90:sc= 1.23 USER MOD Single : A 24 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.41) USER MOD Single : A 27 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.05) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.339 K(o=-0.34,f=-5.5!) USER MOD Single : A 53 SER OG : rot -50:sc= -0.387 USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= 0.524 (180deg=-0.263) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 71 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.737 12.694 -2.719 1.00 0.00 N ATOM 2 CA ASP A 1 -3.660 12.946 -1.256 1.00 0.00 C ATOM 3 C ASP A 1 -4.184 11.754 -0.461 1.00 0.00 C ATOM 4 O ASP A 1 -3.748 11.503 0.662 1.00 0.00 O ATOM 5 CB ASP A 1 -4.481 14.195 -0.932 1.00 0.00 C ATOM 6 CG ASP A 1 -3.973 14.918 0.300 1.00 0.00 C ATOM 7 OD1 ASP A 1 -3.975 14.308 1.390 1.00 0.00 O ATOM 8 OD2 ASP A 1 -3.571 16.095 0.175 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.181 13.413 -3.225 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.355 11.750 -2.929 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.729 12.743 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 1 -2.618 13.096 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -4.456 14.874 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.523 13.912 -0.780 1.00 0.00 H new ATOM 15 N VAL A 2 -5.124 11.023 -1.052 1.00 0.00 N ATOM 16 CA VAL A 2 -5.710 9.858 -0.401 1.00 0.00 C ATOM 17 C VAL A 2 -4.644 8.817 -0.071 1.00 0.00 C ATOM 18 O VAL A 2 -3.981 8.288 -0.963 1.00 0.00 O ATOM 19 CB VAL A 2 -6.792 9.207 -1.286 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.447 8.037 -0.565 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.834 10.236 -1.698 1.00 0.00 C ATOM 0 H VAL A 2 -5.496 11.218 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.169 10.209 0.524 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.312 8.824 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.207 7.593 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.692 7.288 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.912 8.391 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.590 9.759 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.307 10.651 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.353 11.037 -2.259 1.00 0.00 H new ATOM 31 N MET A 3 -4.488 8.525 1.217 1.00 0.00 N ATOM 32 CA MET A 3 -3.508 7.543 1.667 1.00 0.00 C ATOM 33 C MET A 3 -4.055 6.128 1.504 1.00 0.00 C ATOM 34 O MET A 3 -5.265 5.930 1.400 1.00 0.00 O ATOM 35 CB MET A 3 -3.137 7.797 3.128 1.00 0.00 C ATOM 36 CG MET A 3 -2.507 9.160 3.369 1.00 0.00 C ATOM 37 SD MET A 3 -2.341 9.547 5.122 1.00 0.00 S ATOM 38 CE MET A 3 -1.208 10.932 5.057 1.00 0.00 C ATOM 0 H MET A 3 -5.028 8.955 1.968 1.00 0.00 H new ATOM 0 HA MET A 3 -2.613 7.643 1.053 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.033 7.707 3.742 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.445 7.023 3.458 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.524 9.190 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.114 9.927 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.007 11.285 6.068 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.275 10.617 4.590 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.652 11.738 4.473 1.00 0.00 H new ATOM 48 N TRP A 4 -3.160 5.145 1.478 1.00 0.00 N ATOM 49 CA TRP A 4 -3.571 3.753 1.320 1.00 0.00 C ATOM 50 C TRP A 4 -2.680 2.808 2.120 1.00 0.00 C ATOM 51 O TRP A 4 -1.490 2.672 1.839 1.00 0.00 O ATOM 52 CB TRP A 4 -3.542 3.356 -0.155 1.00 0.00 C ATOM 53 CG TRP A 4 -4.545 4.092 -0.989 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.495 5.403 -1.365 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.749 3.558 -1.549 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.595 5.717 -2.125 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.381 4.601 -2.252 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.355 2.299 -1.525 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.587 4.423 -2.924 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.552 2.124 -2.193 1.00 0.00 C ATOM 61 CH2 TRP A 4 -8.157 3.181 -2.885 1.00 0.00 C ATOM 0 H TRP A 4 -2.153 5.284 1.564 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.588 3.668 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.544 3.540 -0.554 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -3.726 2.285 -0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.706 6.092 -1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.795 6.632 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.896 1.478 -0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.056 5.237 -3.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.029 1.155 -2.181 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -9.092 3.011 -3.398 1.00 0.00 H new ATOM 72 N GLU A 5 -3.273 2.144 3.110 1.00 0.00 N ATOM 73 CA GLU A 5 -2.542 1.197 3.946 1.00 0.00 C ATOM 74 C GLU A 5 -2.209 -0.064 3.154 1.00 0.00 C ATOM 75 O GLU A 5 -2.951 -0.442 2.250 1.00 0.00 O ATOM 76 CB GLU A 5 -3.361 0.829 5.185 1.00 0.00 C ATOM 77 CG GLU A 5 -4.821 0.528 4.884 1.00 0.00 C ATOM 78 CD GLU A 5 -5.499 -0.243 6.000 1.00 0.00 C ATOM 79 OE1 GLU A 5 -5.853 0.380 7.023 1.00 0.00 O ATOM 80 OE2 GLU A 5 -5.677 -1.471 5.851 1.00 0.00 O ATOM 0 H GLU A 5 -4.259 2.245 3.352 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.614 1.671 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.911 -0.041 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.308 1.649 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.354 1.464 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.887 -0.045 3.959 1.00 0.00 H new ATOM 87 N TYR A 6 -1.097 -0.712 3.492 1.00 0.00 N ATOM 88 CA TYR A 6 -0.687 -1.929 2.798 1.00 0.00 C ATOM 89 C TYR A 6 -0.190 -2.993 3.776 1.00 0.00 C ATOM 90 O TYR A 6 0.506 -2.689 4.746 1.00 0.00 O ATOM 91 CB TYR A 6 0.396 -1.615 1.755 1.00 0.00 C ATOM 92 CG TYR A 6 1.785 -1.427 2.329 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.523 -2.513 2.782 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.359 -0.165 2.411 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.793 -2.348 3.299 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.629 0.009 2.928 1.00 0.00 C ATOM 97 CZ TYR A 6 4.342 -1.086 3.370 1.00 0.00 C ATOM 98 OH TYR A 6 5.606 -0.917 3.884 1.00 0.00 O ATOM 0 H TYR A 6 -0.467 -0.417 4.238 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.563 -2.329 2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.425 -2.424 1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.113 -0.710 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.096 -3.504 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.804 0.694 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.353 -3.204 3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.061 0.997 2.986 1.00 0.00 H new ATOM 0 HH TYR A 6 6.028 -1.793 4.009 1.00 0.00 H new ATOM 108 N LYS A 7 -0.546 -4.244 3.497 1.00 0.00 N ATOM 109 CA LYS A 7 -0.136 -5.369 4.327 1.00 0.00 C ATOM 110 C LYS A 7 0.434 -6.481 3.448 1.00 0.00 C ATOM 111 O LYS A 7 -0.230 -6.957 2.527 1.00 0.00 O ATOM 112 CB LYS A 7 -1.321 -5.892 5.145 1.00 0.00 C ATOM 113 CG LYS A 7 -1.003 -7.130 5.970 1.00 0.00 C ATOM 114 CD LYS A 7 -2.217 -7.600 6.759 1.00 0.00 C ATOM 115 CE LYS A 7 -3.426 -7.809 5.858 1.00 0.00 C ATOM 116 NZ LYS A 7 -4.384 -8.792 6.434 1.00 0.00 N ATOM 0 H LYS A 7 -1.122 -4.503 2.696 1.00 0.00 H new ATOM 0 HA LYS A 7 0.636 -5.033 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.666 -5.102 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.144 -6.120 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.663 -7.930 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.184 -6.912 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.980 -8.532 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.458 -6.866 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.932 -6.856 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.094 -8.156 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.855 -9.309 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.870 -9.464 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.097 -8.291 7.002 1.00 0.00 H new ATOM 130 N TRP A 8 1.669 -6.882 3.728 1.00 0.00 N ATOM 131 CA TRP A 8 2.327 -7.928 2.951 1.00 0.00 C ATOM 132 C TRP A 8 1.581 -9.251 3.064 1.00 0.00 C ATOM 133 O TRP A 8 1.166 -9.831 2.061 1.00 0.00 O ATOM 134 CB TRP A 8 3.772 -8.111 3.418 1.00 0.00 C ATOM 135 CG TRP A 8 4.612 -6.879 3.273 1.00 0.00 C ATOM 136 CD1 TRP A 8 5.002 -6.032 4.270 1.00 0.00 C ATOM 137 CD2 TRP A 8 5.175 -6.358 2.061 1.00 0.00 C ATOM 138 NE1 TRP A 8 5.772 -5.019 3.754 1.00 0.00 N ATOM 139 CE2 TRP A 8 5.892 -5.196 2.402 1.00 0.00 C ATOM 140 CE3 TRP A 8 5.141 -6.761 0.724 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.570 -4.435 1.454 1.00 0.00 C ATOM 142 CZ3 TRP A 8 5.815 -6.004 -0.216 1.00 0.00 C ATOM 143 CH2 TRP A 8 6.521 -4.853 0.154 1.00 0.00 C ATOM 0 H TRP A 8 2.235 -6.500 4.486 1.00 0.00 H new ATOM 0 HA TRP A 8 2.322 -7.617 1.906 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.770 -8.418 4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.229 -8.921 2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.743 -6.143 5.313 1.00 0.00 H new ATOM 0 HE1 TRP A 8 6.187 -4.258 4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.598 -7.647 0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 7.115 -3.546 1.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.797 -6.305 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 8 7.038 -4.283 -0.604 1.00 0.00 H new ATOM 154 N GLU A 9 1.424 -9.729 4.293 1.00 0.00 N ATOM 155 CA GLU A 9 0.738 -10.992 4.538 1.00 0.00 C ATOM 156 C GLU A 9 -0.701 -10.760 4.987 1.00 0.00 C ATOM 157 O GLU A 9 -0.952 -10.034 5.948 1.00 0.00 O ATOM 158 CB GLU A 9 1.487 -11.806 5.597 1.00 0.00 C ATOM 159 CG GLU A 9 2.994 -11.816 5.401 1.00 0.00 C ATOM 160 CD GLU A 9 3.717 -10.924 6.391 1.00 0.00 C ATOM 161 OE1 GLU A 9 3.525 -9.692 6.330 1.00 0.00 O ATOM 162 OE2 GLU A 9 4.476 -11.458 7.227 1.00 0.00 O ATOM 0 H GLU A 9 1.762 -9.262 5.134 1.00 0.00 H new ATOM 0 HA GLU A 9 0.720 -11.549 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.260 -11.401 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.120 -12.832 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.363 -12.837 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.227 -11.491 4.387 1.00 0.00 H new ATOM 169 N ASN A 10 -1.640 -11.386 4.286 1.00 0.00 N ATOM 170 CA ASN A 10 -3.056 -11.252 4.614 1.00 0.00 C ATOM 171 C ASN A 10 -3.414 -12.113 5.823 1.00 0.00 C ATOM 172 O ASN A 10 -4.250 -13.012 5.734 1.00 0.00 O ATOM 173 CB ASN A 10 -3.918 -11.651 3.414 1.00 0.00 C ATOM 174 CG ASN A 10 -5.398 -11.436 3.666 1.00 0.00 C ATOM 175 OD1 ASN A 10 -5.790 -10.878 4.691 1.00 0.00 O ATOM 176 ND2 ASN A 10 -6.228 -11.879 2.730 1.00 0.00 N ATOM 0 H ASN A 10 -1.447 -11.991 3.488 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.252 -10.209 4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.613 -11.071 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.742 -12.700 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.235 -11.763 2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.859 -12.336 1.896 1.00 0.00 H new ATOM 183 N THR A 11 -2.770 -11.834 6.953 1.00 0.00 N ATOM 184 CA THR A 11 -3.014 -12.582 8.178 1.00 0.00 C ATOM 185 C THR A 11 -3.708 -11.710 9.219 1.00 0.00 C ATOM 186 O THR A 11 -4.003 -10.542 8.968 1.00 0.00 O ATOM 187 CB THR A 11 -1.695 -13.112 8.748 1.00 0.00 C ATOM 188 OG1 THR A 11 -1.053 -12.123 9.534 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.715 -13.558 7.685 1.00 0.00 C ATOM 0 H THR A 11 -2.074 -11.094 7.043 1.00 0.00 H new ATOM 0 HA THR A 11 -3.665 -13.422 7.936 1.00 0.00 H new ATOM 0 HB THR A 11 -1.972 -13.978 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.214 -12.482 9.890 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.196 -13.921 8.160 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.160 -14.358 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.475 -12.716 7.035 1.00 0.00 H new ATOM 197 N GLY A 12 -3.954 -12.283 10.390 1.00 0.00 N ATOM 198 CA GLY A 12 -4.598 -11.542 11.457 1.00 0.00 C ATOM 199 C GLY A 12 -3.596 -10.844 12.358 1.00 0.00 C ATOM 200 O GLY A 12 -3.967 -10.002 13.175 1.00 0.00 O ATOM 0 H GLY A 12 -3.719 -13.248 10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.274 -10.803 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.207 -12.222 12.053 1.00 0.00 H new ATOM 204 N ASP A 13 -2.320 -11.193 12.205 1.00 0.00 N ATOM 205 CA ASP A 13 -1.259 -10.596 13.007 1.00 0.00 C ATOM 206 C ASP A 13 -0.343 -9.727 12.148 1.00 0.00 C ATOM 207 O ASP A 13 0.387 -8.883 12.668 1.00 0.00 O ATOM 208 CB ASP A 13 -0.442 -11.686 13.703 1.00 0.00 C ATOM 209 CG ASP A 13 -1.197 -12.330 14.850 1.00 0.00 C ATOM 210 OD1 ASP A 13 -2.006 -11.631 15.495 1.00 0.00 O ATOM 211 OD2 ASP A 13 -0.978 -13.533 15.103 1.00 0.00 O ATOM 0 H ASP A 13 -1.997 -11.888 11.531 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.725 -9.962 13.761 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.168 -12.451 12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.487 -11.256 14.078 1.00 0.00 H new ATOM 216 N ALA A 14 -0.383 -9.936 10.831 1.00 0.00 N ATOM 217 CA ALA A 14 0.446 -9.168 9.904 1.00 0.00 C ATOM 218 C ALA A 14 0.413 -7.679 10.236 1.00 0.00 C ATOM 219 O ALA A 14 -0.610 -7.154 10.676 1.00 0.00 O ATOM 220 CB ALA A 14 -0.016 -9.396 8.471 1.00 0.00 C ATOM 0 H ALA A 14 -0.981 -10.631 10.384 1.00 0.00 H new ATOM 0 HA ALA A 14 1.474 -9.515 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.610 -8.818 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.065 -10.455 8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.053 -9.078 8.368 1.00 0.00 H new ATOM 226 N GLU A 15 1.536 -7.003 10.020 1.00 0.00 N ATOM 227 CA GLU A 15 1.632 -5.578 10.295 1.00 0.00 C ATOM 228 C GLU A 15 0.593 -4.804 9.494 1.00 0.00 C ATOM 229 O GLU A 15 -0.177 -5.383 8.728 1.00 0.00 O ATOM 230 CB GLU A 15 3.034 -5.065 9.964 1.00 0.00 C ATOM 231 CG GLU A 15 4.003 -5.143 11.133 1.00 0.00 C ATOM 232 CD GLU A 15 3.708 -4.109 12.202 1.00 0.00 C ATOM 233 OE1 GLU A 15 3.575 -2.917 11.855 1.00 0.00 O ATOM 234 OE2 GLU A 15 3.613 -4.491 13.388 1.00 0.00 O ATOM 0 H GLU A 15 2.392 -7.421 9.655 1.00 0.00 H new ATOM 0 HA GLU A 15 1.440 -5.423 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.436 -5.642 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.963 -4.030 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.957 -6.139 11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.020 -5.003 10.767 1.00 0.00 H new ATOM 241 N LEU A 16 0.579 -3.492 9.677 1.00 0.00 N ATOM 242 CA LEU A 16 -0.362 -2.632 8.973 1.00 0.00 C ATOM 243 C LEU A 16 0.265 -1.280 8.665 1.00 0.00 C ATOM 244 O LEU A 16 0.156 -0.339 9.452 1.00 0.00 O ATOM 245 CB LEU A 16 -1.634 -2.442 9.801 1.00 0.00 C ATOM 246 CG LEU A 16 -2.916 -2.259 8.985 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.752 -1.127 7.982 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.284 -3.554 8.276 1.00 0.00 C ATOM 0 H LEU A 16 1.210 -2.998 10.308 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.622 -3.115 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.757 -3.306 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.504 -1.572 10.445 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.726 -1.998 9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.673 -1.011 7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.535 -0.200 8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.931 -1.358 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.198 -3.407 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.475 -3.844 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.443 -4.340 9.014 1.00 0.00 H new ATOM 260 N TYR A 17 0.918 -1.188 7.514 1.00 0.00 N ATOM 261 CA TYR A 17 1.562 0.052 7.097 1.00 0.00 C ATOM 262 C TYR A 17 0.782 0.699 5.958 1.00 0.00 C ATOM 263 O TYR A 17 -0.382 0.371 5.726 1.00 0.00 O ATOM 264 CB TYR A 17 3.000 -0.217 6.651 1.00 0.00 C ATOM 265 CG TYR A 17 3.837 -0.958 7.669 1.00 0.00 C ATOM 266 CD1 TYR A 17 4.209 -0.355 8.863 1.00 0.00 C ATOM 267 CD2 TYR A 17 4.264 -2.257 7.428 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.983 -1.025 9.789 1.00 0.00 C ATOM 269 CE2 TYR A 17 5.036 -2.936 8.351 1.00 0.00 C ATOM 270 CZ TYR A 17 5.393 -2.315 9.529 1.00 0.00 C ATOM 271 OH TYR A 17 6.165 -2.988 10.449 1.00 0.00 O ATOM 0 H TYR A 17 1.016 -1.957 6.852 1.00 0.00 H new ATOM 0 HA TYR A 17 1.577 0.733 7.948 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.980 -0.793 5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.482 0.734 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.888 0.655 9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.988 -2.744 6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.266 -0.541 10.712 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.358 -3.947 8.151 1.00 0.00 H new ATOM 0 HH TYR A 17 5.874 -2.753 11.355 1.00 0.00 H new ATOM 281 N GLY A 18 1.432 1.608 5.243 1.00 0.00 N ATOM 282 CA GLY A 18 0.795 2.273 4.132 1.00 0.00 C ATOM 283 C GLY A 18 0.047 3.542 4.510 1.00 0.00 C ATOM 284 O GLY A 18 -0.872 3.941 3.796 1.00 0.00 O ATOM 0 H GLY A 18 2.395 1.895 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.552 2.519 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.098 1.581 3.660 1.00 0.00 H new ATOM 288 N PRO A 19 0.414 4.229 5.608 1.00 0.00 N ATOM 289 CA PRO A 19 -0.256 5.468 5.998 1.00 0.00 C ATOM 290 C PRO A 19 0.214 6.654 5.153 1.00 0.00 C ATOM 291 O PRO A 19 -0.015 7.811 5.502 1.00 0.00 O ATOM 292 CB PRO A 19 0.165 5.645 7.453 1.00 0.00 C ATOM 293 CG PRO A 19 1.518 5.026 7.521 1.00 0.00 C ATOM 294 CD PRO A 19 1.508 3.883 6.538 1.00 0.00 C ATOM 0 HA PRO A 19 -1.336 5.423 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.194 6.698 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.532 5.154 8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.291 5.751 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.733 4.671 8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.462 3.794 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.325 2.930 7.034 1.00 0.00 H new ATOM 302 N PHE A 20 0.879 6.346 4.041 1.00 0.00 N ATOM 303 CA PHE A 20 1.397 7.359 3.135 1.00 0.00 C ATOM 304 C PHE A 20 0.348 7.745 2.099 1.00 0.00 C ATOM 305 O PHE A 20 -0.658 7.053 1.931 1.00 0.00 O ATOM 306 CB PHE A 20 2.659 6.839 2.440 1.00 0.00 C ATOM 307 CG PHE A 20 3.469 5.900 3.295 1.00 0.00 C ATOM 308 CD1 PHE A 20 3.215 4.536 3.280 1.00 0.00 C ATOM 309 CD2 PHE A 20 4.474 6.382 4.117 1.00 0.00 C ATOM 310 CE1 PHE A 20 3.950 3.672 4.069 1.00 0.00 C ATOM 311 CE2 PHE A 20 5.213 5.521 4.907 1.00 0.00 C ATOM 312 CZ PHE A 20 4.950 4.166 4.883 1.00 0.00 C ATOM 0 H PHE A 20 1.071 5.389 3.747 1.00 0.00 H new ATOM 0 HA PHE A 20 1.647 8.248 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.374 6.327 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.282 7.686 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.434 4.145 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.683 7.441 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.743 2.612 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.996 5.908 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.526 3.493 5.501 1.00 0.00 H new ATOM 322 N THR A 21 0.587 8.853 1.409 1.00 0.00 N ATOM 323 CA THR A 21 -0.339 9.332 0.388 1.00 0.00 C ATOM 324 C THR A 21 -0.313 8.429 -0.837 1.00 0.00 C ATOM 325 O THR A 21 0.721 7.850 -1.169 1.00 0.00 O ATOM 326 CB THR A 21 0.011 10.766 -0.014 1.00 0.00 C ATOM 327 OG1 THR A 21 1.409 10.911 -0.187 1.00 0.00 O ATOM 328 CG2 THR A 21 -0.436 11.799 0.999 1.00 0.00 C ATOM 0 H THR A 21 1.413 9.437 1.537 1.00 0.00 H new ATOM 0 HA THR A 21 -1.345 9.314 0.808 1.00 0.00 H new ATOM 0 HB THR A 21 -0.523 10.942 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.613 11.834 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.157 12.794 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.518 11.747 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.045 11.601 1.957 1.00 0.00 H new ATOM 336 N SER A 22 -1.456 8.320 -1.514 1.00 0.00 N ATOM 337 CA SER A 22 -1.557 7.495 -2.713 1.00 0.00 C ATOM 338 C SER A 22 -0.383 7.773 -3.645 1.00 0.00 C ATOM 339 O SER A 22 0.072 6.894 -4.376 1.00 0.00 O ATOM 340 CB SER A 22 -2.877 7.764 -3.439 1.00 0.00 C ATOM 341 OG SER A 22 -3.312 9.096 -3.226 1.00 0.00 O ATOM 0 H SER A 22 -2.321 8.792 -1.252 1.00 0.00 H new ATOM 0 HA SER A 22 -1.531 6.447 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.752 7.585 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.638 7.068 -3.086 1.00 0.00 H new ATOM 0 HG SER A 22 -3.880 9.131 -2.428 1.00 0.00 H new ATOM 347 N ALA A 23 0.111 9.005 -3.592 1.00 0.00 N ATOM 348 CA ALA A 23 1.241 9.416 -4.407 1.00 0.00 C ATOM 349 C ALA A 23 2.481 8.610 -4.043 1.00 0.00 C ATOM 350 O ALA A 23 3.191 8.109 -4.915 1.00 0.00 O ATOM 351 CB ALA A 23 1.499 10.902 -4.217 1.00 0.00 C ATOM 0 H ALA A 23 -0.259 9.739 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 23 1.008 9.229 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.347 11.205 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.615 11.466 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.719 11.102 -3.168 1.00 0.00 H new ATOM 357 N GLN A 24 2.729 8.486 -2.742 1.00 0.00 N ATOM 358 CA GLN A 24 3.877 7.735 -2.248 1.00 0.00 C ATOM 359 C GLN A 24 3.649 6.239 -2.414 1.00 0.00 C ATOM 360 O GLN A 24 4.584 5.480 -2.674 1.00 0.00 O ATOM 361 CB GLN A 24 4.133 8.068 -0.776 1.00 0.00 C ATOM 362 CG GLN A 24 5.573 7.842 -0.343 1.00 0.00 C ATOM 363 CD GLN A 24 6.562 8.645 -1.164 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.542 9.875 -1.151 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.435 7.949 -1.884 1.00 0.00 N ATOM 0 H GLN A 24 2.149 8.897 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 24 4.752 8.019 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.867 9.110 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.476 7.460 -0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.678 8.109 0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.812 6.782 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.415 6.929 -1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.126 8.434 -2.457 1.00 0.00 H new ATOM 374 N MET A 25 2.398 5.827 -2.269 1.00 0.00 N ATOM 375 CA MET A 25 2.033 4.423 -2.410 1.00 0.00 C ATOM 376 C MET A 25 2.115 3.999 -3.871 1.00 0.00 C ATOM 377 O MET A 25 2.619 2.923 -4.189 1.00 0.00 O ATOM 378 CB MET A 25 0.621 4.181 -1.873 1.00 0.00 C ATOM 379 CG MET A 25 0.568 3.965 -0.368 1.00 0.00 C ATOM 380 SD MET A 25 1.557 2.554 0.168 1.00 0.00 S ATOM 381 CE MET A 25 1.111 1.336 -1.066 1.00 0.00 C ATOM 0 H MET A 25 1.616 6.446 -2.053 1.00 0.00 H new ATOM 0 HA MET A 25 2.735 3.825 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.007 5.033 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.197 3.309 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.922 4.864 0.137 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.468 3.815 -0.063 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.103 0.345 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.120 1.563 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.838 1.358 -1.878 1.00 0.00 H new ATOM 391 N GLN A 26 1.624 4.860 -4.757 1.00 0.00 N ATOM 392 CA GLN A 26 1.649 4.581 -6.187 1.00 0.00 C ATOM 393 C GLN A 26 3.083 4.381 -6.665 1.00 0.00 C ATOM 394 O GLN A 26 3.371 3.460 -7.428 1.00 0.00 O ATOM 395 CB GLN A 26 0.987 5.725 -6.962 1.00 0.00 C ATOM 396 CG GLN A 26 1.093 5.592 -8.476 1.00 0.00 C ATOM 397 CD GLN A 26 0.743 4.202 -8.972 1.00 0.00 C ATOM 398 OE1 GLN A 26 1.368 3.686 -9.898 1.00 0.00 O ATOM 399 NE2 GLN A 26 -0.261 3.587 -8.358 1.00 0.00 N ATOM 0 H GLN A 26 1.204 5.756 -4.509 1.00 0.00 H new ATOM 0 HA GLN A 26 1.090 3.663 -6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.066 5.776 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.443 6.667 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.430 6.318 -8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.108 5.839 -8.787 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.753 4.051 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.540 2.651 -8.650 1.00 0.00 H new ATOM 408 N THR A 27 3.980 5.248 -6.207 1.00 0.00 N ATOM 409 CA THR A 27 5.386 5.166 -6.582 1.00 0.00 C ATOM 410 C THR A 27 5.971 3.810 -6.199 1.00 0.00 C ATOM 411 O THR A 27 6.548 3.112 -7.034 1.00 0.00 O ATOM 412 CB THR A 27 6.180 6.288 -5.910 1.00 0.00 C ATOM 413 OG1 THR A 27 5.589 7.548 -6.175 1.00 0.00 O ATOM 414 CG2 THR A 27 7.623 6.353 -6.361 1.00 0.00 C ATOM 0 H THR A 27 3.757 6.017 -5.575 1.00 0.00 H new ATOM 0 HA THR A 27 5.457 5.279 -7.664 1.00 0.00 H new ATOM 0 HB THR A 27 6.160 6.059 -4.845 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.801 7.666 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.129 7.170 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.121 5.412 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.661 6.524 -7.437 1.00 0.00 H new ATOM 422 N TRP A 28 5.816 3.442 -4.930 1.00 0.00 N ATOM 423 CA TRP A 28 6.324 2.171 -4.433 1.00 0.00 C ATOM 424 C TRP A 28 5.660 0.999 -5.152 1.00 0.00 C ATOM 425 O TRP A 28 6.320 0.026 -5.517 1.00 0.00 O ATOM 426 CB TRP A 28 6.076 2.059 -2.927 1.00 0.00 C ATOM 427 CG TRP A 28 7.055 2.833 -2.098 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.401 2.945 -2.303 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.762 3.602 -0.927 1.00 0.00 C ATOM 430 NE1 TRP A 28 8.962 3.737 -1.329 1.00 0.00 N ATOM 431 CE2 TRP A 28 7.976 4.154 -0.473 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.590 3.880 -0.217 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.049 4.966 0.657 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.663 4.685 0.904 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.885 5.221 1.331 1.00 0.00 C ATOM 0 H TRP A 28 5.341 4.009 -4.227 1.00 0.00 H new ATOM 0 HA TRP A 28 7.396 2.135 -4.628 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.068 2.410 -2.706 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.118 1.009 -2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.945 2.480 -3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.951 3.975 -1.255 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.643 3.472 -0.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.990 5.379 0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.763 4.904 1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.909 5.848 2.210 1.00 0.00 H new ATOM 446 N VAL A 29 4.347 1.096 -5.343 1.00 0.00 N ATOM 447 CA VAL A 29 3.587 0.045 -6.009 1.00 0.00 C ATOM 448 C VAL A 29 3.978 -0.080 -7.481 1.00 0.00 C ATOM 449 O VAL A 29 3.975 -1.177 -8.039 1.00 0.00 O ATOM 450 CB VAL A 29 2.069 0.301 -5.897 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.279 -0.761 -6.650 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.646 0.346 -4.437 1.00 0.00 C ATOM 0 H VAL A 29 3.787 1.895 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 29 3.827 -0.891 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 29 1.853 1.267 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.213 -0.557 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.559 -0.744 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.499 -1.743 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.573 0.527 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.882 -0.606 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.180 1.149 -3.928 1.00 0.00 H new ATOM 462 N SER A 30 4.312 1.044 -8.105 1.00 0.00 N ATOM 463 CA SER A 30 4.703 1.046 -9.511 1.00 0.00 C ATOM 464 C SER A 30 6.214 0.896 -9.658 1.00 0.00 C ATOM 465 O SER A 30 6.699 0.334 -10.640 1.00 0.00 O ATOM 466 CB SER A 30 4.237 2.331 -10.198 1.00 0.00 C ATOM 467 OG SER A 30 3.013 2.128 -10.881 1.00 0.00 O ATOM 0 H SER A 30 4.320 1.963 -7.662 1.00 0.00 H new ATOM 0 HA SER A 30 4.222 0.194 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.117 3.121 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.998 2.668 -10.902 1.00 0.00 H new ATOM 0 HG SER A 30 2.274 2.471 -10.336 1.00 0.00 H new ATOM 473 N GLU A 31 6.953 1.402 -8.676 1.00 0.00 N ATOM 474 CA GLU A 31 8.411 1.321 -8.699 1.00 0.00 C ATOM 475 C GLU A 31 8.878 -0.127 -8.828 1.00 0.00 C ATOM 476 O GLU A 31 9.995 -0.390 -9.275 1.00 0.00 O ATOM 477 CB GLU A 31 8.995 1.944 -7.430 1.00 0.00 C ATOM 478 CG GLU A 31 9.236 3.441 -7.542 1.00 0.00 C ATOM 479 CD GLU A 31 10.612 3.771 -8.085 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.557 3.000 -7.816 1.00 0.00 O ATOM 481 OE2 GLU A 31 10.746 4.802 -8.778 1.00 0.00 O ATOM 0 H GLU A 31 6.569 1.871 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 31 8.766 1.875 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.317 1.755 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.937 1.450 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.478 3.880 -8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.118 3.899 -6.560 1.00 0.00 H new ATOM 488 N GLY A 32 8.020 -1.063 -8.430 1.00 0.00 N ATOM 489 CA GLY A 32 8.368 -2.469 -8.507 1.00 0.00 C ATOM 490 C GLY A 32 8.718 -3.058 -7.153 1.00 0.00 C ATOM 491 O GLY A 32 9.147 -4.208 -7.061 1.00 0.00 O ATOM 0 H GLY A 32 7.091 -0.871 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.533 -3.023 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.214 -2.594 -9.183 1.00 0.00 H new ATOM 495 N TYR A 33 8.540 -2.266 -6.100 1.00 0.00 N ATOM 496 CA TYR A 33 8.842 -2.711 -4.744 1.00 0.00 C ATOM 497 C TYR A 33 7.976 -3.902 -4.348 1.00 0.00 C ATOM 498 O TYR A 33 8.383 -4.730 -3.532 1.00 0.00 O ATOM 499 CB TYR A 33 8.634 -1.563 -3.755 1.00 0.00 C ATOM 500 CG TYR A 33 9.845 -0.668 -3.579 1.00 0.00 C ATOM 501 CD1 TYR A 33 10.918 -0.720 -4.465 1.00 0.00 C ATOM 502 CD2 TYR A 33 9.913 0.230 -2.523 1.00 0.00 C ATOM 503 CE1 TYR A 33 12.019 0.099 -4.299 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.010 1.052 -2.352 1.00 0.00 C ATOM 505 CZ TYR A 33 12.060 0.982 -3.242 1.00 0.00 C ATOM 506 OH TYR A 33 13.156 1.799 -3.074 1.00 0.00 O ATOM 0 H TYR A 33 8.187 -1.311 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 33 9.885 -3.025 -4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.793 -0.956 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.359 -1.979 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.889 -1.411 -5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.093 0.287 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.843 0.047 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.045 1.746 -1.525 1.00 0.00 H new ATOM 0 HH TYR A 33 13.026 2.362 -2.283 1.00 0.00 H new ATOM 516 N PHE A 34 6.780 -3.985 -4.925 1.00 0.00 N ATOM 517 CA PHE A 34 5.862 -5.082 -4.626 1.00 0.00 C ATOM 518 C PHE A 34 5.648 -5.961 -5.855 1.00 0.00 C ATOM 519 O PHE A 34 4.647 -5.822 -6.559 1.00 0.00 O ATOM 520 CB PHE A 34 4.513 -4.542 -4.135 1.00 0.00 C ATOM 521 CG PHE A 34 4.616 -3.327 -3.251 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.710 -3.144 -2.420 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.615 -2.371 -3.253 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.802 -2.029 -1.607 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.701 -1.255 -2.443 1.00 0.00 C ATOM 526 CZ PHE A 34 4.795 -1.083 -1.619 1.00 0.00 C ATOM 0 H PHE A 34 6.424 -3.308 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 34 6.310 -5.685 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.897 -4.296 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.996 -5.331 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.500 -3.881 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.756 -2.499 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.660 -1.898 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.912 -0.517 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.864 -0.211 -0.985 1.00 0.00 H new ATOM 536 N PRO A 35 6.589 -6.881 -6.134 1.00 0.00 N ATOM 537 CA PRO A 35 6.493 -7.781 -7.287 1.00 0.00 C ATOM 538 C PRO A 35 5.168 -8.531 -7.330 1.00 0.00 C ATOM 539 O PRO A 35 4.692 -8.908 -8.401 1.00 0.00 O ATOM 540 CB PRO A 35 7.651 -8.760 -7.076 1.00 0.00 C ATOM 541 CG PRO A 35 8.630 -8.017 -6.235 1.00 0.00 C ATOM 542 CD PRO A 35 7.816 -7.115 -5.349 1.00 0.00 C ATOM 0 HA PRO A 35 6.544 -7.236 -8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.314 -9.670 -6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.093 -9.060 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.235 -8.703 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.317 -7.440 -6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.596 -7.585 -4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.340 -6.183 -5.135 1.00 0.00 H new ATOM 550 N ASP A 36 4.574 -8.750 -6.161 1.00 0.00 N ATOM 551 CA ASP A 36 3.308 -9.457 -6.068 1.00 0.00 C ATOM 552 C ASP A 36 2.216 -8.555 -5.497 1.00 0.00 C ATOM 553 O ASP A 36 1.160 -9.032 -5.078 1.00 0.00 O ATOM 554 CB ASP A 36 3.477 -10.700 -5.194 1.00 0.00 C ATOM 555 CG ASP A 36 2.201 -11.510 -5.073 1.00 0.00 C ATOM 556 OD1 ASP A 36 1.792 -12.129 -6.078 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.610 -11.526 -3.972 1.00 0.00 O ATOM 0 H ASP A 36 4.953 -8.446 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 36 3.005 -9.758 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.263 -11.329 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.806 -10.398 -4.200 1.00 0.00 H new ATOM 562 N GLY A 37 2.474 -7.249 -5.475 1.00 0.00 N ATOM 563 CA GLY A 37 1.502 -6.317 -4.945 1.00 0.00 C ATOM 564 C GLY A 37 1.380 -6.418 -3.441 1.00 0.00 C ATOM 565 O GLY A 37 2.240 -7.003 -2.782 1.00 0.00 O ATOM 0 H GLY A 37 3.337 -6.824 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.788 -5.301 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.531 -6.508 -5.401 1.00 0.00 H new ATOM 569 N VAL A 38 0.313 -5.853 -2.895 1.00 0.00 N ATOM 570 CA VAL A 38 0.087 -5.886 -1.458 1.00 0.00 C ATOM 571 C VAL A 38 -1.366 -5.580 -1.125 1.00 0.00 C ATOM 572 O VAL A 38 -2.094 -5.011 -1.937 1.00 0.00 O ATOM 573 CB VAL A 38 0.989 -4.882 -0.716 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.392 -5.440 -0.552 1.00 0.00 C ATOM 575 CG2 VAL A 38 1.029 -3.548 -1.446 1.00 0.00 C ATOM 0 H VAL A 38 -0.410 -5.366 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 38 0.333 -6.895 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 38 0.566 -4.717 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.013 -4.715 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.350 -6.366 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.821 -5.640 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.672 -2.855 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.422 -3.695 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.022 -3.136 -1.507 1.00 0.00 H new ATOM 585 N TYR A 39 -1.779 -5.948 0.081 1.00 0.00 N ATOM 586 CA TYR A 39 -3.141 -5.700 0.526 1.00 0.00 C ATOM 587 C TYR A 39 -3.339 -4.211 0.773 1.00 0.00 C ATOM 588 O TYR A 39 -3.172 -3.732 1.894 1.00 0.00 O ATOM 589 CB TYR A 39 -3.435 -6.497 1.798 1.00 0.00 C ATOM 590 CG TYR A 39 -4.547 -7.507 1.635 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.605 -8.330 0.516 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.540 -7.639 2.598 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.620 -9.254 0.363 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.558 -8.563 2.451 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.593 -9.368 1.333 1.00 0.00 C ATOM 596 OH TYR A 39 -7.605 -10.287 1.182 1.00 0.00 O ATOM 0 H TYR A 39 -1.189 -6.419 0.767 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.834 -6.023 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.528 -7.015 2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.698 -5.805 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.844 -8.245 -0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.516 -7.010 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.651 -9.885 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.322 -8.653 3.209 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.207 -10.241 1.954 1.00 0.00 H new ATOM 606 N CYS A 40 -3.673 -3.482 -0.287 1.00 0.00 N ATOM 607 CA CYS A 40 -3.870 -2.042 -0.190 1.00 0.00 C ATOM 608 C CYS A 40 -5.334 -1.685 0.047 1.00 0.00 C ATOM 609 O CYS A 40 -6.239 -2.415 -0.356 1.00 0.00 O ATOM 610 CB CYS A 40 -3.368 -1.350 -1.458 1.00 0.00 C ATOM 611 SG CYS A 40 -1.684 -0.706 -1.328 1.00 0.00 S ATOM 0 H CYS A 40 -3.813 -3.865 -1.222 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.295 -1.692 0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.413 -2.056 -2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.042 -0.529 -1.702 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.573 0.004 -0.244 1.00 0.00 H new ATOM 617 N ARG A 41 -5.547 -0.547 0.698 1.00 0.00 N ATOM 618 CA ARG A 41 -6.889 -0.062 0.994 1.00 0.00 C ATOM 619 C ARG A 41 -6.821 1.278 1.720 1.00 0.00 C ATOM 620 O ARG A 41 -5.860 1.556 2.438 1.00 0.00 O ATOM 621 CB ARG A 41 -7.666 -1.087 1.831 1.00 0.00 C ATOM 622 CG ARG A 41 -7.283 -1.106 3.305 1.00 0.00 C ATOM 623 CD ARG A 41 -8.220 -1.991 4.115 1.00 0.00 C ATOM 624 NE ARG A 41 -9.611 -1.864 3.686 1.00 0.00 N ATOM 625 CZ ARG A 41 -10.362 -0.790 3.918 1.00 0.00 C ATOM 626 NH1 ARG A 41 -9.859 0.250 4.570 1.00 0.00 N ATOM 627 NH2 ARG A 41 -11.618 -0.756 3.494 1.00 0.00 N ATOM 0 H ARG A 41 -4.800 0.061 1.033 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.418 0.079 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.732 -0.876 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.504 -2.080 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.259 -1.465 3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.307 -0.091 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.906 -3.031 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.142 -1.729 5.170 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.031 -2.644 3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.893 0.229 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.439 1.071 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.008 -1.553 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.194 0.067 3.672 1.00 0.00 H new ATOM 641 N LYS A 42 -7.839 2.107 1.528 1.00 0.00 N ATOM 642 CA LYS A 42 -7.890 3.414 2.160 1.00 0.00 C ATOM 643 C LYS A 42 -7.840 3.290 3.679 1.00 0.00 C ATOM 644 O LYS A 42 -8.509 2.440 4.267 1.00 0.00 O ATOM 645 CB LYS A 42 -9.160 4.141 1.727 1.00 0.00 C ATOM 646 CG LYS A 42 -9.068 4.740 0.334 1.00 0.00 C ATOM 647 CD LYS A 42 -10.382 5.381 -0.087 1.00 0.00 C ATOM 648 CE LYS A 42 -11.151 4.494 -1.053 1.00 0.00 C ATOM 649 NZ LYS A 42 -12.588 4.380 -0.677 1.00 0.00 N ATOM 0 H LYS A 42 -8.642 1.894 0.937 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.019 3.989 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.998 3.444 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.377 4.935 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.274 5.486 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.796 3.962 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.992 5.575 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.184 6.345 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.070 4.900 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.701 3.502 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.078 3.767 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.666 3.969 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.025 5.324 -0.684 1.00 0.00 H new ATOM 663 N LEU A 43 -7.037 4.142 4.306 1.00 0.00 N ATOM 664 CA LEU A 43 -6.887 4.132 5.756 1.00 0.00 C ATOM 665 C LEU A 43 -8.233 4.326 6.448 1.00 0.00 C ATOM 666 O LEU A 43 -8.576 3.593 7.374 1.00 0.00 O ATOM 667 CB LEU A 43 -5.912 5.225 6.197 1.00 0.00 C ATOM 668 CG LEU A 43 -4.624 5.318 5.375 1.00 0.00 C ATOM 669 CD1 LEU A 43 -3.779 6.486 5.849 1.00 0.00 C ATOM 670 CD2 LEU A 43 -3.836 4.021 5.465 1.00 0.00 C ATOM 0 H LEU A 43 -6.478 4.851 3.831 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.489 3.160 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.424 6.186 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.647 5.054 7.240 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.892 5.484 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.866 6.539 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.342 7.412 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.521 6.346 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.924 4.107 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.577 3.824 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.441 3.200 5.080 1.00 0.00 H new ATOM 682 N ASP A 44 -8.990 5.319 5.992 1.00 0.00 N ATOM 683 CA ASP A 44 -10.298 5.609 6.570 1.00 0.00 C ATOM 684 C ASP A 44 -11.406 5.445 5.528 1.00 0.00 C ATOM 685 O ASP A 44 -11.396 6.120 4.498 1.00 0.00 O ATOM 686 CB ASP A 44 -10.320 7.032 7.131 1.00 0.00 C ATOM 687 CG ASP A 44 -11.416 7.230 8.159 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.330 6.619 9.244 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.360 7.999 7.878 1.00 0.00 O ATOM 0 H ASP A 44 -8.721 5.936 5.225 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.477 4.899 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.355 7.256 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.460 7.740 6.314 1.00 0.00 H new ATOM 694 N PRO A 45 -12.382 4.546 5.774 1.00 0.00 N ATOM 695 CA PRO A 45 -12.436 3.719 6.986 1.00 0.00 C ATOM 696 C PRO A 45 -11.427 2.572 6.948 1.00 0.00 C ATOM 697 O PRO A 45 -11.270 1.911 5.923 1.00 0.00 O ATOM 698 CB PRO A 45 -13.862 3.173 6.968 1.00 0.00 C ATOM 699 CG PRO A 45 -14.218 3.112 5.523 1.00 0.00 C ATOM 700 CD PRO A 45 -13.515 4.272 4.871 1.00 0.00 C ATOM 0 HA PRO A 45 -12.190 4.286 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.916 2.188 7.432 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.543 3.823 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.901 2.167 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.297 3.182 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.175 4.021 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -14.171 5.137 4.778 1.00 0.00 H new ATOM 708 N PRO A 46 -10.726 2.317 8.069 1.00 0.00 N ATOM 709 CA PRO A 46 -9.732 1.243 8.149 1.00 0.00 C ATOM 710 C PRO A 46 -10.372 -0.133 8.301 1.00 0.00 C ATOM 711 O PRO A 46 -11.365 -0.292 9.010 1.00 0.00 O ATOM 712 CB PRO A 46 -8.936 1.603 9.401 1.00 0.00 C ATOM 713 CG PRO A 46 -9.912 2.317 10.271 1.00 0.00 C ATOM 714 CD PRO A 46 -10.843 3.054 9.343 1.00 0.00 C ATOM 0 HA PRO A 46 -9.129 1.174 7.244 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.544 0.712 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.082 2.236 9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.462 1.614 10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.402 3.009 10.941 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.867 3.048 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.551 4.098 9.230 1.00 0.00 H new ATOM 722 N GLY A 47 -9.795 -1.127 7.631 1.00 0.00 N ATOM 723 CA GLY A 47 -10.321 -2.476 7.707 1.00 0.00 C ATOM 724 C GLY A 47 -11.645 -2.625 6.982 1.00 0.00 C ATOM 725 O GLY A 47 -12.707 -2.408 7.565 1.00 0.00 O ATOM 0 H GLY A 47 -8.973 -1.021 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.597 -3.170 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.450 -2.754 8.753 1.00 0.00 H new ATOM 729 N GLY A 48 -11.580 -2.996 5.708 1.00 0.00 N ATOM 730 CA GLY A 48 -12.789 -3.167 4.925 1.00 0.00 C ATOM 731 C GLY A 48 -12.560 -3.991 3.673 1.00 0.00 C ATOM 732 O GLY A 48 -11.848 -4.994 3.704 1.00 0.00 O ATOM 0 H GLY A 48 -10.713 -3.181 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.550 -3.649 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.178 -2.188 4.645 1.00 0.00 H new ATOM 736 N GLN A 49 -13.170 -3.567 2.571 1.00 0.00 N ATOM 737 CA GLN A 49 -13.032 -4.273 1.304 1.00 0.00 C ATOM 738 C GLN A 49 -11.614 -4.140 0.759 1.00 0.00 C ATOM 739 O GLN A 49 -11.373 -3.422 -0.212 1.00 0.00 O ATOM 740 CB GLN A 49 -14.035 -3.737 0.282 1.00 0.00 C ATOM 741 CG GLN A 49 -15.427 -3.511 0.851 1.00 0.00 C ATOM 742 CD GLN A 49 -15.966 -4.727 1.579 1.00 0.00 C ATOM 743 OE1 GLN A 49 -15.961 -4.783 2.808 1.00 0.00 O ATOM 744 NE2 GLN A 49 -16.435 -5.711 0.820 1.00 0.00 N ATOM 0 H GLN A 49 -13.764 -2.739 2.530 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.237 -5.329 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.661 -2.797 -0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.102 -4.438 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.402 -2.664 1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.107 -3.246 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.420 -5.623 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.810 -6.555 1.253 1.00 0.00 H new ATOM 753 N PHE A 50 -10.679 -4.838 1.394 1.00 0.00 N ATOM 754 CA PHE A 50 -9.278 -4.806 0.979 1.00 0.00 C ATOM 755 C PHE A 50 -9.147 -4.998 -0.530 1.00 0.00 C ATOM 756 O PHE A 50 -10.059 -5.504 -1.183 1.00 0.00 O ATOM 757 CB PHE A 50 -8.486 -5.891 1.714 1.00 0.00 C ATOM 758 CG PHE A 50 -7.539 -5.349 2.746 1.00 0.00 C ATOM 759 CD1 PHE A 50 -6.584 -4.406 2.404 1.00 0.00 C ATOM 760 CD2 PHE A 50 -7.603 -5.786 4.060 1.00 0.00 C ATOM 761 CE1 PHE A 50 -5.710 -3.907 3.352 1.00 0.00 C ATOM 762 CE2 PHE A 50 -6.733 -5.291 5.013 1.00 0.00 C ATOM 763 CZ PHE A 50 -5.785 -4.350 4.659 1.00 0.00 C ATOM 0 H PHE A 50 -10.865 -5.435 2.200 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.872 -3.828 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.184 -6.574 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.922 -6.474 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.521 -4.056 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.341 -6.522 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.970 -3.172 3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.794 -5.639 6.033 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.104 -3.962 5.402 1.00 0.00 H new ATOM 773 N TYR A 51 -8.007 -4.589 -1.077 1.00 0.00 N ATOM 774 CA TYR A 51 -7.760 -4.717 -2.509 1.00 0.00 C ATOM 775 C TYR A 51 -6.267 -4.659 -2.812 1.00 0.00 C ATOM 776 O TYR A 51 -5.552 -3.800 -2.297 1.00 0.00 O ATOM 777 CB TYR A 51 -8.490 -3.611 -3.275 1.00 0.00 C ATOM 778 CG TYR A 51 -9.937 -3.932 -3.569 1.00 0.00 C ATOM 779 CD1 TYR A 51 -10.281 -5.038 -4.336 1.00 0.00 C ATOM 780 CD2 TYR A 51 -10.961 -3.129 -3.079 1.00 0.00 C ATOM 781 CE1 TYR A 51 -11.604 -5.336 -4.606 1.00 0.00 C ATOM 782 CE2 TYR A 51 -12.285 -3.421 -3.345 1.00 0.00 C ATOM 783 CZ TYR A 51 -12.601 -4.525 -4.108 1.00 0.00 C ATOM 784 OH TYR A 51 -13.919 -4.818 -4.375 1.00 0.00 O ATOM 0 H TYR A 51 -7.241 -4.167 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.140 -5.686 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.441 -2.688 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.969 -3.427 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.502 -5.676 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.718 -2.263 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.855 -6.200 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.069 -2.787 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.495 -4.149 -3.950 1.00 0.00 H new ATOM 794 N ASN A 52 -5.804 -5.578 -3.651 1.00 0.00 N ATOM 795 CA ASN A 52 -4.395 -5.632 -4.024 1.00 0.00 C ATOM 796 C ASN A 52 -3.949 -4.317 -4.655 1.00 0.00 C ATOM 797 O ASN A 52 -4.633 -3.769 -5.519 1.00 0.00 O ATOM 798 CB ASN A 52 -4.148 -6.787 -4.996 1.00 0.00 C ATOM 799 CG ASN A 52 -2.691 -7.204 -5.038 1.00 0.00 C ATOM 800 OD1 ASN A 52 -1.866 -6.696 -4.280 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.369 -8.136 -5.927 1.00 0.00 N ATOM 0 H ASN A 52 -6.383 -6.296 -4.086 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.811 -5.796 -3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.759 -7.641 -4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.468 -6.492 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.404 -8.458 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.086 -8.530 -6.536 1.00 0.00 H new ATOM 808 N SER A 53 -2.798 -3.815 -4.217 1.00 0.00 N ATOM 809 CA SER A 53 -2.260 -2.564 -4.740 1.00 0.00 C ATOM 810 C SER A 53 -2.150 -2.608 -6.260 1.00 0.00 C ATOM 811 O SER A 53 -2.239 -1.579 -6.930 1.00 0.00 O ATOM 812 CB SER A 53 -0.889 -2.278 -4.126 1.00 0.00 C ATOM 813 OG SER A 53 0.128 -3.011 -4.787 1.00 0.00 O ATOM 0 H SER A 53 -2.220 -4.256 -3.501 1.00 0.00 H new ATOM 0 HA SER A 53 -2.947 -1.763 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.673 -1.211 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.900 -2.538 -3.067 1.00 0.00 H new ATOM 0 HG SER A 53 -0.134 -3.953 -4.847 1.00 0.00 H new ATOM 819 N LYS A 54 -1.957 -3.808 -6.799 1.00 0.00 N ATOM 820 CA LYS A 54 -1.838 -3.986 -8.241 1.00 0.00 C ATOM 821 C LYS A 54 -3.214 -4.056 -8.907 1.00 0.00 C ATOM 822 O LYS A 54 -3.314 -4.216 -10.123 1.00 0.00 O ATOM 823 CB LYS A 54 -1.039 -5.254 -8.552 1.00 0.00 C ATOM 824 CG LYS A 54 0.306 -4.980 -9.207 1.00 0.00 C ATOM 825 CD LYS A 54 1.387 -5.915 -8.684 1.00 0.00 C ATOM 826 CE LYS A 54 2.230 -6.484 -9.814 1.00 0.00 C ATOM 827 NZ LYS A 54 3.688 -6.331 -9.551 1.00 0.00 N ATOM 0 H LYS A 54 -1.880 -4.670 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.311 -3.122 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.877 -5.808 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.629 -5.894 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.215 -5.096 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.598 -3.946 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.028 -5.376 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.925 -6.731 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.994 -7.540 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.975 -5.981 -10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.172 -6.052 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.835 -5.599 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.077 -7.235 -9.214 1.00 0.00 H new ATOM 841 N ARG A 55 -4.272 -3.932 -8.106 1.00 0.00 N ATOM 842 CA ARG A 55 -5.634 -3.980 -8.629 1.00 0.00 C ATOM 843 C ARG A 55 -6.394 -2.690 -8.320 1.00 0.00 C ATOM 844 O ARG A 55 -7.572 -2.561 -8.654 1.00 0.00 O ATOM 845 CB ARG A 55 -6.383 -5.181 -8.047 1.00 0.00 C ATOM 846 CG ARG A 55 -7.148 -5.982 -9.088 1.00 0.00 C ATOM 847 CD ARG A 55 -8.578 -5.484 -9.236 1.00 0.00 C ATOM 848 NE ARG A 55 -8.868 -5.056 -10.603 1.00 0.00 N ATOM 849 CZ ARG A 55 -9.922 -4.315 -10.940 1.00 0.00 C ATOM 850 NH1 ARG A 55 -10.787 -3.920 -10.014 1.00 0.00 N ATOM 851 NH2 ARG A 55 -10.110 -3.969 -12.206 1.00 0.00 N ATOM 0 H ARG A 55 -4.211 -3.798 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.572 -4.086 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.670 -5.837 -7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.080 -4.830 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.637 -5.914 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.156 -7.035 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.270 -6.276 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.745 -4.652 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.226 -5.341 -11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.646 -4.184 -9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.593 -3.353 -10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.448 -4.270 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.917 -3.402 -12.465 1.00 0.00 H new ATOM 865 N ILE A 56 -5.716 -1.738 -7.687 1.00 0.00 N ATOM 866 CA ILE A 56 -6.330 -0.462 -7.342 1.00 0.00 C ATOM 867 C ILE A 56 -5.946 0.616 -8.352 1.00 0.00 C ATOM 868 O ILE A 56 -4.890 0.542 -8.982 1.00 0.00 O ATOM 869 CB ILE A 56 -5.924 -0.006 -5.925 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.397 -1.028 -4.888 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.494 1.374 -5.617 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.168 -0.593 -3.457 1.00 0.00 C ATOM 0 H ILE A 56 -4.740 -1.827 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.410 -0.608 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.837 0.061 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.460 -1.216 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.879 -1.972 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.195 1.675 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.113 2.095 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.582 1.340 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.528 -1.367 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.103 -0.433 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.708 0.335 -3.268 1.00 0.00 H new ATOM 884 N ASP A 57 -6.809 1.614 -8.501 1.00 0.00 N ATOM 885 CA ASP A 57 -6.559 2.705 -9.436 1.00 0.00 C ATOM 886 C ASP A 57 -6.206 3.990 -8.693 1.00 0.00 C ATOM 887 O ASP A 57 -7.046 4.873 -8.526 1.00 0.00 O ATOM 888 CB ASP A 57 -7.785 2.937 -10.321 1.00 0.00 C ATOM 889 CG ASP A 57 -7.437 3.642 -11.618 1.00 0.00 C ATOM 890 OD1 ASP A 57 -6.376 4.298 -11.670 1.00 0.00 O ATOM 891 OD2 ASP A 57 -8.226 3.537 -12.581 1.00 0.00 O ATOM 0 H ASP A 57 -7.687 1.691 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.713 2.424 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.254 1.979 -10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.518 3.530 -9.774 1.00 0.00 H new ATOM 896 N PHE A 58 -4.956 4.086 -8.251 1.00 0.00 N ATOM 897 CA PHE A 58 -4.489 5.264 -7.528 1.00 0.00 C ATOM 898 C PHE A 58 -4.662 6.527 -8.366 1.00 0.00 C ATOM 899 O PHE A 58 -4.754 7.631 -7.831 1.00 0.00 O ATOM 900 CB PHE A 58 -3.020 5.101 -7.135 1.00 0.00 C ATOM 901 CG PHE A 58 -2.759 3.931 -6.230 1.00 0.00 C ATOM 902 CD1 PHE A 58 -2.568 2.662 -6.753 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.696 4.100 -4.856 1.00 0.00 C ATOM 904 CE1 PHE A 58 -2.319 1.584 -5.923 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.449 3.027 -4.021 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.260 1.767 -4.555 1.00 0.00 C ATOM 0 H PHE A 58 -4.249 3.363 -8.381 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.093 5.363 -6.626 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.422 4.989 -8.040 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.683 6.012 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.614 2.513 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.842 5.083 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.171 0.600 -6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.404 3.173 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.067 0.927 -3.904 1.00 0.00 H new ATOM 916 N ASP A 59 -4.700 6.355 -9.683 1.00 0.00 N ATOM 917 CA ASP A 59 -4.857 7.480 -10.599 1.00 0.00 C ATOM 918 C ASP A 59 -6.140 8.252 -10.309 1.00 0.00 C ATOM 919 O ASP A 59 -6.234 9.447 -10.593 1.00 0.00 O ATOM 920 CB ASP A 59 -4.862 6.988 -12.048 1.00 0.00 C ATOM 921 CG ASP A 59 -4.313 8.021 -13.012 1.00 0.00 C ATOM 922 OD1 ASP A 59 -5.005 9.032 -13.256 1.00 0.00 O ATOM 923 OD2 ASP A 59 -3.191 7.821 -13.521 1.00 0.00 O ATOM 0 H ASP A 59 -4.624 5.447 -10.141 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.012 8.152 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.269 6.076 -12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.881 6.730 -12.338 1.00 0.00 H new ATOM 928 N LEU A 60 -7.129 7.566 -9.746 1.00 0.00 N ATOM 929 CA LEU A 60 -8.403 8.190 -9.421 1.00 0.00 C ATOM 930 C LEU A 60 -8.444 8.622 -7.960 1.00 0.00 C ATOM 931 O LEU A 60 -9.510 8.672 -7.347 1.00 0.00 O ATOM 932 CB LEU A 60 -9.557 7.230 -9.717 1.00 0.00 C ATOM 933 CG LEU A 60 -9.407 6.411 -10.998 1.00 0.00 C ATOM 934 CD1 LEU A 60 -10.565 5.436 -11.146 1.00 0.00 C ATOM 935 CD2 LEU A 60 -9.323 7.328 -12.210 1.00 0.00 C ATOM 0 H LEU A 60 -7.071 6.576 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.511 9.078 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.663 6.544 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.481 7.805 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.482 5.839 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.442 4.861 -12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.581 4.758 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.503 5.989 -11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.216 6.728 -13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.231 7.927 -12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.461 7.987 -12.108 1.00 0.00 H new ATOM 947 N TYR A 61 -7.277 8.934 -7.408 1.00 0.00 N ATOM 948 CA TYR A 61 -7.177 9.362 -6.020 1.00 0.00 C ATOM 949 C TYR A 61 -6.076 10.405 -5.851 1.00 0.00 C ATOM 950 O TYR A 61 -6.306 11.479 -5.296 1.00 0.00 O ATOM 951 CB TYR A 61 -6.897 8.160 -5.120 1.00 0.00 C ATOM 952 CG TYR A 61 -8.050 7.183 -5.037 1.00 0.00 C ATOM 953 CD1 TYR A 61 -9.103 7.396 -4.157 1.00 0.00 C ATOM 954 CD2 TYR A 61 -8.084 6.051 -5.842 1.00 0.00 C ATOM 955 CE1 TYR A 61 -10.158 6.506 -4.080 1.00 0.00 C ATOM 956 CE2 TYR A 61 -9.136 5.159 -5.771 1.00 0.00 C ATOM 957 CZ TYR A 61 -10.170 5.390 -4.889 1.00 0.00 C ATOM 958 OH TYR A 61 -11.219 4.502 -4.816 1.00 0.00 O ATOM 0 H TYR A 61 -6.386 8.898 -7.903 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.127 9.813 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.015 7.637 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.660 8.515 -4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.098 8.270 -3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.276 5.866 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.969 6.684 -3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.149 4.284 -6.404 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.074 3.771 -5.453 1.00 0.00 H new ATOM 968 N THR A 62 -4.882 10.079 -6.334 1.00 0.00 N ATOM 969 CA THR A 62 -3.744 10.987 -6.237 1.00 0.00 C ATOM 970 C THR A 62 -3.870 12.127 -7.243 1.00 0.00 C ATOM 971 O THR A 62 -3.604 11.891 -8.440 1.00 0.00 O ATOM 972 CB THR A 62 -2.438 10.227 -6.472 1.00 0.00 C ATOM 973 OG1 THR A 62 -1.334 11.115 -6.476 1.00 0.00 O ATOM 974 CG2 THR A 62 -2.417 9.461 -7.777 1.00 0.00 C ATOM 975 OXT THR A 62 -4.235 13.246 -6.825 1.00 0.00 O ATOM 0 H THR A 62 -4.677 9.193 -6.796 1.00 0.00 H new ATOM 0 HA THR A 62 -3.734 11.412 -5.233 1.00 0.00 H new ATOM 0 HB THR A 62 -2.368 9.514 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.508 10.609 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.462 8.945 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.227 8.731 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.547 10.154 -8.608 1.00 0.00 H new TER 983 THR A 62 ATOM 984 N SER B 63 17.346 11.441 -7.550 1.00 1.74 N ATOM 985 CA SER B 63 15.916 11.065 -7.407 1.00 0.57 C ATOM 986 C SER B 63 15.768 9.612 -6.968 1.00 0.32 C ATOM 987 O SER B 63 15.518 8.728 -7.787 1.00 0.57 O ATOM 988 CB SER B 63 15.218 11.283 -8.752 1.00 3.21 C ATOM 989 OG SER B 63 13.879 11.707 -8.569 1.00 3.64 O ATOM 0 HA SER B 63 15.458 11.688 -6.639 1.00 0.57 H new ATOM 0 HB2 SER B 63 15.763 12.028 -9.331 1.00 3.21 H new ATOM 0 HB3 SER B 63 15.234 10.358 -9.328 1.00 3.21 H new ATOM 0 HG SER B 63 13.456 11.841 -9.443 1.00 3.64 H new ATOM 997 N HIS B 64 15.925 9.373 -5.670 1.00 0.01 N ATOM 998 CA HIS B 64 15.811 8.027 -5.121 1.00 0.01 C ATOM 999 C HIS B 64 15.024 8.037 -3.814 1.00 0.01 C ATOM 1000 O HIS B 64 15.485 8.571 -2.805 1.00 0.01 O ATOM 1001 CB HIS B 64 17.199 7.429 -4.887 1.00 2.00 C ATOM 1002 CG HIS B 64 17.804 6.825 -6.117 1.00 2.30 C ATOM 1003 ND1 HIS B 64 17.668 5.494 -6.448 1.00 2.04 N ATOM 1004 CD2 HIS B 64 18.551 7.381 -7.101 1.00 3.49 C ATOM 1005 CE1 HIS B 64 18.306 5.257 -7.582 1.00 3.15 C ATOM 1006 NE2 HIS B 64 18.849 6.385 -7.997 1.00 3.94 N ATOM 0 H HIS B 64 16.132 10.094 -4.979 1.00 0.01 H new ATOM 0 HA HIS B 64 15.275 7.412 -5.844 1.00 0.01 H new ATOM 0 HB2 HIS B 64 17.862 8.207 -4.510 1.00 2.00 H new ATOM 0 HB3 HIS B 64 17.131 6.665 -4.112 1.00 2.00 H new ATOM 0 HD2 HIS B 64 18.855 8.415 -7.168 1.00 3.49 H new ATOM 0 HE1 HIS B 64 18.371 4.302 -8.083 1.00 3.15 H new ATOM 0 HE2 HIS B 64 19.401 6.499 -8.847 1.00 3.94 H new ATOM 1015 N ARG B 65 13.834 7.444 -3.839 1.00 0.01 N ATOM 1016 CA ARG B 65 12.984 7.387 -2.656 1.00 0.01 C ATOM 1017 C ARG B 65 13.421 6.255 -1.726 1.00 0.01 C ATOM 1018 O ARG B 65 14.046 5.287 -2.159 1.00 0.01 O ATOM 1019 CB ARG B 65 11.515 7.212 -3.060 1.00 2.83 C ATOM 1020 CG ARG B 65 11.111 5.768 -3.322 1.00 4.16 C ATOM 1021 CD ARG B 65 10.248 5.642 -4.568 1.00 5.14 C ATOM 1022 NE ARG B 65 10.830 6.338 -5.712 1.00 5.48 N ATOM 1023 CZ ARG B 65 11.910 5.915 -6.367 1.00 6.18 C ATOM 1024 NH1 ARG B 65 12.526 4.801 -5.995 1.00 6.89 N ATOM 1025 NH2 ARG B 65 12.374 6.609 -7.396 1.00 6.46 N ATOM 0 H ARG B 65 13.437 6.997 -4.665 1.00 0.01 H new ATOM 0 HA ARG B 65 13.087 8.329 -2.117 1.00 0.01 H new ATOM 0 HB2 ARG B 65 10.881 7.618 -2.271 1.00 2.83 H new ATOM 0 HB3 ARG B 65 11.323 7.800 -3.957 1.00 2.83 H new ATOM 0 HG2 ARG B 65 12.005 5.155 -3.435 1.00 4.16 H new ATOM 0 HG3 ARG B 65 10.566 5.381 -2.461 1.00 4.16 H new ATOM 0 HD2 ARG B 65 10.118 4.588 -4.813 1.00 5.14 H new ATOM 0 HD3 ARG B 65 9.257 6.046 -4.364 1.00 5.14 H new ATOM 0 HE ARG B 65 10.383 7.199 -6.028 1.00 5.48 H new ATOM 0 HH11 ARG B 65 12.173 4.263 -5.203 1.00 6.89 H new ATOM 0 HH12 ARG B 65 13.353 4.482 -6.500 1.00 6.89 H new ATOM 0 HH21 ARG B 65 11.904 7.467 -7.686 1.00 6.46 H new ATOM 0 HH22 ARG B 65 13.201 6.286 -7.898 1.00 6.46 H new ATOM 1039 N PRO B 66 13.093 6.368 -0.430 1.00 0.01 N ATOM 1040 CA PRO B 66 13.450 5.360 0.571 1.00 0.01 C ATOM 1041 C PRO B 66 12.586 4.105 0.475 1.00 0.01 C ATOM 1042 O PRO B 66 11.643 4.046 -0.313 1.00 0.00 O ATOM 1043 CB PRO B 66 13.198 6.077 1.894 1.00 0.01 C ATOM 1044 CG PRO B 66 12.126 7.066 1.586 1.00 0.00 C ATOM 1045 CD PRO B 66 12.351 7.497 0.160 1.00 0.01 C ATOM 0 HA PRO B 66 14.473 5.007 0.444 1.00 0.01 H new ATOM 0 HB2 PRO B 66 12.883 5.379 2.670 1.00 0.01 H new ATOM 0 HB3 PRO B 66 14.100 6.570 2.256 1.00 0.01 H new ATOM 0 HG2 PRO B 66 11.139 6.621 1.707 1.00 0.00 H new ATOM 0 HG3 PRO B 66 12.176 7.919 2.263 1.00 0.00 H new ATOM 0 HD2 PRO B 66 11.409 7.673 -0.359 1.00 0.01 H new ATOM 0 HD3 PRO B 66 12.922 8.424 0.107 1.00 0.01 H new ATOM 1053 N PRO B 67 12.906 3.081 1.283 1.00 0.01 N ATOM 1054 CA PRO B 67 12.169 1.824 1.296 1.00 0.01 C ATOM 1055 C PRO B 67 10.981 1.860 2.256 1.00 0.01 C ATOM 1056 O PRO B 67 11.073 2.423 3.347 1.00 0.00 O ATOM 1057 CB PRO B 67 13.222 0.832 1.780 1.00 0.47 C ATOM 1058 CG PRO B 67 14.101 1.623 2.694 1.00 0.66 C ATOM 1059 CD PRO B 67 14.017 3.067 2.253 1.00 0.42 C ATOM 0 HA PRO B 67 11.736 1.580 0.326 1.00 0.01 H new ATOM 0 HB2 PRO B 67 12.764 -0.008 2.301 1.00 0.47 H new ATOM 0 HB3 PRO B 67 13.789 0.419 0.946 1.00 0.47 H new ATOM 0 HG2 PRO B 67 13.775 1.517 3.729 1.00 0.66 H new ATOM 0 HG3 PRO B 67 15.129 1.265 2.645 1.00 0.66 H new ATOM 0 HD2 PRO B 67 13.820 3.730 3.095 1.00 0.42 H new ATOM 0 HD3 PRO B 67 14.949 3.400 1.797 1.00 0.42 H new ATOM 1067 N PRO B 68 9.844 1.259 1.863 1.00 0.01 N ATOM 1068 CA PRO B 68 8.640 1.231 2.697 1.00 0.00 C ATOM 1069 C PRO B 68 8.802 0.338 3.924 1.00 0.01 C ATOM 1070 O PRO B 68 9.702 -0.500 3.978 1.00 0.00 O ATOM 1071 CB PRO B 68 7.570 0.664 1.762 1.00 0.01 C ATOM 1072 CG PRO B 68 8.327 -0.137 0.761 1.00 0.01 C ATOM 1073 CD PRO B 68 9.643 0.565 0.578 1.00 0.00 C ATOM 0 HA PRO B 68 8.399 2.217 3.093 1.00 0.00 H new ATOM 0 HB2 PRO B 68 6.856 0.045 2.306 1.00 0.01 H new ATOM 0 HB3 PRO B 68 7.001 1.461 1.283 1.00 0.01 H new ATOM 0 HG2 PRO B 68 8.475 -1.159 1.110 1.00 0.01 H new ATOM 0 HG3 PRO B 68 7.783 -0.198 -0.182 1.00 0.01 H new ATOM 0 HD2 PRO B 68 10.449 -0.140 0.372 1.00 0.00 H new ATOM 0 HD3 PRO B 68 9.612 1.266 -0.256 1.00 0.00 H new ATOM 1081 N PRO B 69 7.927 0.506 4.929 1.00 0.01 N ATOM 1082 CA PRO B 69 7.974 -0.290 6.158 1.00 0.01 C ATOM 1083 C PRO B 69 7.760 -1.774 5.894 1.00 0.01 C ATOM 1084 O PRO B 69 7.579 -2.194 4.752 1.00 0.01 O ATOM 1085 CB PRO B 69 6.824 0.263 7.007 1.00 0.01 C ATOM 1086 CG PRO B 69 5.941 0.992 6.052 1.00 0.00 C ATOM 1087 CD PRO B 69 6.824 1.480 4.939 1.00 0.01 C ATOM 0 HA PRO B 69 8.948 -0.215 6.642 1.00 0.01 H new ATOM 0 HB2 PRO B 69 6.283 -0.541 7.507 1.00 0.01 H new ATOM 0 HB3 PRO B 69 7.196 0.929 7.785 1.00 0.01 H new ATOM 0 HG2 PRO B 69 5.160 0.336 5.668 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.442 1.826 6.545 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.296 1.499 3.986 1.00 0.01 H new ATOM 0 HD3 PRO B 69 7.183 2.492 5.125 1.00 0.01 H new ATOM 1095 N GLY B 70 7.780 -2.561 6.962 1.00 0.44 N ATOM 1096 CA GLY B 70 7.583 -3.990 6.835 1.00 0.65 C ATOM 1097 C GLY B 70 8.824 -4.707 6.349 1.00 0.50 C ATOM 1098 O GLY B 70 9.865 -4.670 7.006 1.00 0.56 O ATOM 0 H GLY B 70 7.930 -2.233 7.916 1.00 0.44 H new ATOM 0 HA2 GLY B 70 7.286 -4.399 7.801 1.00 0.65 H new ATOM 0 HA3 GLY B 70 6.763 -4.180 6.142 1.00 0.65 H new ATOM 1102 N HIS B 71 8.718 -5.359 5.196 1.00 0.43 N ATOM 1103 CA HIS B 71 9.846 -6.084 4.626 1.00 0.26 C ATOM 1104 C HIS B 71 10.213 -7.272 5.512 1.00 1.40 C ATOM 1105 O HIS B 71 10.539 -7.105 6.687 1.00 2.07 O ATOM 1106 CB HIS B 71 11.034 -5.120 4.446 1.00 1.36 C ATOM 1107 CG HIS B 71 12.338 -5.582 5.010 1.00 2.14 C ATOM 1108 ND1 HIS B 71 13.168 -4.732 5.680 1.00 3.29 N ATOM 1109 CD2 HIS B 71 12.962 -6.786 4.990 1.00 2.59 C ATOM 1110 CE1 HIS B 71 14.255 -5.379 6.059 1.00 4.17 C ATOM 1111 NE2 HIS B 71 14.155 -6.632 5.652 1.00 3.81 N ATOM 0 H HIS B 71 7.864 -5.400 4.639 1.00 0.43 H new ATOM 0 HA HIS B 71 9.574 -6.479 3.647 1.00 0.26 H new ATOM 0 HB2 HIS B 71 11.167 -4.932 3.381 1.00 1.36 H new ATOM 0 HB3 HIS B 71 10.777 -4.167 4.908 1.00 1.36 H new ATOM 0 HD2 HIS B 71 12.591 -7.694 4.539 1.00 2.59 H new ATOM 0 HE1 HIS B 71 15.084 -4.956 6.608 1.00 4.17 H new ATOM 0 HE2 HIS B 71 14.849 -7.364 5.804 1.00 3.81 H new ATOM 1120 N ARG B 72 10.158 -8.471 4.940 1.00 2.21 N ATOM 1121 CA ARG B 72 10.485 -9.686 5.681 1.00 3.46 C ATOM 1122 C ARG B 72 11.461 -10.554 4.894 1.00 4.52 C ATOM 1123 O ARG B 72 11.416 -10.599 3.665 1.00 5.58 O ATOM 1124 CB ARG B 72 9.217 -10.490 5.996 1.00 3.97 C ATOM 1125 CG ARG B 72 7.984 -9.632 6.257 1.00 4.43 C ATOM 1126 CD ARG B 72 6.915 -9.831 5.190 1.00 5.21 C ATOM 1127 NE ARG B 72 7.487 -10.030 3.859 1.00 5.65 N ATOM 1128 CZ ARG B 72 6.812 -10.535 2.829 1.00 6.19 C ATOM 1129 NH1 ARG B 72 5.539 -10.885 2.969 1.00 6.95 N ATOM 1130 NH2 ARG B 72 7.411 -10.692 1.657 1.00 6.14 N ATOM 0 H ARG B 72 9.891 -8.628 3.968 1.00 2.21 H new ATOM 0 HA ARG B 72 10.955 -9.387 6.618 1.00 3.46 H new ATOM 0 HB2 ARG B 72 9.009 -11.161 5.163 1.00 3.97 H new ATOM 0 HB3 ARG B 72 9.403 -11.114 6.870 1.00 3.97 H new ATOM 0 HG2 ARG B 72 7.571 -9.879 7.235 1.00 4.43 H new ATOM 0 HG3 ARG B 72 8.273 -8.582 6.289 1.00 4.43 H new ATOM 0 HD2 ARG B 72 6.301 -10.693 5.451 1.00 5.21 H new ATOM 0 HD3 ARG B 72 6.256 -8.963 5.173 1.00 5.21 H new ATOM 0 HE ARG B 72 8.461 -9.766 3.711 1.00 5.65 H new ATOM 0 HH11 ARG B 72 5.074 -10.767 3.869 1.00 6.95 H new ATOM 0 HH12 ARG B 72 5.026 -11.272 2.176 1.00 6.95 H new ATOM 0 HH21 ARG B 72 8.389 -10.426 1.544 1.00 6.14 H new ATOM 0 HH22 ARG B 72 6.894 -11.079 0.868 1.00 6.14 H new ATOM 1144 N VAL B 73 12.341 -11.244 5.613 1.00 4.34 N ATOM 1145 CA VAL B 73 13.328 -12.113 4.983 1.00 5.27 C ATOM 1146 C VAL B 73 13.880 -13.128 5.978 1.00 4.88 C ATOM 1147 O VAL B 73 13.740 -12.897 7.197 1.00 4.84 O ATOM 1148 CB VAL B 73 14.498 -11.306 4.390 1.00 4.97 C ATOM 1149 CG1 VAL B 73 14.092 -10.667 3.071 1.00 5.74 C ATOM 1150 CG2 VAL B 73 14.977 -10.252 5.377 1.00 4.69 C ATOM 1151 OXT VAL B 73 14.448 -14.147 5.530 1.00 4.84 O ATOM 0 H VAL B 73 12.390 -11.218 6.631 1.00 4.34 H new ATOM 0 HA VAL B 73 12.815 -12.637 4.176 1.00 5.27 H new ATOM 0 HB VAL B 73 15.324 -11.990 4.197 1.00 4.97 H new ATOM 0 HG11 VAL B 73 14.932 -10.101 2.667 1.00 5.74 H new ATOM 0 HG12 VAL B 73 13.805 -11.445 2.363 1.00 5.74 H new ATOM 0 HG13 VAL B 73 13.248 -9.997 3.236 1.00 5.74 H new ATOM 0 HG21 VAL B 73 15.804 -9.693 4.939 1.00 4.69 H new ATOM 0 HG22 VAL B 73 14.159 -9.570 5.606 1.00 4.69 H new ATOM 0 HG23 VAL B 73 15.312 -10.737 6.294 1.00 4.69 H new TER 1161 VAL B 73