USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 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 10 SER OG : rot 102:sc= 1.2 USER MOD Set 1.2: A 17 ASN :FLIP amide:sc= -2.56! F(o=-3.4,f=-0.4!) USER MOD Set 1.3: A 20 GLN :FLIP amide:sc= 0.964 F(o=-1.6,f=-0.4) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.908 K(o=-0.91,f=-9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.36) USER MOD Single : A -5 GLN :FLIP amide:sc= -0.0306 F(o=-0.99,f=-0.031) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 76:sc= 0.348 USER MOD Single : A 31 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.22) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 72:sc= 0.142 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN :FLIP amide:sc= -0.0781 F(o=-0.75,f=-0.078) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 141:sc= 0.289 USER MOD Single : A -17 ASN :FLIP amide:sc= 0.488 F(o=-0.66,f=0.49) USER MOD Single : A -18 MET CE :methyl -152:sc= -0.37 (180deg=-1.32!) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -12.619 -19.808 20.817 1.00 0.00 N ATOM 2 CA MET A -18 -12.924 -19.204 19.494 1.00 0.00 C ATOM 3 C MET A -18 -14.398 -18.824 19.387 1.00 0.00 C ATOM 4 O MET A -18 -14.734 -17.709 18.988 1.00 0.00 O ATOM 5 CB MET A -18 -12.554 -20.212 18.403 1.00 0.00 C ATOM 6 CG MET A -18 -11.341 -19.803 17.582 1.00 0.00 C ATOM 7 SD MET A -18 -11.740 -18.586 16.312 1.00 0.00 S ATOM 8 CE MET A -18 -12.915 -19.505 15.321 1.00 0.00 C ATOM 0 H1 MET A -18 -11.610 -20.056 20.861 1.00 0.00 H new ATOM 0 H2 MET A -18 -12.841 -19.125 21.570 1.00 0.00 H new ATOM 0 H3 MET A -18 -13.193 -20.666 20.948 1.00 0.00 H new ATOM 0 HA MET A -18 -12.343 -18.290 19.374 1.00 0.00 H new ATOM 0 HB2 MET A -18 -12.360 -21.180 18.865 1.00 0.00 H new ATOM 0 HB3 MET A -18 -13.406 -20.342 17.736 1.00 0.00 H new ATOM 0 HG2 MET A -18 -10.579 -19.394 18.246 1.00 0.00 H new ATOM 0 HG3 MET A -18 -10.911 -20.687 17.111 1.00 0.00 H new ATOM 0 HE1 MET A -18 -12.883 -19.146 14.292 1.00 0.00 H new ATOM 0 HE2 MET A -18 -12.660 -20.565 15.344 1.00 0.00 H new ATOM 0 HE3 MET A -18 -13.918 -19.365 15.723 1.00 0.00 H new ATOM 20 N ASN A -17 -15.272 -19.759 19.746 1.00 0.00 N ATOM 21 CA ASN A -17 -16.711 -19.523 19.691 1.00 0.00 C ATOM 22 C ASN A -17 -17.229 -18.955 21.011 1.00 0.00 C ATOM 23 O ASN A -17 -18.253 -19.399 21.529 1.00 0.00 O ATOM 24 CB ASN A -17 -17.446 -20.823 19.358 1.00 0.00 C ATOM 25 CG ASN A -17 -18.869 -20.581 18.896 1.00 0.00 C ATOM 26 OD1 ASN A -17 -19.080 -20.617 17.585 1.00 0.00 O flip ATOM 27 ND2 ASN A -17 -19.769 -20.363 19.707 1.00 0.00 N flip ATOM 0 H ASN A -17 -15.009 -20.687 20.078 1.00 0.00 H new ATOM 0 HA ASN A -17 -16.902 -18.790 18.907 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -16.900 -21.357 18.580 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -17.457 -21.466 20.238 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -19.562 -20.344 20.706 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -20.722 -20.201 19.380 1.00 0.00 H new ATOM 34 N SER A -16 -16.516 -17.970 21.550 1.00 0.00 N ATOM 35 CA SER A -16 -16.910 -17.344 22.807 1.00 0.00 C ATOM 36 C SER A -16 -17.776 -16.114 22.557 1.00 0.00 C ATOM 37 O SER A -16 -17.357 -15.170 21.887 1.00 0.00 O ATOM 38 CB SER A -16 -15.673 -16.954 23.618 1.00 0.00 C ATOM 39 OG SER A -16 -15.268 -18.010 24.473 1.00 0.00 O ATOM 0 H SER A -16 -15.665 -17.589 21.137 1.00 0.00 H new ATOM 0 HA SER A -16 -17.495 -18.068 23.374 1.00 0.00 H new ATOM 0 HB2 SER A -16 -14.858 -16.697 22.942 1.00 0.00 H new ATOM 0 HB3 SER A -16 -15.889 -16.065 24.210 1.00 0.00 H new ATOM 0 HG SER A -16 -14.289 -18.058 24.492 1.00 0.00 H new ATOM 45 N VAL A -15 -18.983 -16.124 23.111 1.00 0.00 N ATOM 46 CA VAL A -15 -19.903 -15.006 22.946 1.00 0.00 C ATOM 47 C VAL A -15 -19.808 -14.053 24.126 1.00 0.00 C ATOM 48 O VAL A -15 -20.143 -12.874 24.014 1.00 0.00 O ATOM 49 CB VAL A -15 -21.359 -15.489 22.802 1.00 0.00 C ATOM 50 CG1 VAL A -15 -22.277 -14.327 22.446 1.00 0.00 C ATOM 51 CG2 VAL A -15 -21.453 -16.594 21.761 1.00 0.00 C ATOM 0 H VAL A -15 -19.346 -16.891 23.676 1.00 0.00 H new ATOM 0 HA VAL A -15 -19.615 -14.486 22.033 1.00 0.00 H new ATOM 0 HB VAL A -15 -21.685 -15.895 23.760 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -23.301 -14.689 22.349 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -22.232 -13.573 23.232 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -21.957 -13.886 21.502 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -22.488 -16.923 21.672 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -21.108 -16.217 20.798 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -20.830 -17.435 22.066 1.00 0.00 H new ATOM 61 N LYS A -14 -19.322 -14.559 25.250 1.00 0.00 N ATOM 62 CA LYS A -14 -19.151 -13.741 26.438 1.00 0.00 C ATOM 63 C LYS A -14 -17.792 -13.058 26.394 1.00 0.00 C ATOM 64 O LYS A -14 -17.628 -11.941 26.883 1.00 0.00 O ATOM 65 CB LYS A -14 -19.279 -14.591 27.704 1.00 0.00 C ATOM 66 CG LYS A -14 -19.156 -13.790 28.990 1.00 0.00 C ATOM 67 CD LYS A -14 -19.020 -14.699 30.201 1.00 0.00 C ATOM 68 CE LYS A -14 -17.567 -15.057 30.469 1.00 0.00 C ATOM 69 NZ LYS A -14 -17.309 -15.287 31.918 1.00 0.00 N ATOM 0 H LYS A -14 -19.040 -15.533 25.363 1.00 0.00 H new ATOM 0 HA LYS A -14 -19.934 -12.983 26.460 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -20.243 -15.100 27.694 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -18.510 -15.364 27.692 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -18.289 -13.132 28.929 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -20.032 -13.153 29.108 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -19.442 -14.206 31.077 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -19.596 -15.610 30.040 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -17.304 -15.953 29.907 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -16.923 -14.255 30.109 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -16.307 -15.529 32.058 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -17.535 -14.424 32.452 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -17.904 -16.070 32.257 1.00 0.00 H new ATOM 83 N GLU A -13 -16.825 -13.735 25.781 1.00 0.00 N ATOM 84 CA GLU A -13 -15.486 -13.195 25.646 1.00 0.00 C ATOM 85 C GLU A -13 -15.426 -12.238 24.466 1.00 0.00 C ATOM 86 O GLU A -13 -14.713 -11.235 24.497 1.00 0.00 O ATOM 87 CB GLU A -13 -14.465 -14.321 25.463 1.00 0.00 C ATOM 88 CG GLU A -13 -14.677 -15.495 26.405 1.00 0.00 C ATOM 89 CD GLU A -13 -13.607 -16.559 26.258 1.00 0.00 C ATOM 90 OE1 GLU A -13 -13.177 -16.815 25.114 1.00 0.00 O ATOM 91 OE2 GLU A -13 -13.199 -17.136 27.288 1.00 0.00 O ATOM 0 H GLU A -13 -16.950 -14.660 25.371 1.00 0.00 H new ATOM 0 HA GLU A -13 -15.239 -12.651 26.558 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -14.512 -14.679 24.434 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -13.463 -13.920 25.616 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -14.687 -15.134 27.433 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -15.654 -15.938 26.213 1.00 0.00 H new ATOM 98 N LEU A -12 -16.189 -12.556 23.429 1.00 0.00 N ATOM 99 CA LEU A -12 -16.237 -11.724 22.235 1.00 0.00 C ATOM 100 C LEU A -12 -17.156 -10.523 22.437 1.00 0.00 C ATOM 101 O LEU A -12 -17.004 -9.498 21.774 1.00 0.00 O ATOM 102 CB LEU A -12 -16.705 -12.543 21.030 1.00 0.00 C ATOM 103 CG LEU A -12 -16.473 -11.883 19.669 1.00 0.00 C ATOM 104 CD1 LEU A -12 -16.172 -12.933 18.611 1.00 0.00 C ATOM 105 CD2 LEU A -12 -17.682 -11.050 19.270 1.00 0.00 C ATOM 0 H LEU A -12 -16.783 -13.384 23.391 1.00 0.00 H new ATOM 0 HA LEU A -12 -15.229 -11.356 22.045 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -16.192 -13.505 21.042 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -17.770 -12.748 21.141 1.00 0.00 H new ATOM 0 HG LEU A -12 -15.611 -11.221 19.748 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -16.010 -12.445 17.650 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -15.276 -13.487 18.892 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -17.014 -13.621 18.531 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -17.501 -10.587 18.300 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -18.561 -11.691 19.208 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -17.851 -10.274 20.016 1.00 0.00 H new ATOM 117 N ASN A -11 -18.109 -10.654 23.356 1.00 0.00 N ATOM 118 CA ASN A -11 -19.044 -9.575 23.635 1.00 0.00 C ATOM 119 C ASN A -11 -18.482 -8.620 24.680 1.00 0.00 C ATOM 120 O ASN A -11 -18.776 -7.425 24.669 1.00 0.00 O ATOM 121 CB ASN A -11 -20.388 -10.135 24.103 1.00 0.00 C ATOM 122 CG ASN A -11 -21.444 -9.057 24.245 1.00 0.00 C ATOM 123 OD1 ASN A -11 -21.379 -8.306 25.339 1.00 0.00 O flip ATOM 124 ND2 ASN A -11 -22.307 -8.900 23.382 1.00 0.00 N flip ATOM 0 H ASN A -11 -18.252 -11.494 23.917 1.00 0.00 H new ATOM 0 HA ASN A -11 -19.198 -9.019 22.710 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -20.733 -10.886 23.393 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -20.255 -10.639 25.061 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -22.319 -9.500 22.557 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -23.010 -8.170 23.491 1.00 0.00 H new ATOM 131 N VAL A -10 -17.669 -9.157 25.579 1.00 0.00 N ATOM 132 CA VAL A -10 -17.059 -8.357 26.634 1.00 0.00 C ATOM 133 C VAL A -10 -15.933 -7.489 26.078 1.00 0.00 C ATOM 134 O VAL A -10 -15.792 -6.324 26.449 1.00 0.00 O ATOM 135 CB VAL A -10 -16.506 -9.245 27.767 1.00 0.00 C ATOM 136 CG1 VAL A -10 -15.412 -10.164 27.245 1.00 0.00 C ATOM 137 CG2 VAL A -10 -15.993 -8.390 28.916 1.00 0.00 C ATOM 0 H VAL A -10 -17.416 -10.145 25.600 1.00 0.00 H new ATOM 0 HA VAL A -10 -17.841 -7.716 27.041 1.00 0.00 H new ATOM 0 HB VAL A -10 -17.319 -9.867 28.143 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -15.036 -10.782 28.061 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -15.818 -10.805 26.462 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -14.597 -9.565 26.838 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -15.607 -9.035 29.705 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -15.196 -7.739 28.557 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -16.808 -7.783 29.310 1.00 0.00 H new ATOM 147 N LYS A -9 -15.134 -8.067 25.186 1.00 0.00 N ATOM 148 CA LYS A -9 -14.020 -7.351 24.577 1.00 0.00 C ATOM 149 C LYS A -9 -14.507 -6.095 23.860 1.00 0.00 C ATOM 150 O LYS A -9 -13.865 -5.046 23.918 1.00 0.00 O ATOM 151 CB LYS A -9 -13.279 -8.261 23.593 1.00 0.00 C ATOM 152 CG LYS A -9 -11.888 -8.659 24.061 1.00 0.00 C ATOM 153 CD LYS A -9 -11.839 -10.117 24.492 1.00 0.00 C ATOM 154 CE LYS A -9 -10.498 -10.468 25.116 1.00 0.00 C ATOM 155 NZ LYS A -9 -10.646 -11.426 26.245 1.00 0.00 N ATOM 0 H LYS A -9 -15.238 -9.031 24.869 1.00 0.00 H new ATOM 0 HA LYS A -9 -13.335 -7.051 25.370 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -13.870 -9.162 23.429 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -13.198 -7.753 22.632 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -11.171 -8.492 23.257 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -11.587 -8.022 24.893 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -12.637 -10.313 25.208 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -12.020 -10.759 23.630 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -9.846 -10.900 24.357 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -10.014 -9.559 25.472 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -9.710 -11.640 26.644 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -11.248 -11.005 26.981 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -11.084 -12.304 25.900 1.00 0.00 H new ATOM 169 N GLU A -8 -15.646 -6.210 23.185 1.00 0.00 N ATOM 170 CA GLU A -8 -16.221 -5.085 22.455 1.00 0.00 C ATOM 171 C GLU A -8 -16.497 -3.916 23.388 1.00 0.00 C ATOM 172 O GLU A -8 -15.819 -2.889 23.339 1.00 0.00 O ATOM 173 CB GLU A -8 -17.514 -5.511 21.758 1.00 0.00 C ATOM 174 CG GLU A -8 -17.283 -6.258 20.454 1.00 0.00 C ATOM 175 CD GLU A -8 -16.831 -5.344 19.332 1.00 0.00 C ATOM 176 OE1 GLU A -8 -15.783 -4.683 19.491 1.00 0.00 O ATOM 177 OE2 GLU A -8 -17.525 -5.289 18.295 1.00 0.00 O ATOM 0 H GLU A -8 -16.190 -7.071 23.128 1.00 0.00 H new ATOM 0 HA GLU A -8 -15.499 -4.764 21.704 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -18.090 -6.144 22.433 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -18.118 -4.626 21.558 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -16.533 -7.033 20.611 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -18.204 -6.761 20.159 1.00 0.00 H new ATOM 184 N MET A -7 -17.496 -4.088 24.234 1.00 0.00 N ATOM 185 CA MET A -7 -17.884 -3.058 25.192 1.00 0.00 C ATOM 186 C MET A -7 -16.685 -2.598 26.016 1.00 0.00 C ATOM 187 O MET A -7 -16.548 -1.412 26.326 1.00 0.00 O ATOM 188 CB MET A -7 -18.981 -3.586 26.119 1.00 0.00 C ATOM 189 CG MET A -7 -18.544 -4.776 26.959 1.00 0.00 C ATOM 190 SD MET A -7 -19.817 -5.312 28.118 1.00 0.00 S ATOM 191 CE MET A -7 -19.196 -4.619 29.648 1.00 0.00 C ATOM 0 H MET A -7 -18.060 -4.937 24.280 1.00 0.00 H new ATOM 0 HA MET A -7 -18.266 -2.203 24.634 1.00 0.00 H new ATOM 0 HB2 MET A -7 -19.304 -2.783 26.781 1.00 0.00 H new ATOM 0 HB3 MET A -7 -19.846 -3.872 25.520 1.00 0.00 H new ATOM 0 HG2 MET A -7 -18.285 -5.605 26.301 1.00 0.00 H new ATOM 0 HG3 MET A -7 -17.642 -4.514 27.512 1.00 0.00 H new ATOM 0 HE1 MET A -7 -19.877 -4.866 30.462 1.00 0.00 H new ATOM 0 HE2 MET A -7 -18.210 -5.033 29.861 1.00 0.00 H new ATOM 0 HE3 MET A -7 -19.122 -3.536 29.553 1.00 0.00 H new ATOM 201 N LYS A -6 -15.815 -3.542 26.365 1.00 0.00 N ATOM 202 CA LYS A -6 -14.625 -3.235 27.150 1.00 0.00 C ATOM 203 C LYS A -6 -13.789 -2.160 26.466 1.00 0.00 C ATOM 204 O LYS A -6 -13.553 -1.094 27.034 1.00 0.00 O ATOM 205 CB LYS A -6 -13.785 -4.495 27.366 1.00 0.00 C ATOM 206 CG LYS A -6 -12.574 -4.275 28.257 1.00 0.00 C ATOM 207 CD LYS A -6 -12.926 -4.439 29.729 1.00 0.00 C ATOM 208 CE LYS A -6 -12.189 -5.614 30.353 1.00 0.00 C ATOM 209 NZ LYS A -6 -10.776 -5.275 30.679 1.00 0.00 N ATOM 0 H LYS A -6 -15.913 -4.526 26.116 1.00 0.00 H new ATOM 0 HA LYS A -6 -14.948 -2.858 28.120 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -14.413 -5.269 27.806 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -13.450 -4.868 26.398 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -11.790 -4.983 27.988 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -12.173 -3.276 28.087 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -12.676 -3.525 30.267 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -14.001 -4.587 29.832 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -12.706 -5.926 31.261 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -12.210 -6.461 29.667 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -10.309 -6.102 31.102 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -10.275 -5.002 29.809 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -10.756 -4.484 31.353 1.00 0.00 H new ATOM 223 N GLN A -5 -13.349 -2.438 25.242 1.00 0.00 N ATOM 224 CA GLN A -5 -12.552 -1.478 24.496 1.00 0.00 C ATOM 225 C GLN A -5 -13.437 -0.484 23.750 1.00 0.00 C ATOM 226 O GLN A -5 -12.978 0.222 22.852 1.00 0.00 O ATOM 227 CB GLN A -5 -11.677 -2.211 23.494 1.00 0.00 C ATOM 228 CG GLN A -5 -10.524 -2.972 24.126 1.00 0.00 C ATOM 229 CD GLN A -5 -10.773 -4.466 24.184 1.00 0.00 C ATOM 230 OE1 GLN A -5 -11.167 -4.955 25.355 1.00 0.00 O flip ATOM 231 NE2 GLN A -5 -10.615 -5.173 23.190 1.00 0.00 N flip ATOM 0 H GLN A -5 -13.531 -3.314 24.752 1.00 0.00 H new ATOM 0 HA GLN A -5 -11.935 -0.928 25.207 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -12.295 -2.909 22.929 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -11.277 -1.491 22.780 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -9.613 -2.781 23.558 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -10.355 -2.596 25.135 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -10.311 -4.756 22.310 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -10.788 -6.177 23.245 1.00 0.00 H new ATOM 240 N LEU A -4 -14.696 -0.417 24.149 1.00 0.00 N ATOM 241 CA LEU A -4 -15.648 0.506 23.550 1.00 0.00 C ATOM 242 C LEU A -4 -15.633 1.826 24.301 1.00 0.00 C ATOM 243 O LEU A -4 -15.115 2.831 23.817 1.00 0.00 O ATOM 244 CB LEU A -4 -17.058 -0.092 23.554 1.00 0.00 C ATOM 245 CG LEU A -4 -18.137 0.790 22.918 1.00 0.00 C ATOM 246 CD1 LEU A -4 -18.471 0.301 21.518 1.00 0.00 C ATOM 247 CD2 LEU A -4 -19.386 0.818 23.787 1.00 0.00 C ATOM 0 H LEU A -4 -15.086 -0.996 24.892 1.00 0.00 H new ATOM 0 HA LEU A -4 -15.356 0.683 22.515 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -17.033 -1.046 23.028 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -17.344 -0.304 24.584 1.00 0.00 H new ATOM 0 HG LEU A -4 -17.749 1.806 22.843 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -19.239 0.940 21.083 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -17.576 0.336 20.897 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -18.838 -0.724 21.569 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -20.141 1.450 23.319 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -19.776 -0.194 23.896 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -19.137 1.218 24.770 1.00 0.00 H new ATOM 259 N HIS A -3 -16.202 1.796 25.497 1.00 0.00 N ATOM 260 CA HIS A -3 -16.265 2.971 26.360 1.00 0.00 C ATOM 261 C HIS A -3 -16.704 4.204 25.577 1.00 0.00 C ATOM 262 O HIS A -3 -16.304 5.327 25.886 1.00 0.00 O ATOM 263 CB HIS A -3 -14.904 3.213 27.014 1.00 0.00 C ATOM 264 CG HIS A -3 -14.935 4.237 28.105 1.00 0.00 C ATOM 265 ND1 HIS A -3 -13.931 5.164 28.293 1.00 0.00 N ATOM 266 CD2 HIS A -3 -15.852 4.478 29.071 1.00 0.00 C ATOM 267 CE1 HIS A -3 -14.230 5.930 29.327 1.00 0.00 C ATOM 268 NE2 HIS A -3 -15.391 5.535 29.816 1.00 0.00 N ATOM 0 H HIS A -3 -16.632 0.962 25.897 1.00 0.00 H new ATOM 0 HA HIS A -3 -17.006 2.786 27.138 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -14.534 2.272 27.421 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -14.195 3.530 26.250 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -16.775 3.939 29.227 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -13.627 6.741 29.708 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -15.868 5.948 30.617 1.00 0.00 H new ATOM 277 N GLY A -2 -17.531 3.981 24.562 1.00 0.00 N ATOM 278 CA GLY A -2 -18.018 5.077 23.745 1.00 0.00 C ATOM 279 C GLY A -2 -17.540 4.987 22.310 1.00 0.00 C ATOM 280 O GLY A -2 -17.944 4.090 21.570 1.00 0.00 O ATOM 0 H GLY A -2 -17.873 3.060 24.290 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -19.108 5.082 23.762 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -17.688 6.022 24.176 1.00 0.00 H new ATOM 284 N GLY A -1 -16.677 5.916 21.916 1.00 0.00 N ATOM 285 CA GLY A -1 -16.156 5.920 20.561 1.00 0.00 C ATOM 286 C GLY A -1 -14.699 5.507 20.500 1.00 0.00 C ATOM 287 O GLY A -1 -14.000 5.522 21.513 1.00 0.00 O ATOM 0 H GLY A -1 -16.328 6.667 22.511 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -16.748 5.243 19.945 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -16.266 6.917 20.135 1.00 0.00 H new ATOM 291 N VAL A 1 -14.241 5.139 19.308 1.00 0.00 N ATOM 292 CA VAL A 1 -12.857 4.720 19.119 1.00 0.00 C ATOM 293 C VAL A 1 -11.936 5.925 18.963 1.00 0.00 C ATOM 294 O VAL A 1 -12.100 6.730 18.047 1.00 0.00 O ATOM 295 CB VAL A 1 -12.708 3.811 17.884 1.00 0.00 C ATOM 296 CG1 VAL A 1 -13.297 2.436 18.161 1.00 0.00 C ATOM 297 CG2 VAL A 1 -13.365 4.447 16.668 1.00 0.00 C ATOM 0 H VAL A 1 -14.807 5.122 18.460 1.00 0.00 H new ATOM 0 HA VAL A 1 -12.572 4.159 20.009 1.00 0.00 H new ATOM 0 HB VAL A 1 -11.646 3.690 17.670 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -13.183 1.807 17.278 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.775 1.979 19.002 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -14.355 2.535 18.402 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -13.249 3.790 15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -14.426 4.601 16.866 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.892 5.406 16.459 1.00 0.00 H new ATOM 307 N ASN A 2 -10.967 6.043 19.865 1.00 0.00 N ATOM 308 CA ASN A 2 -10.020 7.151 19.826 1.00 0.00 C ATOM 309 C ASN A 2 -8.777 6.833 20.651 1.00 0.00 C ATOM 310 O ASN A 2 -8.243 7.697 21.348 1.00 0.00 O ATOM 311 CB ASN A 2 -10.684 8.432 20.342 1.00 0.00 C ATOM 312 CG ASN A 2 -10.570 9.578 19.356 1.00 0.00 C ATOM 313 OD1 ASN A 2 -11.278 9.620 18.350 1.00 0.00 O ATOM 314 ND2 ASN A 2 -9.676 10.518 19.641 1.00 0.00 N ATOM 0 H ASN A 2 -10.817 5.386 20.631 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.713 7.303 18.791 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -11.736 8.236 20.547 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.224 8.722 21.287 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.556 11.314 19.015 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.110 10.444 20.486 1.00 0.00 H new ATOM 321 N TYR A 3 -8.320 5.588 20.568 1.00 0.00 N ATOM 322 CA TYR A 3 -7.139 5.155 21.306 1.00 0.00 C ATOM 323 C TYR A 3 -6.810 3.698 20.997 1.00 0.00 C ATOM 324 O TYR A 3 -6.422 2.937 21.885 1.00 0.00 O ATOM 325 CB TYR A 3 -7.355 5.334 22.809 1.00 0.00 C ATOM 326 CG TYR A 3 -6.122 5.806 23.546 1.00 0.00 C ATOM 327 CD1 TYR A 3 -5.802 7.156 23.610 1.00 0.00 C ATOM 328 CD2 TYR A 3 -5.278 4.901 24.176 1.00 0.00 C ATOM 329 CE1 TYR A 3 -4.676 7.592 24.282 1.00 0.00 C ATOM 330 CE2 TYR A 3 -4.149 5.328 24.850 1.00 0.00 C ATOM 331 CZ TYR A 3 -3.853 6.673 24.900 1.00 0.00 C ATOM 332 OH TYR A 3 -2.730 7.102 25.570 1.00 0.00 O ATOM 0 H TYR A 3 -8.750 4.861 19.997 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.298 5.774 20.992 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.160 6.051 22.969 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.683 4.386 23.236 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.444 7.877 23.126 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.507 3.846 24.139 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.442 8.645 24.323 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.503 4.611 25.335 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.261 6.330 25.949 1.00 0.00 H new ATOM 342 N GLY A 4 -6.969 3.316 19.736 1.00 0.00 N ATOM 343 CA GLY A 4 -6.685 1.951 19.332 1.00 0.00 C ATOM 344 C GLY A 4 -5.696 1.876 18.185 1.00 0.00 C ATOM 345 O GLY A 4 -5.983 1.278 17.149 1.00 0.00 O ATOM 0 H GLY A 4 -7.290 3.927 18.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.290 1.399 20.184 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.614 1.462 19.038 1.00 0.00 H new ATOM 349 N ASN A 5 -4.530 2.485 18.370 1.00 0.00 N ATOM 350 CA ASN A 5 -3.497 2.482 17.339 1.00 0.00 C ATOM 351 C ASN A 5 -2.715 1.178 17.359 1.00 0.00 C ATOM 352 O ASN A 5 -2.281 0.681 16.319 1.00 0.00 O ATOM 353 CB ASN A 5 -2.545 3.662 17.536 1.00 0.00 C ATOM 354 CG ASN A 5 -2.008 3.743 18.952 1.00 0.00 C ATOM 355 OD1 ASN A 5 -0.999 3.119 19.283 1.00 0.00 O ATOM 356 ND2 ASN A 5 -2.683 4.514 19.796 1.00 0.00 N ATOM 0 H ASN A 5 -4.276 2.986 19.222 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.987 2.578 16.370 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.712 3.573 16.839 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.065 4.589 17.294 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.371 4.608 20.762 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.514 5.013 19.478 1.00 0.00 H new ATOM 363 N GLY A 6 -2.543 0.632 18.551 1.00 0.00 N ATOM 364 CA GLY A 6 -1.815 -0.614 18.704 1.00 0.00 C ATOM 365 C GLY A 6 -0.354 -0.482 18.324 1.00 0.00 C ATOM 366 O GLY A 6 0.207 -1.360 17.671 1.00 0.00 O ATOM 0 H GLY A 6 -2.896 1.030 19.422 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.889 -0.950 19.738 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.280 -1.381 18.085 1.00 0.00 H new ATOM 370 N VAL A 7 0.263 0.623 18.735 1.00 0.00 N ATOM 371 CA VAL A 7 1.668 0.870 18.434 1.00 0.00 C ATOM 372 C VAL A 7 2.526 0.742 19.689 1.00 0.00 C ATOM 373 O VAL A 7 2.017 0.787 20.809 1.00 0.00 O ATOM 374 CB VAL A 7 1.876 2.270 17.825 1.00 0.00 C ATOM 375 CG1 VAL A 7 3.260 2.385 17.205 1.00 0.00 C ATOM 376 CG2 VAL A 7 0.798 2.574 16.795 1.00 0.00 C ATOM 0 H VAL A 7 -0.188 1.360 19.277 1.00 0.00 H new ATOM 0 HA VAL A 7 1.974 0.118 17.707 1.00 0.00 H new ATOM 0 HB VAL A 7 1.799 3.006 18.626 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.387 3.381 16.781 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.017 2.218 17.971 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.369 1.639 16.418 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.964 3.567 16.377 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.838 1.833 15.996 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.181 2.540 17.272 1.00 0.00 H new ATOM 386 N SER A 8 3.830 0.579 19.494 1.00 0.00 N ATOM 387 CA SER A 8 4.759 0.443 20.610 1.00 0.00 C ATOM 388 C SER A 8 5.697 1.642 20.690 1.00 0.00 C ATOM 389 O SER A 8 5.905 2.349 19.704 1.00 0.00 O ATOM 390 CB SER A 8 5.569 -0.847 20.471 1.00 0.00 C ATOM 391 OG SER A 8 5.740 -1.479 21.728 1.00 0.00 O ATOM 0 H SER A 8 4.268 0.538 18.574 1.00 0.00 H new ATOM 0 HA SER A 8 4.177 0.401 21.531 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.063 -1.526 19.785 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.544 -0.623 20.037 1.00 0.00 H new ATOM 0 HG SER A 8 6.259 -2.302 21.612 1.00 0.00 H new ATOM 397 N CYS A 9 6.263 1.864 21.872 1.00 0.00 N ATOM 398 CA CYS A 9 7.181 2.975 22.084 1.00 0.00 C ATOM 399 C CYS A 9 8.624 2.544 21.844 1.00 0.00 C ATOM 400 O CYS A 9 9.062 1.506 22.340 1.00 0.00 O ATOM 401 CB CYS A 9 7.032 3.521 23.506 1.00 0.00 C ATOM 402 SG CYS A 9 5.998 5.016 23.622 1.00 0.00 S ATOM 0 H CYS A 9 6.101 1.288 22.698 1.00 0.00 H new ATOM 0 HA CYS A 9 6.932 3.760 21.370 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.602 2.745 24.139 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.022 3.745 23.904 1.00 0.00 H new ATOM 407 N SER A 10 9.359 3.351 21.087 1.00 0.00 N ATOM 408 CA SER A 10 10.755 3.055 20.787 1.00 0.00 C ATOM 409 C SER A 10 11.481 4.295 20.285 1.00 0.00 C ATOM 410 O SER A 10 11.235 4.770 19.176 1.00 0.00 O ATOM 411 CB SER A 10 10.859 1.941 19.748 1.00 0.00 C ATOM 412 OG SER A 10 9.812 2.028 18.797 1.00 0.00 O ATOM 0 H SER A 10 9.012 4.215 20.670 1.00 0.00 H new ATOM 0 HA SER A 10 11.229 2.724 21.711 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.821 2.003 19.240 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.823 0.972 20.245 1.00 0.00 H new ATOM 0 HG SER A 10 10.155 2.422 17.968 1.00 0.00 H new ATOM 418 N LYS A 11 12.384 4.811 21.111 1.00 0.00 N ATOM 419 CA LYS A 11 13.165 5.993 20.768 1.00 0.00 C ATOM 420 C LYS A 11 12.285 7.216 20.494 1.00 0.00 C ATOM 421 O LYS A 11 12.791 8.281 20.143 1.00 0.00 O ATOM 422 CB LYS A 11 14.026 5.693 19.548 1.00 0.00 C ATOM 423 CG LYS A 11 15.301 6.517 19.482 1.00 0.00 C ATOM 424 CD LYS A 11 16.378 5.813 18.670 1.00 0.00 C ATOM 425 CE LYS A 11 16.416 6.320 17.237 1.00 0.00 C ATOM 426 NZ LYS A 11 17.807 6.414 16.718 1.00 0.00 N ATOM 0 H LYS A 11 12.594 4.425 22.031 1.00 0.00 H new ATOM 0 HA LYS A 11 13.793 6.234 21.626 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.288 4.635 19.550 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.440 5.874 18.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.085 7.488 19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.668 6.703 20.491 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.350 5.970 19.139 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.193 4.739 18.672 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.835 5.652 16.600 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.943 7.301 17.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.789 6.763 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.355 7.071 17.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.251 5.474 16.742 1.00 0.00 H new ATOM 440 N THR A 12 10.973 7.066 20.655 1.00 0.00 N ATOM 441 CA THR A 12 10.051 8.165 20.423 1.00 0.00 C ATOM 442 C THR A 12 8.797 8.024 21.281 1.00 0.00 C ATOM 443 O THR A 12 8.736 7.184 22.178 1.00 0.00 O ATOM 444 CB THR A 12 9.680 8.240 18.951 1.00 0.00 C ATOM 445 OG1 THR A 12 8.925 9.408 18.677 1.00 0.00 O ATOM 446 CG2 THR A 12 8.876 7.057 18.515 1.00 0.00 C ATOM 0 H THR A 12 10.529 6.195 20.945 1.00 0.00 H new ATOM 0 HA THR A 12 10.551 9.091 20.709 1.00 0.00 H new ATOM 0 HB THR A 12 10.621 8.259 18.400 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.699 9.436 17.724 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.633 7.152 17.457 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.453 6.146 18.674 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.955 7.009 19.096 1.00 0.00 H new ATOM 454 N LYS A 13 7.796 8.852 20.996 1.00 0.00 N ATOM 455 CA LYS A 13 6.544 8.822 21.735 1.00 0.00 C ATOM 456 C LYS A 13 5.713 7.602 21.350 1.00 0.00 C ATOM 457 O LYS A 13 6.148 6.769 20.554 1.00 0.00 O ATOM 458 CB LYS A 13 5.745 10.101 21.477 1.00 0.00 C ATOM 459 CG LYS A 13 6.242 11.298 22.271 1.00 0.00 C ATOM 460 CD LYS A 13 5.951 12.604 21.551 1.00 0.00 C ATOM 461 CE LYS A 13 5.608 13.715 22.529 1.00 0.00 C ATOM 462 NZ LYS A 13 6.826 14.314 23.141 1.00 0.00 N ATOM 0 H LYS A 13 7.831 9.553 20.256 1.00 0.00 H new ATOM 0 HA LYS A 13 6.779 8.757 22.797 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.787 10.338 20.414 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.698 9.922 21.723 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.766 11.308 23.252 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.315 11.205 22.438 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.818 12.895 20.958 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.123 12.461 20.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.042 14.491 22.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.964 13.320 23.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.548 15.068 23.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.353 13.580 23.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.429 14.714 22.394 1.00 0.00 H new ATOM 476 N CYS A 14 4.515 7.502 21.920 1.00 0.00 N ATOM 477 CA CYS A 14 3.624 6.383 21.636 1.00 0.00 C ATOM 478 C CYS A 14 2.430 6.835 20.799 1.00 0.00 C ATOM 479 O CYS A 14 1.307 6.371 20.999 1.00 0.00 O ATOM 480 CB CYS A 14 3.137 5.752 22.943 1.00 0.00 C ATOM 481 SG CYS A 14 4.104 4.303 23.474 1.00 0.00 S ATOM 0 H CYS A 14 4.140 8.182 22.581 1.00 0.00 H new ATOM 0 HA CYS A 14 4.182 5.640 21.066 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.168 6.505 23.731 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.095 5.456 22.825 1.00 0.00 H new ATOM 486 N SER A 15 2.677 7.744 19.860 1.00 0.00 N ATOM 487 CA SER A 15 1.616 8.254 18.998 1.00 0.00 C ATOM 488 C SER A 15 2.153 8.620 17.618 1.00 0.00 C ATOM 489 O SER A 15 3.226 9.213 17.500 1.00 0.00 O ATOM 490 CB SER A 15 0.955 9.475 19.640 1.00 0.00 C ATOM 491 OG SER A 15 -0.444 9.475 19.417 1.00 0.00 O ATOM 0 H SER A 15 3.599 8.141 19.677 1.00 0.00 H new ATOM 0 HA SER A 15 0.874 7.465 18.877 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.155 9.479 20.711 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.391 10.386 19.230 1.00 0.00 H new ATOM 0 HG SER A 15 -0.843 10.265 19.839 1.00 0.00 H new ATOM 497 N VAL A 16 1.388 8.262 16.583 1.00 0.00 N ATOM 498 CA VAL A 16 1.744 8.537 15.185 1.00 0.00 C ATOM 499 C VAL A 16 3.255 8.616 14.959 1.00 0.00 C ATOM 500 O VAL A 16 3.883 9.640 15.226 1.00 0.00 O ATOM 501 CB VAL A 16 1.087 9.838 14.681 1.00 0.00 C ATOM 502 CG1 VAL A 16 1.583 11.043 15.469 1.00 0.00 C ATOM 503 CG2 VAL A 16 1.342 10.022 13.190 1.00 0.00 C ATOM 0 H VAL A 16 0.500 7.771 16.690 1.00 0.00 H new ATOM 0 HA VAL A 16 1.362 7.690 14.614 1.00 0.00 H new ATOM 0 HB VAL A 16 0.011 9.758 14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.103 11.946 15.092 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.338 10.914 16.523 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.663 11.132 15.356 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.871 10.945 12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.415 10.074 13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.922 9.178 12.642 1.00 0.00 H new ATOM 513 N ASN A 17 3.826 7.530 14.450 1.00 0.00 N ATOM 514 CA ASN A 17 5.255 7.476 14.174 1.00 0.00 C ATOM 515 C ASN A 17 5.546 7.980 12.763 1.00 0.00 C ATOM 516 O ASN A 17 6.161 7.283 11.955 1.00 0.00 O ATOM 517 CB ASN A 17 5.775 6.047 14.344 1.00 0.00 C ATOM 518 CG ASN A 17 5.764 5.595 15.791 1.00 0.00 C ATOM 519 OD1 ASN A 17 6.690 6.123 16.583 1.00 0.00 O flip ATOM 520 ND2 ASN A 17 4.932 4.781 16.193 1.00 0.00 N flip ATOM 0 H ASN A 17 3.320 6.675 14.220 1.00 0.00 H new ATOM 0 HA ASN A 17 5.769 8.122 14.886 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.164 5.368 13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.791 5.985 13.955 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.238 4.401 15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.937 4.487 17.170 1.00 0.00 H new ATOM 527 N TRP A 18 5.094 9.197 12.474 1.00 0.00 N ATOM 528 CA TRP A 18 5.296 9.805 11.162 1.00 0.00 C ATOM 529 C TRP A 18 6.770 9.795 10.761 1.00 0.00 C ATOM 530 O TRP A 18 7.098 9.859 9.577 1.00 0.00 O ATOM 531 CB TRP A 18 4.761 11.241 11.154 1.00 0.00 C ATOM 532 CG TRP A 18 3.832 11.522 10.012 1.00 0.00 C ATOM 533 CD1 TRP A 18 4.011 11.173 8.705 1.00 0.00 C ATOM 534 CD2 TRP A 18 2.579 12.213 10.075 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.946 11.603 7.951 1.00 0.00 N ATOM 536 CE2 TRP A 18 2.053 12.244 8.769 1.00 0.00 C ATOM 537 CE3 TRP A 18 1.849 12.808 11.110 1.00 0.00 C ATOM 538 CZ2 TRP A 18 0.832 12.846 8.472 1.00 0.00 C ATOM 539 CZ3 TRP A 18 0.638 13.405 10.813 1.00 0.00 C ATOM 540 CH2 TRP A 18 0.140 13.420 9.503 1.00 0.00 C ATOM 0 H TRP A 18 4.583 9.784 13.134 1.00 0.00 H new ATOM 0 HA TRP A 18 4.744 9.211 10.433 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.240 11.432 12.092 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.601 11.934 11.109 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.866 10.637 8.319 1.00 0.00 H new ATOM 0 HE1 TRP A 18 2.838 11.467 6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.225 12.801 12.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.446 12.859 7.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.066 13.868 11.604 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.809 13.894 9.303 1.00 0.00 H new ATOM 551 N GLY A 19 7.654 9.714 11.751 1.00 0.00 N ATOM 552 CA GLY A 19 9.080 9.694 11.473 1.00 0.00 C ATOM 553 C GLY A 19 9.658 8.295 11.551 1.00 0.00 C ATOM 554 O GLY A 19 10.346 7.840 10.633 1.00 0.00 O ATOM 0 H GLY A 19 7.409 9.662 12.740 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.261 10.105 10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.596 10.339 12.184 1.00 0.00 H new ATOM 558 N GLN A 20 9.368 7.600 12.646 1.00 0.00 N ATOM 559 CA GLN A 20 9.858 6.242 12.826 1.00 0.00 C ATOM 560 C GLN A 20 9.454 5.383 11.638 1.00 0.00 C ATOM 561 O GLN A 20 10.309 4.865 10.920 1.00 0.00 O ATOM 562 CB GLN A 20 9.319 5.642 14.127 1.00 0.00 C ATOM 563 CG GLN A 20 10.384 4.958 14.968 1.00 0.00 C ATOM 564 CD GLN A 20 9.799 4.172 16.125 1.00 0.00 C ATOM 565 OE1 GLN A 20 10.427 3.048 16.453 1.00 0.00 O flip ATOM 566 NE2 GLN A 20 8.797 4.571 16.718 1.00 0.00 N flip ATOM 0 H GLN A 20 8.800 7.953 13.416 1.00 0.00 H new ATOM 0 HA GLN A 20 10.946 6.269 12.889 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.854 6.432 14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.537 4.921 13.888 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.966 4.287 14.335 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.073 5.709 15.355 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.347 5.440 16.431 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.416 4.032 17.496 1.00 0.00 H new ATOM 575 N ALA A 21 8.148 5.243 11.418 1.00 0.00 N ATOM 576 CA ALA A 21 7.670 4.455 10.292 1.00 0.00 C ATOM 577 C ALA A 21 8.052 5.072 8.963 1.00 0.00 C ATOM 578 O ALA A 21 7.880 4.467 7.905 1.00 0.00 O ATOM 579 CB ALA A 21 6.182 4.192 10.369 1.00 0.00 C ATOM 0 H ALA A 21 7.416 5.658 11.995 1.00 0.00 H new ATOM 0 HA ALA A 21 8.172 3.489 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.872 3.601 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.956 3.645 11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.645 5.140 10.371 1.00 0.00 H new ATOM 585 N PHE A 22 8.620 6.249 9.033 1.00 0.00 N ATOM 586 CA PHE A 22 9.092 6.930 7.842 1.00 0.00 C ATOM 587 C PHE A 22 10.272 6.137 7.321 1.00 0.00 C ATOM 588 O PHE A 22 10.422 5.911 6.120 1.00 0.00 O ATOM 589 CB PHE A 22 9.507 8.371 8.145 1.00 0.00 C ATOM 590 CG PHE A 22 9.424 9.280 6.951 1.00 0.00 C ATOM 591 CD1 PHE A 22 8.312 9.262 6.126 1.00 0.00 C ATOM 592 CD2 PHE A 22 10.461 10.151 6.656 1.00 0.00 C ATOM 593 CE1 PHE A 22 8.234 10.098 5.027 1.00 0.00 C ATOM 594 CE2 PHE A 22 10.389 10.988 5.560 1.00 0.00 C ATOM 595 CZ PHE A 22 9.275 10.961 4.743 1.00 0.00 C ATOM 0 H PHE A 22 8.770 6.761 9.902 1.00 0.00 H new ATOM 0 HA PHE A 22 8.295 6.986 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.871 8.765 8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.529 8.375 8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.497 8.588 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.335 10.175 7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.361 10.076 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.203 11.663 5.342 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.218 11.613 3.884 1.00 0.00 H new ATOM 605 N GLN A 23 11.080 5.675 8.270 1.00 0.00 N ATOM 606 CA GLN A 23 12.229 4.846 7.966 1.00 0.00 C ATOM 607 C GLN A 23 11.758 3.422 7.673 1.00 0.00 C ATOM 608 O GLN A 23 12.414 2.674 6.947 1.00 0.00 O ATOM 609 CB GLN A 23 13.208 4.849 9.145 1.00 0.00 C ATOM 610 CG GLN A 23 14.493 5.611 8.866 1.00 0.00 C ATOM 611 CD GLN A 23 14.294 7.113 8.871 1.00 0.00 C ATOM 612 OE1 GLN A 23 14.530 7.779 9.880 1.00 0.00 O ATOM 613 NE2 GLN A 23 13.857 7.656 7.741 1.00 0.00 N ATOM 0 H GLN A 23 10.954 5.866 9.264 1.00 0.00 H new ATOM 0 HA GLN A 23 12.743 5.244 7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.717 5.287 10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.455 3.819 9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.239 5.345 9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.890 5.304 7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.674 7.066 6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.704 8.663 7.685 1.00 0.00 H new ATOM 622 N GLU A 24 10.605 3.058 8.246 1.00 0.00 N ATOM 623 CA GLU A 24 10.032 1.734 8.052 1.00 0.00 C ATOM 624 C GLU A 24 9.357 1.627 6.686 1.00 0.00 C ATOM 625 O GLU A 24 9.341 0.559 6.073 1.00 0.00 O ATOM 626 CB GLU A 24 9.050 1.400 9.189 1.00 0.00 C ATOM 627 CG GLU A 24 7.575 1.486 8.815 1.00 0.00 C ATOM 628 CD GLU A 24 6.664 0.997 9.925 1.00 0.00 C ATOM 629 OE1 GLU A 24 7.180 0.433 10.913 1.00 0.00 O ATOM 630 OE2 GLU A 24 5.434 1.180 9.808 1.00 0.00 O ATOM 0 H GLU A 24 10.054 3.669 8.849 1.00 0.00 H new ATOM 0 HA GLU A 24 10.839 1.002 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.260 0.392 9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.238 2.078 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.325 2.519 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.396 0.895 7.916 1.00 0.00 H new ATOM 637 N ARG A 25 8.801 2.739 6.216 1.00 0.00 N ATOM 638 CA ARG A 25 8.128 2.769 4.925 1.00 0.00 C ATOM 639 C ARG A 25 9.136 2.701 3.786 1.00 0.00 C ATOM 640 O ARG A 25 8.877 2.105 2.740 1.00 0.00 O ATOM 641 CB ARG A 25 7.263 4.030 4.801 1.00 0.00 C ATOM 642 CG ARG A 25 8.050 5.318 4.597 1.00 0.00 C ATOM 643 CD ARG A 25 7.257 6.328 3.782 1.00 0.00 C ATOM 644 NE ARG A 25 7.306 6.033 2.352 1.00 0.00 N ATOM 645 CZ ARG A 25 6.826 6.844 1.411 1.00 0.00 C ATOM 646 NH1 ARG A 25 6.260 7.997 1.744 1.00 0.00 N ATOM 647 NH2 ARG A 25 6.911 6.500 0.134 1.00 0.00 N ATOM 0 H ARG A 25 8.804 3.631 6.711 1.00 0.00 H new ATOM 0 HA ARG A 25 7.480 1.895 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.575 3.903 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.656 4.129 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.304 5.749 5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.989 5.096 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.220 6.330 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.652 7.328 3.960 1.00 0.00 H new ATOM 0 HE ARG A 25 7.733 5.155 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.191 8.266 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.894 8.614 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.344 5.614 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.543 7.121 -0.587 1.00 0.00 H new ATOM 661 N TYR A 26 10.282 3.322 4.005 1.00 0.00 N ATOM 662 CA TYR A 26 11.348 3.352 3.012 1.00 0.00 C ATOM 663 C TYR A 26 11.908 1.953 2.773 1.00 0.00 C ATOM 664 O TYR A 26 12.332 1.625 1.665 1.00 0.00 O ATOM 665 CB TYR A 26 12.467 4.292 3.465 1.00 0.00 C ATOM 666 CG TYR A 26 13.028 5.151 2.354 1.00 0.00 C ATOM 667 CD1 TYR A 26 12.215 6.035 1.655 1.00 0.00 C ATOM 668 CD2 TYR A 26 14.371 5.079 2.007 1.00 0.00 C ATOM 669 CE1 TYR A 26 12.727 6.823 0.640 1.00 0.00 C ATOM 670 CE2 TYR A 26 14.890 5.865 0.994 1.00 0.00 C ATOM 671 CZ TYR A 26 14.063 6.733 0.314 1.00 0.00 C ATOM 672 OH TYR A 26 14.576 7.517 -0.695 1.00 0.00 O ATOM 0 H TYR A 26 10.502 3.817 4.869 1.00 0.00 H new ATOM 0 HA TYR A 26 10.930 3.721 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.088 4.939 4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.274 3.700 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.168 6.108 1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.021 4.398 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.083 7.506 0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.937 5.799 0.737 1.00 0.00 H new ATOM 0 HH TYR A 26 15.533 7.333 -0.798 1.00 0.00 H new ATOM 682 N THR A 27 11.906 1.134 3.819 1.00 0.00 N ATOM 683 CA THR A 27 12.415 -0.229 3.722 1.00 0.00 C ATOM 684 C THR A 27 11.414 -1.135 3.014 1.00 0.00 C ATOM 685 O THR A 27 11.797 -2.029 2.259 1.00 0.00 O ATOM 686 CB THR A 27 12.723 -0.780 5.116 1.00 0.00 C ATOM 687 OG1 THR A 27 13.577 0.100 5.825 1.00 0.00 O ATOM 688 CG2 THR A 27 13.387 -2.140 5.088 1.00 0.00 C ATOM 0 H THR A 27 11.558 1.390 4.743 1.00 0.00 H new ATOM 0 HA THR A 27 13.334 -0.207 3.136 1.00 0.00 H new ATOM 0 HB THR A 27 11.756 -0.875 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.063 0.874 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.578 -2.473 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.732 -2.855 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.330 -2.073 4.546 1.00 0.00 H new ATOM 696 N ALA A 28 10.131 -0.900 3.265 1.00 0.00 N ATOM 697 CA ALA A 28 9.073 -1.697 2.653 1.00 0.00 C ATOM 698 C ALA A 28 9.048 -1.510 1.140 1.00 0.00 C ATOM 699 O ALA A 28 8.971 -2.480 0.387 1.00 0.00 O ATOM 700 CB ALA A 28 7.724 -1.332 3.256 1.00 0.00 C ATOM 0 H ALA A 28 9.798 -0.164 3.888 1.00 0.00 H new ATOM 0 HA ALA A 28 9.278 -2.748 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.943 -1.933 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.741 -1.525 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.521 -0.276 3.081 1.00 0.00 H new ATOM 706 N GLY A 29 9.108 -0.256 0.701 1.00 0.00 N ATOM 707 CA GLY A 29 9.088 0.033 -0.722 1.00 0.00 C ATOM 708 C GLY A 29 10.316 -0.490 -1.438 1.00 0.00 C ATOM 709 O GLY A 29 10.209 -1.294 -2.365 1.00 0.00 O ATOM 0 H GLY A 29 9.170 0.564 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.196 -0.409 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.017 1.111 -0.870 1.00 0.00 H new ATOM 713 N ILE A 30 11.489 -0.033 -1.010 1.00 0.00 N ATOM 714 CA ILE A 30 12.744 -0.459 -1.616 1.00 0.00 C ATOM 715 C ILE A 30 12.892 -1.979 -1.566 1.00 0.00 C ATOM 716 O ILE A 30 13.566 -2.573 -2.407 1.00 0.00 O ATOM 717 CB ILE A 30 13.955 0.194 -0.919 1.00 0.00 C ATOM 718 CG1 ILE A 30 13.822 1.718 -0.948 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.256 -0.238 -1.582 1.00 0.00 C ATOM 720 CD1 ILE A 30 14.973 2.439 -0.280 1.00 0.00 C ATOM 0 H ILE A 30 11.596 0.633 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 30 12.720 -0.136 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 30 13.975 -0.137 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.749 2.048 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.892 2.003 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.097 0.234 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.355 -1.322 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.248 0.064 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 30 14.811 3.515 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.033 2.138 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 30 15.904 2.184 -0.785 1.00 0.00 H new ATOM 732 N ASN A 31 12.255 -2.602 -0.577 1.00 0.00 N ATOM 733 CA ASN A 31 12.316 -4.054 -0.420 1.00 0.00 C ATOM 734 C ASN A 31 11.949 -4.758 -1.724 1.00 0.00 C ATOM 735 O ASN A 31 12.789 -5.407 -2.348 1.00 0.00 O ATOM 736 CB ASN A 31 11.378 -4.505 0.703 1.00 0.00 C ATOM 737 CG ASN A 31 12.127 -5.123 1.868 1.00 0.00 C ATOM 738 OD1 ASN A 31 11.879 -6.268 2.243 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.049 -4.363 2.447 1.00 0.00 N ATOM 0 H ASN A 31 11.691 -2.125 0.127 1.00 0.00 H new ATOM 0 HA ASN A 31 13.339 -4.326 -0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.802 -3.650 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.665 -5.228 0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.585 -4.724 3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.221 -3.419 2.102 1.00 0.00 H new ATOM 746 N SER A 32 10.691 -4.619 -2.133 1.00 0.00 N ATOM 747 CA SER A 32 10.218 -5.238 -3.367 1.00 0.00 C ATOM 748 C SER A 32 11.054 -4.771 -4.554 1.00 0.00 C ATOM 749 O SER A 32 11.279 -5.521 -5.503 1.00 0.00 O ATOM 750 CB SER A 32 8.745 -4.902 -3.601 1.00 0.00 C ATOM 751 OG SER A 32 7.898 -5.822 -2.935 1.00 0.00 O ATOM 0 H SER A 32 9.983 -4.085 -1.630 1.00 0.00 H new ATOM 0 HA SER A 32 10.322 -6.319 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.539 -3.892 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.532 -4.915 -4.670 1.00 0.00 H new ATOM 0 HG SER A 32 6.962 -5.583 -3.100 1.00 0.00 H new ATOM 757 N PHE A 33 11.514 -3.526 -4.487 1.00 0.00 N ATOM 758 CA PHE A 33 12.329 -2.952 -5.549 1.00 0.00 C ATOM 759 C PHE A 33 13.658 -3.698 -5.668 1.00 0.00 C ATOM 760 O PHE A 33 14.107 -4.016 -6.772 1.00 0.00 O ATOM 761 CB PHE A 33 12.562 -1.457 -5.277 1.00 0.00 C ATOM 762 CG PHE A 33 13.900 -0.940 -5.731 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.086 -0.502 -7.032 1.00 0.00 C ATOM 764 CD2 PHE A 33 14.971 -0.895 -4.853 1.00 0.00 C ATOM 765 CE1 PHE A 33 15.314 -0.026 -7.450 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.202 -0.419 -5.264 1.00 0.00 C ATOM 767 CZ PHE A 33 16.374 0.016 -6.564 1.00 0.00 C ATOM 0 H PHE A 33 11.335 -2.895 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 33 11.801 -3.055 -6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.778 -0.884 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.461 -1.276 -4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.261 -0.533 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.843 -1.236 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.445 0.313 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.029 -0.387 -4.570 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.335 0.388 -6.887 1.00 0.00 H new ATOM 777 N VAL A 34 14.282 -3.974 -4.526 1.00 0.00 N ATOM 778 CA VAL A 34 15.558 -4.681 -4.507 1.00 0.00 C ATOM 779 C VAL A 34 15.462 -6.001 -5.261 1.00 0.00 C ATOM 780 O VAL A 34 15.997 -6.131 -6.356 1.00 0.00 O ATOM 781 CB VAL A 34 16.038 -4.947 -3.064 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.403 -5.623 -3.065 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.076 -3.650 -2.266 1.00 0.00 C ATOM 0 H VAL A 34 13.926 -3.720 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 34 16.285 -4.038 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 34 15.328 -5.622 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.722 -5.801 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.338 -6.573 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.128 -4.979 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.417 -3.857 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.761 -2.949 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.077 -3.214 -2.232 1.00 0.00 H new ATOM 793 N SER A 35 14.792 -6.986 -4.669 1.00 0.00 N ATOM 794 CA SER A 35 14.655 -8.286 -5.280 1.00 0.00 C ATOM 795 C SER A 35 14.212 -8.200 -6.719 1.00 0.00 C ATOM 796 O SER A 35 14.899 -8.710 -7.602 1.00 0.00 O ATOM 797 CB SER A 35 13.672 -9.142 -4.475 1.00 0.00 C ATOM 798 OG SER A 35 13.258 -8.473 -3.295 1.00 0.00 O ATOM 0 H SER A 35 14.336 -6.898 -3.761 1.00 0.00 H new ATOM 0 HA SER A 35 15.640 -8.754 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.802 -9.375 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.141 -10.090 -4.213 1.00 0.00 H new ATOM 0 HG SER A 35 12.657 -7.736 -3.531 1.00 0.00 H new ATOM 804 N GLY A 36 13.093 -7.546 -6.970 1.00 0.00 N ATOM 805 CA GLY A 36 12.640 -7.412 -8.341 1.00 0.00 C ATOM 806 C GLY A 36 13.836 -7.309 -9.266 1.00 0.00 C ATOM 807 O GLY A 36 13.905 -7.968 -10.303 1.00 0.00 O ATOM 0 H GLY A 36 12.497 -7.111 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.027 -8.270 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.013 -6.526 -8.442 1.00 0.00 H new ATOM 811 N VAL A 37 14.800 -6.499 -8.837 1.00 0.00 N ATOM 812 CA VAL A 37 16.037 -6.309 -9.550 1.00 0.00 C ATOM 813 C VAL A 37 17.120 -7.293 -9.089 1.00 0.00 C ATOM 814 O VAL A 37 17.516 -8.198 -9.823 1.00 0.00 O ATOM 815 CB VAL A 37 16.555 -4.867 -9.382 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.832 -4.653 -10.182 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.485 -3.868 -9.796 1.00 0.00 C ATOM 0 H VAL A 37 14.733 -5.956 -7.976 1.00 0.00 H new ATOM 0 HA VAL A 37 15.824 -6.498 -10.602 1.00 0.00 H new ATOM 0 HB VAL A 37 16.788 -4.707 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.178 -3.628 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.600 -5.344 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.634 -4.833 -11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.866 -2.854 -9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.220 -4.031 -10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.601 -4.002 -9.173 1.00 0.00 H new ATOM 827 N ALA A 38 17.621 -7.060 -7.870 1.00 0.00 N ATOM 828 CA ALA A 38 18.689 -7.857 -7.285 1.00 0.00 C ATOM 829 C ALA A 38 18.227 -9.142 -6.613 1.00 0.00 C ATOM 830 O ALA A 38 18.454 -10.248 -7.102 1.00 0.00 O ATOM 831 CB ALA A 38 19.465 -7.015 -6.278 1.00 0.00 C ATOM 0 H ALA A 38 17.291 -6.308 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 38 19.320 -8.162 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.264 -7.614 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.895 -6.149 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.792 -6.679 -5.490 1.00 0.00 H new ATOM 837 N SER A 39 17.637 -8.957 -5.439 1.00 0.00 N ATOM 838 CA SER A 39 17.186 -10.045 -4.586 1.00 0.00 C ATOM 839 C SER A 39 16.095 -10.922 -5.212 1.00 0.00 C ATOM 840 O SER A 39 15.591 -11.841 -4.566 1.00 0.00 O ATOM 841 CB SER A 39 16.728 -9.448 -3.260 1.00 0.00 C ATOM 842 OG SER A 39 17.116 -10.264 -2.168 1.00 0.00 O ATOM 0 H SER A 39 17.456 -8.032 -5.048 1.00 0.00 H new ATOM 0 HA SER A 39 18.025 -10.724 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.153 -8.451 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.644 -9.334 -3.265 1.00 0.00 H new ATOM 0 HG SER A 39 16.811 -9.857 -1.331 1.00 0.00 H new ATOM 848 N GLY A 40 15.731 -10.646 -6.461 1.00 0.00 N ATOM 849 CA GLY A 40 14.706 -11.433 -7.123 1.00 0.00 C ATOM 850 C GLY A 40 15.285 -12.403 -8.132 1.00 0.00 C ATOM 851 O GLY A 40 14.695 -13.448 -8.409 1.00 0.00 O ATOM 0 H GLY A 40 16.126 -9.894 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.137 -11.987 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.006 -10.765 -7.625 1.00 0.00 H new ATOM 855 N ALA A 41 16.444 -12.059 -8.682 1.00 0.00 N ATOM 856 CA ALA A 41 17.108 -12.904 -9.664 1.00 0.00 C ATOM 857 C ALA A 41 18.532 -12.431 -9.924 1.00 0.00 C ATOM 858 O ALA A 41 19.490 -12.974 -9.373 1.00 0.00 O ATOM 859 CB ALA A 41 16.308 -12.937 -10.959 1.00 0.00 C ATOM 0 H ALA A 41 16.944 -11.197 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 41 17.162 -13.915 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.816 -13.572 -11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.313 -13.335 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.222 -11.927 -11.359 1.00 0.00 H new ATOM 865 N GLY A 42 18.658 -11.418 -10.764 1.00 0.00 N ATOM 866 CA GLY A 42 19.965 -10.877 -11.090 1.00 0.00 C ATOM 867 C GLY A 42 20.725 -11.744 -12.075 1.00 0.00 C ATOM 868 O GLY A 42 21.609 -12.507 -11.687 1.00 0.00 O ATOM 0 H GLY A 42 17.877 -10.957 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 42 19.847 -9.877 -11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 42 20.550 -10.774 -10.176 1.00 0.00 H new ATOM 872 N SER A 43 20.381 -11.625 -13.353 1.00 0.00 N ATOM 873 CA SER A 43 21.037 -12.402 -14.397 1.00 0.00 C ATOM 874 C SER A 43 20.948 -11.689 -15.743 1.00 0.00 C ATOM 875 O SER A 43 20.890 -12.327 -16.794 1.00 0.00 O ATOM 876 CB SER A 43 20.408 -13.792 -14.501 1.00 0.00 C ATOM 877 OG SER A 43 21.390 -14.779 -14.761 1.00 0.00 O ATOM 0 H SER A 43 19.651 -10.997 -13.690 1.00 0.00 H new ATOM 0 HA SER A 43 22.089 -12.507 -14.130 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.887 -14.029 -13.573 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.662 -13.798 -15.296 1.00 0.00 H new ATOM 0 HG SER A 43 20.962 -15.658 -14.821 1.00 0.00 H new ATOM 883 N ILE A 44 20.937 -10.359 -15.704 1.00 0.00 N ATOM 884 CA ILE A 44 20.854 -9.558 -16.919 1.00 0.00 C ATOM 885 C ILE A 44 22.057 -8.630 -17.049 1.00 0.00 C ATOM 886 O ILE A 44 21.925 -7.474 -17.452 1.00 0.00 O ATOM 887 CB ILE A 44 19.563 -8.716 -16.952 1.00 0.00 C ATOM 888 CG1 ILE A 44 18.350 -9.584 -16.609 1.00 0.00 C ATOM 889 CG2 ILE A 44 19.387 -8.066 -18.316 1.00 0.00 C ATOM 890 CD1 ILE A 44 18.134 -10.729 -17.575 1.00 0.00 C ATOM 0 H ILE A 44 20.985 -9.814 -14.843 1.00 0.00 H new ATOM 0 HA ILE A 44 20.844 -10.255 -17.757 1.00 0.00 H new ATOM 0 HB ILE A 44 19.644 -7.928 -16.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.474 -9.986 -15.603 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.458 -8.958 -16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.471 -7.475 -18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 44 20.238 -7.417 -18.523 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.325 -8.839 -19.082 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.258 -11.301 -17.271 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.978 -10.334 -18.579 1.00 0.00 H new ATOM 0 HD13 ILE A 44 19.010 -11.378 -17.572 1.00 0.00 H new ATOM 902 N GLY A 45 23.234 -9.145 -16.705 1.00 0.00 N ATOM 903 CA GLY A 45 24.446 -8.351 -16.790 1.00 0.00 C ATOM 904 C GLY A 45 25.564 -9.076 -17.513 1.00 0.00 C ATOM 905 O GLY A 45 25.574 -9.147 -18.742 1.00 0.00 O ATOM 0 H GLY A 45 23.370 -10.098 -16.369 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.229 -7.416 -17.307 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.777 -8.090 -15.785 1.00 0.00 H new ATOM 909 N ARG A 46 26.508 -9.615 -16.749 1.00 0.00 N ATOM 910 CA ARG A 46 27.636 -10.338 -17.323 1.00 0.00 C ATOM 911 C ARG A 46 27.580 -11.817 -16.954 1.00 0.00 C ATOM 912 O ARG A 46 28.166 -12.633 -17.694 1.00 0.00 O ATOM 913 CB ARG A 46 28.956 -9.730 -16.842 1.00 0.00 C ATOM 914 CG ARG A 46 30.172 -10.254 -17.586 1.00 0.00 C ATOM 915 CD ARG A 46 31.378 -10.374 -16.668 1.00 0.00 C ATOM 916 NE ARG A 46 32.396 -11.266 -17.217 1.00 0.00 N ATOM 917 CZ ARG A 46 33.366 -11.819 -16.492 1.00 0.00 C ATOM 918 NH1 ARG A 46 33.452 -11.575 -15.190 1.00 0.00 N ATOM 919 NH2 ARG A 46 34.251 -12.618 -17.070 1.00 0.00 N ATOM 920 OXT ARG A 46 26.948 -12.145 -15.927 1.00 0.00 O ATOM 0 H ARG A 46 26.514 -9.565 -15.730 1.00 0.00 H new ATOM 0 HA ARG A 46 27.577 -10.251 -18.408 1.00 0.00 H new ATOM 0 HB2 ARG A 46 28.910 -8.647 -16.955 1.00 0.00 H new ATOM 0 HB3 ARG A 46 29.075 -9.935 -15.778 1.00 0.00 H new ATOM 0 HG2 ARG A 46 29.944 -11.228 -18.018 1.00 0.00 H new ATOM 0 HG3 ARG A 46 30.409 -9.586 -18.414 1.00 0.00 H new ATOM 0 HD2 ARG A 46 31.810 -9.387 -16.506 1.00 0.00 H new ATOM 0 HD3 ARG A 46 31.057 -10.745 -15.695 1.00 0.00 H new ATOM 0 HE ARG A 46 32.362 -11.478 -18.214 1.00 0.00 H new ATOM 0 HH11 ARG A 46 32.773 -10.961 -14.740 1.00 0.00 H new ATOM 0 HH12 ARG A 46 34.197 -12.001 -14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 46 34.189 -12.809 -18.070 1.00 0.00 H new ATOM 0 HH22 ARG A 46 34.994 -13.042 -16.515 1.00 0.00 H new TER 934 ARG A 46