USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 612 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 31 ASN : amide:sc= 0.0421 K(o=-0.12,f=-2.9!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -147:sc= -0.424 (180deg=-1.47) USER MOD Set 1.3: A 37 SER OG : rot 138:sc= 0.266 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.031 (180deg=-0.0648) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.596 X(o=-0.6,f=-0.76) USER MOD Single : A 13 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.5!) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0.601 (180deg=0.58) USER MOD Single : A 18 SER OG : rot 179:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.47 K(o=-1.5,f=-3) USER MOD Single : A 33 ASN : amide:sc= -0.254 K(o=-0.25,f=-2) USER MOD Single : A 38 SER OG : rot 71:sc= 0.924 USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= -0.0132 (180deg=-0.255) USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.0541 (180deg=-0.279) USER MOD Single : A 43 SER OG : rot 58:sc= 0.881 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.11) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -74:sc= 0.716 USER MOD Single : A 66 TYR OH : rot 103:sc= 0.00164 USER MOD Single : A 67 SER OG : rot 57:sc= 0.568 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.6!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.144 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= 0.418 F(o=-0.79,f=0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.662 -8.838 6.324 1.00 61.44 N ATOM 2 CA MET A 1 1.275 -8.895 4.919 1.00 51.12 C ATOM 3 C MET A 1 2.323 -8.221 4.038 1.00 33.15 C ATOM 4 O MET A 1 2.936 -7.231 4.435 1.00 23.42 O ATOM 5 CB MET A 1 -0.086 -8.226 4.715 1.00 3.23 C ATOM 6 CG MET A 1 -0.068 -6.726 4.962 1.00 52.13 C ATOM 7 SD MET A 1 -0.428 -5.773 3.474 1.00 71.34 S ATOM 8 CE MET A 1 -2.033 -5.093 3.887 1.00 63.22 C ATOM 0 H1 MET A 1 0.816 -8.692 6.911 1.00 61.44 H new ATOM 0 H2 MET A 1 2.121 -9.731 6.594 1.00 61.44 H new ATOM 0 H3 MET A 1 2.325 -8.050 6.470 1.00 61.44 H new ATOM 0 HA MET A 1 1.203 -9.944 4.630 1.00 51.12 H new ATOM 0 HB2 MET A 1 -0.425 -8.414 3.696 1.00 3.23 H new ATOM 0 HB3 MET A 1 -0.813 -8.688 5.384 1.00 3.23 H new ATOM 0 HG2 MET A 1 -0.799 -6.480 5.732 1.00 52.13 H new ATOM 0 HG3 MET A 1 0.910 -6.437 5.346 1.00 52.13 H new ATOM 0 HE1 MET A 1 -2.390 -4.477 3.062 1.00 63.22 H new ATOM 0 HE2 MET A 1 -2.737 -5.905 4.065 1.00 63.22 H new ATOM 0 HE3 MET A 1 -1.949 -4.482 4.786 1.00 63.22 H new ATOM 18 N ASN A 2 2.522 -8.765 2.842 1.00 3.31 N ATOM 19 CA ASN A 2 3.497 -8.216 1.906 1.00 11.13 C ATOM 20 C ASN A 2 2.809 -7.689 0.651 1.00 54.41 C ATOM 21 O ASN A 2 1.611 -7.891 0.456 1.00 15.02 O ATOM 22 CB ASN A 2 4.527 -9.282 1.527 1.00 1.32 C ATOM 23 CG ASN A 2 5.667 -9.365 2.524 1.00 14.04 C ATOM 24 OD1 ASN A 2 5.676 -10.228 3.402 1.00 11.14 O ATOM 25 ND2 ASN A 2 6.634 -8.465 2.393 1.00 25.32 N ATOM 0 H ASN A 2 2.022 -9.585 2.498 1.00 3.31 H new ATOM 0 HA ASN A 2 4.006 -7.386 2.395 1.00 11.13 H new ATOM 0 HB2 ASN A 2 4.034 -10.252 1.461 1.00 1.32 H new ATOM 0 HB3 ASN A 2 4.928 -9.060 0.538 1.00 1.32 H new ATOM 0 HD21 ASN A 2 7.426 -8.471 3.035 1.00 25.32 H new ATOM 0 HD22 ASN A 2 6.585 -7.768 1.650 1.00 25.32 H new ATOM 32 N ALA A 3 3.575 -7.012 -0.198 1.00 5.02 N ATOM 33 CA ALA A 3 3.041 -6.458 -1.436 1.00 32.05 C ATOM 34 C ALA A 3 4.152 -6.202 -2.448 1.00 22.51 C ATOM 35 O ALA A 3 4.603 -5.070 -2.616 1.00 4.04 O ATOM 36 CB ALA A 3 2.277 -5.173 -1.152 1.00 31.11 C ATOM 0 H ALA A 3 4.568 -6.834 -0.051 1.00 5.02 H new ATOM 0 HA ALA A 3 2.356 -7.189 -1.866 1.00 32.05 H new ATOM 0 HB1 ALA A 3 1.884 -4.770 -2.085 1.00 31.11 H new ATOM 0 HB2 ALA A 3 1.452 -5.383 -0.471 1.00 31.11 H new ATOM 0 HB3 ALA A 3 2.947 -4.444 -0.696 1.00 31.11 H new ATOM 42 N ALA A 4 4.590 -7.263 -3.120 1.00 15.54 N ATOM 43 CA ALA A 4 5.647 -7.152 -4.116 1.00 63.23 C ATOM 44 C ALA A 4 5.560 -8.282 -5.137 1.00 10.20 C ATOM 45 O ALA A 4 4.822 -9.248 -4.945 1.00 3.32 O ATOM 46 CB ALA A 4 7.011 -7.153 -3.441 1.00 52.41 C ATOM 0 H ALA A 4 4.228 -8.208 -2.992 1.00 15.54 H new ATOM 0 HA ALA A 4 5.516 -6.208 -4.645 1.00 63.23 H new ATOM 0 HB1 ALA A 4 7.791 -7.070 -4.197 1.00 52.41 H new ATOM 0 HB2 ALA A 4 7.078 -6.308 -2.755 1.00 52.41 H new ATOM 0 HB3 ALA A 4 7.142 -8.082 -2.886 1.00 52.41 H new ATOM 52 N GLU A 5 6.317 -8.153 -6.222 1.00 41.31 N ATOM 53 CA GLU A 5 6.323 -9.163 -7.273 1.00 72.23 C ATOM 54 C GLU A 5 7.392 -10.219 -7.007 1.00 73.22 C ATOM 55 O GLU A 5 8.549 -10.059 -7.396 1.00 32.21 O ATOM 56 CB GLU A 5 6.563 -8.511 -8.637 1.00 35.33 C ATOM 57 CG GLU A 5 5.330 -7.835 -9.213 1.00 41.30 C ATOM 58 CD GLU A 5 5.357 -7.766 -10.728 1.00 32.14 C ATOM 59 OE1 GLU A 5 5.130 -8.812 -11.372 1.00 42.42 O ATOM 60 OE2 GLU A 5 5.604 -6.668 -11.268 1.00 63.01 O ATOM 0 H GLU A 5 6.934 -7.359 -6.396 1.00 41.31 H new ATOM 0 HA GLU A 5 5.348 -9.651 -7.278 1.00 72.23 H new ATOM 0 HB2 GLU A 5 7.361 -7.774 -8.543 1.00 35.33 H new ATOM 0 HB3 GLU A 5 6.911 -9.270 -9.337 1.00 35.33 H new ATOM 0 HG2 GLU A 5 4.440 -8.377 -8.893 1.00 41.30 H new ATOM 0 HG3 GLU A 5 5.251 -6.826 -8.808 1.00 41.30 H new ATOM 67 N VAL A 6 6.996 -11.299 -6.341 1.00 75.10 N ATOM 68 CA VAL A 6 7.918 -12.382 -6.023 1.00 21.33 C ATOM 69 C VAL A 6 7.461 -13.695 -6.648 1.00 71.31 C ATOM 70 O VAL A 6 6.289 -14.062 -6.559 1.00 12.11 O ATOM 71 CB VAL A 6 8.057 -12.572 -4.500 1.00 72.35 C ATOM 72 CG1 VAL A 6 8.967 -13.750 -4.190 1.00 64.40 C ATOM 73 CG2 VAL A 6 8.578 -11.299 -3.850 1.00 74.44 C ATOM 0 H VAL A 6 6.042 -11.447 -6.011 1.00 75.10 H new ATOM 0 HA VAL A 6 8.887 -12.104 -6.437 1.00 21.33 H new ATOM 0 HB VAL A 6 7.072 -12.787 -4.086 1.00 72.35 H new ATOM 0 HG11 VAL A 6 9.053 -13.869 -3.110 1.00 64.40 H new ATOM 0 HG12 VAL A 6 8.547 -14.658 -4.623 1.00 64.40 H new ATOM 0 HG13 VAL A 6 9.954 -13.569 -4.615 1.00 64.40 H new ATOM 0 HG21 VAL A 6 8.670 -11.451 -2.775 1.00 74.44 H new ATOM 0 HG22 VAL A 6 9.554 -11.051 -4.266 1.00 74.44 H new ATOM 0 HG23 VAL A 6 7.883 -10.481 -4.043 1.00 74.44 H new ATOM 83 N ILE A 7 8.394 -14.399 -7.281 1.00 34.35 N ATOM 84 CA ILE A 7 8.087 -15.673 -7.920 1.00 15.24 C ATOM 85 C ILE A 7 8.955 -16.793 -7.358 1.00 31.32 C ATOM 86 O ILE A 7 10.161 -16.841 -7.601 1.00 52.44 O ATOM 87 CB ILE A 7 8.286 -15.600 -9.445 1.00 51.20 C ATOM 88 CG1 ILE A 7 8.183 -16.996 -10.062 1.00 63.12 C ATOM 89 CG2 ILE A 7 9.630 -14.967 -9.774 1.00 12.12 C ATOM 90 CD1 ILE A 7 8.127 -16.986 -11.574 1.00 15.03 C ATOM 0 H ILE A 7 9.368 -14.109 -7.365 1.00 34.35 H new ATOM 0 HA ILE A 7 7.040 -15.888 -7.709 1.00 15.24 H new ATOM 0 HB ILE A 7 7.499 -14.977 -9.870 1.00 51.20 H new ATOM 0 HG12 ILE A 7 9.039 -17.590 -9.742 1.00 63.12 H new ATOM 0 HG13 ILE A 7 7.291 -17.490 -9.677 1.00 63.12 H new ATOM 0 HG21 ILE A 7 9.756 -14.922 -10.856 1.00 12.12 H new ATOM 0 HG22 ILE A 7 9.668 -13.958 -9.362 1.00 12.12 H new ATOM 0 HG23 ILE A 7 10.430 -15.566 -9.340 1.00 12.12 H new ATOM 0 HD11 ILE A 7 8.055 -18.009 -11.942 1.00 15.03 H new ATOM 0 HD12 ILE A 7 7.255 -16.420 -11.902 1.00 15.03 H new ATOM 0 HD13 ILE A 7 9.031 -16.522 -11.969 1.00 15.03 H new ATOM 102 N VAL A 8 8.333 -17.696 -6.605 1.00 43.14 N ATOM 103 CA VAL A 8 9.048 -18.819 -6.011 1.00 4.21 C ATOM 104 C VAL A 8 8.308 -20.130 -6.249 1.00 13.13 C ATOM 105 O VAL A 8 7.133 -20.133 -6.617 1.00 33.33 O ATOM 106 CB VAL A 8 9.245 -18.620 -4.496 1.00 60.42 C ATOM 107 CG1 VAL A 8 9.761 -17.220 -4.204 1.00 12.45 C ATOM 108 CG2 VAL A 8 7.945 -18.885 -3.751 1.00 63.34 C ATOM 0 H VAL A 8 7.336 -17.671 -6.392 1.00 43.14 H new ATOM 0 HA VAL A 8 10.024 -18.864 -6.494 1.00 4.21 H new ATOM 0 HB VAL A 8 9.990 -19.335 -4.147 1.00 60.42 H new ATOM 0 HG11 VAL A 8 9.894 -17.098 -3.129 1.00 12.45 H new ATOM 0 HG12 VAL A 8 10.717 -17.072 -4.707 1.00 12.45 H new ATOM 0 HG13 VAL A 8 9.043 -16.485 -4.566 1.00 12.45 H new ATOM 0 HG21 VAL A 8 8.102 -18.740 -2.682 1.00 63.34 H new ATOM 0 HG22 VAL A 8 7.177 -18.195 -4.102 1.00 63.34 H new ATOM 0 HG23 VAL A 8 7.623 -19.910 -3.935 1.00 63.34 H new ATOM 118 N TYR A 9 9.002 -21.242 -6.036 1.00 30.14 N ATOM 119 CA TYR A 9 8.411 -22.561 -6.228 1.00 52.15 C ATOM 120 C TYR A 9 8.286 -23.302 -4.901 1.00 3.34 C ATOM 121 O TYR A 9 9.190 -23.257 -4.066 1.00 73.53 O ATOM 122 CB TYR A 9 9.253 -23.382 -7.206 1.00 73.24 C ATOM 123 CG TYR A 9 9.079 -22.968 -8.650 1.00 64.33 C ATOM 124 CD1 TYR A 9 9.223 -21.641 -9.035 1.00 14.33 C ATOM 125 CD2 TYR A 9 8.772 -23.904 -9.630 1.00 34.21 C ATOM 126 CE1 TYR A 9 9.065 -21.258 -10.353 1.00 14.44 C ATOM 127 CE2 TYR A 9 8.613 -23.530 -10.950 1.00 62.53 C ATOM 128 CZ TYR A 9 8.760 -22.206 -11.307 1.00 24.14 C ATOM 129 OH TYR A 9 8.602 -21.830 -12.621 1.00 0.43 O ATOM 0 H TYR A 9 9.975 -21.256 -5.730 1.00 30.14 H new ATOM 0 HA TYR A 9 7.412 -22.426 -6.642 1.00 52.15 H new ATOM 0 HB2 TYR A 9 10.304 -23.289 -6.934 1.00 73.24 H new ATOM 0 HB3 TYR A 9 8.990 -24.435 -7.104 1.00 73.24 H new ATOM 0 HD1 TYR A 9 9.463 -20.896 -8.291 1.00 14.33 H new ATOM 0 HD2 TYR A 9 8.656 -24.942 -9.355 1.00 34.21 H new ATOM 0 HE1 TYR A 9 9.180 -20.222 -10.635 1.00 14.44 H new ATOM 0 HE2 TYR A 9 8.375 -24.271 -11.699 1.00 62.53 H new ATOM 0 HH TYR A 9 8.391 -22.618 -13.164 1.00 0.43 H new ATOM 139 N GLU A 10 7.160 -23.982 -4.713 1.00 71.45 N ATOM 140 CA GLU A 10 6.916 -24.733 -3.487 1.00 65.02 C ATOM 141 C GLU A 10 7.176 -26.222 -3.700 1.00 52.30 C ATOM 142 O GLU A 10 6.456 -27.070 -3.173 1.00 32.41 O ATOM 143 CB GLU A 10 5.479 -24.518 -3.008 1.00 43.11 C ATOM 144 CG GLU A 10 5.250 -24.935 -1.565 1.00 40.11 C ATOM 145 CD GLU A 10 4.356 -23.968 -0.813 1.00 40.14 C ATOM 146 OE1 GLU A 10 4.575 -22.744 -0.929 1.00 22.10 O ATOM 147 OE2 GLU A 10 3.437 -24.436 -0.110 1.00 15.15 O ATOM 0 H GLU A 10 6.402 -24.029 -5.394 1.00 71.45 H new ATOM 0 HA GLU A 10 7.604 -24.367 -2.724 1.00 65.02 H new ATOM 0 HB2 GLU A 10 5.222 -23.464 -3.118 1.00 43.11 H new ATOM 0 HB3 GLU A 10 4.802 -25.080 -3.652 1.00 43.11 H new ATOM 0 HG2 GLU A 10 4.802 -25.929 -1.545 1.00 40.11 H new ATOM 0 HG3 GLU A 10 6.211 -25.008 -1.055 1.00 40.11 H new ATOM 154 N HIS A 11 8.209 -26.531 -4.477 1.00 22.32 N ATOM 155 CA HIS A 11 8.565 -27.917 -4.760 1.00 75.30 C ATOM 156 C HIS A 11 9.606 -27.995 -5.872 1.00 43.30 C ATOM 157 O HIS A 11 10.119 -26.973 -6.329 1.00 54.20 O ATOM 158 CB HIS A 11 7.321 -28.714 -5.154 1.00 72.50 C ATOM 159 CG HIS A 11 6.907 -29.724 -4.128 1.00 73.23 C ATOM 160 ND1 HIS A 11 7.797 -30.573 -3.506 1.00 21.23 N ATOM 161 CD2 HIS A 11 5.689 -30.017 -3.616 1.00 33.14 C ATOM 162 CE1 HIS A 11 7.145 -31.346 -2.656 1.00 14.22 C ATOM 163 NE2 HIS A 11 5.863 -31.028 -2.703 1.00 24.10 N ATOM 0 H HIS A 11 8.814 -25.841 -4.922 1.00 22.32 H new ATOM 0 HA HIS A 11 8.993 -28.348 -3.855 1.00 75.30 H new ATOM 0 HB2 HIS A 11 6.496 -28.023 -5.325 1.00 72.50 H new ATOM 0 HB3 HIS A 11 7.510 -29.224 -6.098 1.00 72.50 H new ATOM 0 HD2 HIS A 11 4.754 -29.544 -3.877 1.00 33.14 H new ATOM 0 HE1 HIS A 11 7.585 -32.108 -2.029 1.00 14.22 H new ATOM 0 HE2 HIS A 11 5.123 -31.463 -2.151 1.00 24.10 H new ATOM 171 N VAL A 12 9.916 -29.214 -6.303 1.00 13.43 N ATOM 172 CA VAL A 12 10.896 -29.425 -7.361 1.00 40.52 C ATOM 173 C VAL A 12 10.402 -28.859 -8.688 1.00 61.52 C ATOM 174 O VAL A 12 9.206 -28.639 -8.874 1.00 21.22 O ATOM 175 CB VAL A 12 11.216 -30.921 -7.540 1.00 11.50 C ATOM 176 CG1 VAL A 12 12.480 -31.101 -8.367 1.00 31.44 C ATOM 177 CG2 VAL A 12 11.352 -31.601 -6.186 1.00 62.34 C ATOM 0 H VAL A 12 9.502 -30.071 -5.935 1.00 13.43 H new ATOM 0 HA VAL A 12 11.804 -28.901 -7.061 1.00 40.52 H new ATOM 0 HB VAL A 12 10.391 -31.391 -8.076 1.00 11.50 H new ATOM 0 HG11 VAL A 12 12.691 -32.164 -8.483 1.00 31.44 H new ATOM 0 HG12 VAL A 12 12.340 -30.650 -9.349 1.00 31.44 H new ATOM 0 HG13 VAL A 12 13.317 -30.618 -7.862 1.00 31.44 H new ATOM 0 HG21 VAL A 12 11.578 -32.657 -6.330 1.00 62.34 H new ATOM 0 HG22 VAL A 12 12.158 -31.131 -5.622 1.00 62.34 H new ATOM 0 HG23 VAL A 12 10.417 -31.502 -5.634 1.00 62.34 H new ATOM 187 N ASN A 13 11.332 -28.628 -9.609 1.00 50.51 N ATOM 188 CA ASN A 13 10.991 -28.088 -10.920 1.00 41.33 C ATOM 189 C ASN A 13 10.664 -29.209 -11.902 1.00 12.11 C ATOM 190 O ASN A 13 11.256 -29.299 -12.978 1.00 31.55 O ATOM 191 CB ASN A 13 12.145 -27.241 -11.462 1.00 32.20 C ATOM 192 CG ASN A 13 11.664 -26.103 -12.341 1.00 73.24 C ATOM 193 OD1 ASN A 13 10.495 -25.720 -12.295 1.00 53.23 O ATOM 194 ND2 ASN A 13 12.566 -25.557 -13.149 1.00 32.53 N ATOM 0 H ASN A 13 12.327 -28.806 -9.472 1.00 50.51 H new ATOM 0 HA ASN A 13 10.108 -27.458 -10.807 1.00 41.33 H new ATOM 0 HB2 ASN A 13 12.717 -26.835 -10.628 1.00 32.20 H new ATOM 0 HB3 ASN A 13 12.822 -27.877 -12.033 1.00 32.20 H new ATOM 0 HD21 ASN A 13 12.300 -24.788 -13.764 1.00 32.53 H new ATOM 0 HD22 ASN A 13 13.524 -25.907 -13.154 1.00 32.53 H new ATOM 201 N PHE A 14 9.717 -30.061 -11.524 1.00 14.11 N ATOM 202 CA PHE A 14 9.310 -31.177 -12.370 1.00 41.21 C ATOM 203 C PHE A 14 8.152 -31.945 -11.739 1.00 3.52 C ATOM 204 O PHE A 14 7.989 -33.142 -11.968 1.00 72.12 O ATOM 205 CB PHE A 14 10.491 -32.119 -12.610 1.00 23.41 C ATOM 206 CG PHE A 14 10.665 -33.149 -11.530 1.00 61.35 C ATOM 207 CD1 PHE A 14 10.611 -32.788 -10.194 1.00 54.41 C ATOM 208 CD2 PHE A 14 10.883 -34.479 -11.852 1.00 65.23 C ATOM 209 CE1 PHE A 14 10.770 -33.733 -9.198 1.00 53.13 C ATOM 210 CE2 PHE A 14 11.043 -35.429 -10.861 1.00 11.10 C ATOM 211 CZ PHE A 14 10.987 -35.055 -9.532 1.00 61.24 C ATOM 0 H PHE A 14 9.217 -30.000 -10.637 1.00 14.11 H new ATOM 0 HA PHE A 14 8.976 -30.773 -13.326 1.00 41.21 H new ATOM 0 HB2 PHE A 14 10.353 -32.625 -13.565 1.00 23.41 H new ATOM 0 HB3 PHE A 14 11.405 -31.530 -12.690 1.00 23.41 H new ATOM 0 HD1 PHE A 14 10.443 -31.755 -9.927 1.00 54.41 H new ATOM 0 HD2 PHE A 14 10.928 -34.777 -12.889 1.00 65.23 H new ATOM 0 HE1 PHE A 14 10.725 -33.438 -8.160 1.00 53.13 H new ATOM 0 HE2 PHE A 14 11.212 -36.463 -11.125 1.00 11.10 H new ATOM 0 HZ PHE A 14 11.113 -35.795 -8.756 1.00 61.24 H new ATOM 221 N GLY A 15 7.351 -31.245 -10.941 1.00 40.21 N ATOM 222 CA GLY A 15 6.219 -31.876 -10.288 1.00 1.00 C ATOM 223 C GLY A 15 5.800 -31.151 -9.025 1.00 2.43 C ATOM 224 O GLY A 15 5.526 -31.778 -8.002 1.00 41.53 O ATOM 0 H GLY A 15 7.466 -30.253 -10.735 1.00 40.21 H new ATOM 0 HA2 GLY A 15 5.377 -31.910 -10.980 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.473 -32.907 -10.044 1.00 1.00 H new ATOM 228 N GLY A 16 5.752 -29.824 -9.094 1.00 51.42 N ATOM 229 CA GLY A 16 5.365 -29.034 -7.940 1.00 15.11 C ATOM 230 C GLY A 16 4.528 -27.827 -8.317 1.00 64.12 C ATOM 231 O GLY A 16 4.364 -27.520 -9.498 1.00 61.52 O ATOM 0 H GLY A 16 5.974 -29.282 -9.929 1.00 51.42 H new ATOM 0 HA2 GLY A 16 4.803 -29.660 -7.247 1.00 15.11 H new ATOM 0 HA3 GLY A 16 6.260 -28.702 -7.414 1.00 15.11 H new ATOM 235 N LYS A 17 3.996 -27.140 -7.312 1.00 23.42 N ATOM 236 CA LYS A 17 3.172 -25.960 -7.543 1.00 34.34 C ATOM 237 C LYS A 17 4.026 -24.697 -7.571 1.00 13.22 C ATOM 238 O LYS A 17 4.747 -24.402 -6.617 1.00 74.15 O ATOM 239 CB LYS A 17 2.101 -25.841 -6.456 1.00 13.41 C ATOM 240 CG LYS A 17 2.667 -25.584 -5.070 1.00 14.10 C ATOM 241 CD LYS A 17 2.536 -24.122 -4.676 1.00 75.21 C ATOM 242 CE LYS A 17 1.079 -23.720 -4.502 1.00 71.31 C ATOM 243 NZ LYS A 17 0.692 -22.622 -5.430 1.00 50.02 N ATOM 0 H LYS A 17 4.121 -27.381 -6.329 1.00 23.42 H new ATOM 0 HA LYS A 17 2.687 -26.070 -8.513 1.00 34.34 H new ATOM 0 HB2 LYS A 17 1.419 -25.032 -6.717 1.00 13.41 H new ATOM 0 HB3 LYS A 17 1.513 -26.759 -6.435 1.00 13.41 H new ATOM 0 HG2 LYS A 17 2.146 -26.206 -4.342 1.00 14.10 H new ATOM 0 HG3 LYS A 17 3.717 -25.876 -5.045 1.00 14.10 H new ATOM 0 HD2 LYS A 17 3.077 -23.945 -3.746 1.00 75.21 H new ATOM 0 HD3 LYS A 17 2.999 -23.496 -5.439 1.00 75.21 H new ATOM 0 HE2 LYS A 17 0.440 -24.586 -4.677 1.00 71.31 H new ATOM 0 HE3 LYS A 17 0.910 -23.402 -3.473 1.00 71.31 H new ATOM 0 HZ1 LYS A 17 -0.303 -22.365 -5.269 1.00 50.02 H new ATOM 0 HZ2 LYS A 17 1.296 -21.793 -5.258 1.00 50.02 H new ATOM 0 HZ3 LYS A 17 0.812 -22.940 -6.413 1.00 50.02 H new ATOM 257 N SER A 18 3.938 -23.953 -8.669 1.00 65.31 N ATOM 258 CA SER A 18 4.705 -22.722 -8.822 1.00 23.41 C ATOM 259 C SER A 18 3.780 -21.530 -9.047 1.00 61.45 C ATOM 260 O SER A 18 2.836 -21.603 -9.834 1.00 40.25 O ATOM 261 CB SER A 18 5.686 -22.849 -9.989 1.00 62.20 C ATOM 262 OG SER A 18 5.067 -22.504 -11.216 1.00 15.22 O ATOM 0 H SER A 18 3.343 -24.181 -9.466 1.00 65.31 H new ATOM 0 HA SER A 18 5.266 -22.556 -7.902 1.00 23.41 H new ATOM 0 HB2 SER A 18 6.546 -22.202 -9.817 1.00 62.20 H new ATOM 0 HB3 SER A 18 6.062 -23.871 -10.042 1.00 62.20 H new ATOM 0 HG SER A 18 5.718 -22.581 -11.944 1.00 15.22 H new ATOM 268 N PHE A 19 4.058 -20.434 -8.351 1.00 1.52 N ATOM 269 CA PHE A 19 3.251 -19.225 -8.473 1.00 61.12 C ATOM 270 C PHE A 19 4.120 -18.026 -8.841 1.00 0.34 C ATOM 271 O PHE A 19 5.206 -17.841 -8.291 1.00 42.12 O ATOM 272 CB PHE A 19 2.507 -18.948 -7.165 1.00 62.50 C ATOM 273 CG PHE A 19 3.272 -19.365 -5.941 1.00 75.11 C ATOM 274 CD1 PHE A 19 3.338 -20.699 -5.570 1.00 51.52 C ATOM 275 CD2 PHE A 19 3.924 -18.424 -5.162 1.00 1.43 C ATOM 276 CE1 PHE A 19 4.040 -21.084 -4.444 1.00 31.31 C ATOM 277 CE2 PHE A 19 4.628 -18.804 -4.035 1.00 1.45 C ATOM 278 CZ PHE A 19 4.687 -20.136 -3.676 1.00 12.11 C ATOM 0 H PHE A 19 4.836 -20.357 -7.696 1.00 1.52 H new ATOM 0 HA PHE A 19 2.524 -19.383 -9.270 1.00 61.12 H new ATOM 0 HB2 PHE A 19 2.286 -17.883 -7.100 1.00 62.50 H new ATOM 0 HB3 PHE A 19 1.551 -19.471 -7.182 1.00 62.50 H new ATOM 0 HD1 PHE A 19 2.835 -21.445 -6.167 1.00 51.52 H new ATOM 0 HD2 PHE A 19 3.882 -17.381 -5.438 1.00 1.43 H new ATOM 0 HE1 PHE A 19 4.083 -22.126 -4.164 1.00 31.31 H new ATOM 0 HE2 PHE A 19 5.131 -18.060 -3.436 1.00 1.45 H new ATOM 0 HZ PHE A 19 5.238 -20.436 -2.797 1.00 12.11 H new ATOM 288 N ASP A 20 3.634 -17.214 -9.773 1.00 71.44 N ATOM 289 CA ASP A 20 4.365 -16.032 -10.215 1.00 33.30 C ATOM 290 C ASP A 20 4.229 -14.900 -9.202 1.00 3.22 C ATOM 291 O ASP A 20 3.849 -15.124 -8.053 1.00 43.20 O ATOM 292 CB ASP A 20 3.856 -15.573 -11.582 1.00 62.35 C ATOM 293 CG ASP A 20 3.591 -16.734 -12.521 1.00 32.12 C ATOM 294 OD1 ASP A 20 4.473 -17.609 -12.647 1.00 62.04 O ATOM 295 OD2 ASP A 20 2.500 -16.768 -13.128 1.00 63.20 O ATOM 0 H ASP A 20 2.736 -17.353 -10.237 1.00 71.44 H new ATOM 0 HA ASP A 20 5.419 -16.297 -10.299 1.00 33.30 H new ATOM 0 HB2 ASP A 20 2.939 -14.999 -11.451 1.00 62.35 H new ATOM 0 HB3 ASP A 20 4.589 -14.904 -12.034 1.00 62.35 H new ATOM 300 N ALA A 21 4.544 -13.684 -9.636 1.00 10.32 N ATOM 301 CA ALA A 21 4.457 -12.516 -8.767 1.00 74.43 C ATOM 302 C ALA A 21 3.014 -12.042 -8.629 1.00 0.20 C ATOM 303 O ALA A 21 2.495 -11.338 -9.496 1.00 14.01 O ATOM 304 CB ALA A 21 5.334 -11.394 -9.301 1.00 65.33 C ATOM 0 H ALA A 21 4.862 -13.482 -10.584 1.00 10.32 H new ATOM 0 HA ALA A 21 4.815 -12.802 -7.778 1.00 74.43 H new ATOM 0 HB1 ALA A 21 5.259 -10.529 -8.642 1.00 65.33 H new ATOM 0 HB2 ALA A 21 6.370 -11.730 -9.342 1.00 65.33 H new ATOM 0 HB3 ALA A 21 5.002 -11.118 -10.302 1.00 65.33 H new ATOM 310 N THR A 22 2.370 -12.432 -7.533 1.00 51.13 N ATOM 311 CA THR A 22 0.986 -12.048 -7.283 1.00 5.15 C ATOM 312 C THR A 22 0.496 -12.599 -5.949 1.00 21.15 C ATOM 313 O THR A 22 1.233 -13.286 -5.241 1.00 43.50 O ATOM 314 CB THR A 22 0.054 -12.543 -8.404 1.00 32.52 C ATOM 315 OG1 THR A 22 0.724 -13.527 -9.200 1.00 3.02 O ATOM 316 CG2 THR A 22 -0.393 -11.388 -9.286 1.00 43.25 C ATOM 0 H THR A 22 2.785 -13.013 -6.805 1.00 51.13 H new ATOM 0 HA THR A 22 0.960 -10.959 -7.255 1.00 5.15 H new ATOM 0 HB THR A 22 -0.827 -12.989 -7.943 1.00 32.52 H new ATOM 0 HG1 THR A 22 0.124 -13.838 -9.910 1.00 3.02 H new ATOM 0 HG21 THR A 22 -1.050 -11.763 -10.071 1.00 43.25 H new ATOM 0 HG22 THR A 22 -0.929 -10.656 -8.682 1.00 43.25 H new ATOM 0 HG23 THR A 22 0.480 -10.917 -9.738 1.00 43.25 H new ATOM 324 N SER A 23 -0.753 -12.295 -5.611 1.00 0.20 N ATOM 325 CA SER A 23 -1.341 -12.758 -4.359 1.00 41.34 C ATOM 326 C SER A 23 -1.468 -14.278 -4.348 1.00 65.13 C ATOM 327 O SER A 23 -2.471 -14.832 -4.797 1.00 54.30 O ATOM 328 CB SER A 23 -2.715 -12.119 -4.150 1.00 10.42 C ATOM 329 OG SER A 23 -2.606 -10.715 -3.990 1.00 4.13 O ATOM 0 H SER A 23 -1.377 -11.730 -6.187 1.00 0.20 H new ATOM 0 HA SER A 23 -0.681 -12.460 -3.544 1.00 41.34 H new ATOM 0 HB2 SER A 23 -3.357 -12.342 -5.002 1.00 10.42 H new ATOM 0 HB3 SER A 23 -3.191 -12.552 -3.270 1.00 10.42 H new ATOM 0 HG SER A 23 -3.498 -10.330 -3.860 1.00 4.13 H new ATOM 335 N ASP A 24 -0.442 -14.947 -3.832 1.00 52.24 N ATOM 336 CA ASP A 24 -0.438 -16.403 -3.761 1.00 65.40 C ATOM 337 C ASP A 24 0.187 -16.881 -2.454 1.00 64.41 C ATOM 338 O ASP A 24 -0.519 -17.260 -1.520 1.00 61.22 O ATOM 339 CB ASP A 24 0.324 -16.991 -4.950 1.00 23.10 C ATOM 340 CG ASP A 24 -0.539 -17.107 -6.191 1.00 32.13 C ATOM 341 OD1 ASP A 24 -1.287 -18.101 -6.302 1.00 55.15 O ATOM 342 OD2 ASP A 24 -0.467 -16.204 -7.049 1.00 54.45 O ATOM 0 H ASP A 24 0.397 -14.504 -3.457 1.00 52.24 H new ATOM 0 HA ASP A 24 -1.472 -16.747 -3.796 1.00 65.40 H new ATOM 0 HB2 ASP A 24 1.188 -16.364 -5.170 1.00 23.10 H new ATOM 0 HB3 ASP A 24 0.705 -17.977 -4.682 1.00 23.10 H new ATOM 347 N GLN A 25 1.515 -16.862 -2.397 1.00 1.51 N ATOM 348 CA GLN A 25 2.234 -17.295 -1.205 1.00 4.22 C ATOM 349 C GLN A 25 3.592 -16.606 -1.108 1.00 33.14 C ATOM 350 O GLN A 25 4.644 -17.234 -1.231 1.00 12.51 O ATOM 351 CB GLN A 25 2.420 -18.813 -1.219 1.00 34.21 C ATOM 352 CG GLN A 25 1.117 -19.586 -1.090 1.00 21.24 C ATOM 353 CD GLN A 25 0.376 -19.271 0.195 1.00 5.01 C ATOM 354 OE1 GLN A 25 0.947 -18.715 1.134 1.00 63.01 O ATOM 355 NE2 GLN A 25 -0.902 -19.625 0.244 1.00 74.14 N ATOM 0 H GLN A 25 2.114 -16.552 -3.162 1.00 1.51 H new ATOM 0 HA GLN A 25 1.642 -17.016 -0.333 1.00 4.22 H new ATOM 0 HB2 GLN A 25 2.914 -19.102 -2.147 1.00 34.21 H new ATOM 0 HB3 GLN A 25 3.084 -19.097 -0.403 1.00 34.21 H new ATOM 0 HG2 GLN A 25 0.476 -19.355 -1.941 1.00 21.24 H new ATOM 0 HG3 GLN A 25 1.327 -20.655 -1.131 1.00 21.24 H new ATOM 0 HE21 GLN A 25 -1.335 -20.084 -0.557 1.00 74.14 H new ATOM 0 HE22 GLN A 25 -1.451 -19.438 1.083 1.00 74.14 H new ATOM 364 N PRO A 26 3.570 -15.284 -0.882 1.00 21.14 N ATOM 365 CA PRO A 26 4.791 -14.481 -0.763 1.00 31.33 C ATOM 366 C PRO A 26 5.351 -14.484 0.656 1.00 72.33 C ATOM 367 O PRO A 26 5.305 -13.472 1.354 1.00 71.42 O ATOM 368 CB PRO A 26 4.330 -13.075 -1.153 1.00 12.35 C ATOM 369 CG PRO A 26 2.855 -13.089 -0.946 1.00 15.24 C ATOM 370 CD PRO A 26 2.352 -14.471 -0.724 1.00 63.41 C ATOM 0 HA PRO A 26 5.596 -14.869 -1.387 1.00 31.33 H new ATOM 0 HB2 PRO A 26 4.809 -12.316 -0.535 1.00 12.35 H new ATOM 0 HB3 PRO A 26 4.582 -12.849 -2.189 1.00 12.35 H new ATOM 0 HG2 PRO A 26 2.600 -12.465 -0.089 1.00 15.24 H new ATOM 0 HG3 PRO A 26 2.360 -12.655 -1.815 1.00 15.24 H new ATOM 0 HD2 PRO A 26 1.912 -14.588 0.266 1.00 63.41 H new ATOM 0 HD3 PRO A 26 1.585 -14.745 -1.448 1.00 63.41 H new ATOM 378 N GLY A 27 5.880 -15.629 1.076 1.00 62.52 N ATOM 379 CA GLY A 27 6.442 -15.742 2.409 1.00 32.02 C ATOM 380 C GLY A 27 6.613 -17.183 2.846 1.00 24.23 C ATOM 381 O GLY A 27 5.632 -17.892 3.069 1.00 65.21 O ATOM 0 H GLY A 27 5.929 -16.481 0.517 1.00 62.52 H new ATOM 0 HA2 GLY A 27 7.409 -15.240 2.436 1.00 32.02 H new ATOM 0 HA3 GLY A 27 5.795 -15.225 3.118 1.00 32.02 H new ATOM 385 N ALA A 28 7.863 -17.618 2.968 1.00 22.30 N ATOM 386 CA ALA A 28 8.160 -18.984 3.382 1.00 72.25 C ATOM 387 C ALA A 28 8.317 -19.078 4.895 1.00 14.34 C ATOM 388 O ALA A 28 9.128 -18.370 5.490 1.00 10.52 O ATOM 389 CB ALA A 28 9.418 -19.485 2.687 1.00 54.42 C ATOM 0 H ALA A 28 8.686 -17.044 2.786 1.00 22.30 H new ATOM 0 HA ALA A 28 7.321 -19.615 3.090 1.00 72.25 H new ATOM 0 HB1 ALA A 28 9.628 -20.506 3.006 1.00 54.42 H new ATOM 0 HB2 ALA A 28 9.270 -19.465 1.607 1.00 54.42 H new ATOM 0 HB3 ALA A 28 10.259 -18.843 2.950 1.00 54.42 H new ATOM 395 N GLY A 29 7.534 -19.956 5.514 1.00 74.50 N ATOM 396 CA GLY A 29 7.601 -20.125 6.954 1.00 72.42 C ATOM 397 C GLY A 29 7.411 -21.568 7.378 1.00 61.33 C ATOM 398 O GLY A 29 8.277 -22.149 8.032 1.00 1.04 O ATOM 0 H GLY A 29 6.854 -20.554 5.044 1.00 74.50 H new ATOM 0 HA2 GLY A 29 8.566 -19.768 7.314 1.00 72.42 H new ATOM 0 HA3 GLY A 29 6.836 -19.507 7.425 1.00 72.42 H new ATOM 402 N ASP A 30 6.275 -22.148 7.006 1.00 63.14 N ATOM 403 CA ASP A 30 5.974 -23.532 7.352 1.00 61.30 C ATOM 404 C ASP A 30 6.838 -24.495 6.543 1.00 21.15 C ATOM 405 O ASP A 30 6.391 -25.055 5.544 1.00 62.25 O ATOM 406 CB ASP A 30 4.494 -23.830 7.110 1.00 34.33 C ATOM 407 CG ASP A 30 4.003 -25.016 7.917 1.00 35.12 C ATOM 408 OD1 ASP A 30 4.466 -25.186 9.065 1.00 60.45 O ATOM 409 OD2 ASP A 30 3.154 -25.773 7.402 1.00 60.41 O ATOM 0 H ASP A 30 5.547 -21.681 6.465 1.00 63.14 H new ATOM 0 HA ASP A 30 6.197 -23.673 8.410 1.00 61.30 H new ATOM 0 HB2 ASP A 30 3.903 -22.951 7.365 1.00 34.33 H new ATOM 0 HB3 ASP A 30 4.334 -24.025 6.049 1.00 34.33 H new ATOM 414 N ASN A 31 8.078 -24.681 6.984 1.00 63.44 N ATOM 415 CA ASN A 31 9.006 -25.575 6.300 1.00 71.22 C ATOM 416 C ASN A 31 9.649 -26.548 7.283 1.00 34.44 C ATOM 417 O ASN A 31 9.236 -26.642 8.440 1.00 4.24 O ATOM 418 CB ASN A 31 10.089 -24.768 5.582 1.00 4.22 C ATOM 419 CG ASN A 31 10.231 -25.159 4.124 1.00 43.32 C ATOM 420 OD1 ASN A 31 10.651 -26.271 3.806 1.00 64.41 O ATOM 421 ND2 ASN A 31 9.881 -24.242 3.229 1.00 33.20 N ATOM 0 H ASN A 31 8.463 -24.225 7.811 1.00 63.44 H new ATOM 0 HA ASN A 31 8.442 -26.149 5.564 1.00 71.22 H new ATOM 0 HB2 ASN A 31 9.851 -23.706 5.649 1.00 4.22 H new ATOM 0 HB3 ASN A 31 11.043 -24.914 6.089 1.00 4.22 H new ATOM 0 HD21 ASN A 31 9.956 -24.447 2.233 1.00 33.20 H new ATOM 0 HD22 ASN A 31 9.538 -23.333 3.538 1.00 33.20 H new ATOM 428 N LEU A 32 10.661 -27.271 6.816 1.00 12.22 N ATOM 429 CA LEU A 32 11.362 -28.237 7.654 1.00 21.14 C ATOM 430 C LEU A 32 12.644 -28.715 6.979 1.00 12.41 C ATOM 431 O LEU A 32 13.074 -28.152 5.973 1.00 12.24 O ATOM 432 CB LEU A 32 10.456 -29.432 7.957 1.00 0.21 C ATOM 433 CG LEU A 32 10.536 -29.992 9.378 1.00 53.33 C ATOM 434 CD1 LEU A 32 9.485 -29.345 10.266 1.00 14.22 C ATOM 435 CD2 LEU A 32 10.369 -31.504 9.365 1.00 35.11 C ATOM 0 H LEU A 32 11.014 -27.206 5.861 1.00 12.22 H new ATOM 0 HA LEU A 32 11.628 -27.744 8.589 1.00 21.14 H new ATOM 0 HB2 LEU A 32 9.425 -29.139 7.761 1.00 0.21 H new ATOM 0 HB3 LEU A 32 10.699 -30.233 7.258 1.00 0.21 H new ATOM 0 HG LEU A 32 11.520 -29.759 9.786 1.00 53.33 H new ATOM 0 HD11 LEU A 32 9.557 -29.756 11.273 1.00 14.22 H new ATOM 0 HD12 LEU A 32 9.651 -28.268 10.300 1.00 14.22 H new ATOM 0 HD13 LEU A 32 8.493 -29.547 9.862 1.00 14.22 H new ATOM 0 HD21 LEU A 32 10.429 -31.885 10.384 1.00 35.11 H new ATOM 0 HD22 LEU A 32 9.399 -31.759 8.938 1.00 35.11 H new ATOM 0 HD23 LEU A 32 11.160 -31.952 8.763 1.00 35.11 H new ATOM 447 N ASN A 33 13.248 -29.758 7.539 1.00 40.23 N ATOM 448 CA ASN A 33 14.480 -30.313 6.990 1.00 51.45 C ATOM 449 C ASN A 33 14.310 -30.659 5.514 1.00 72.25 C ATOM 450 O ASN A 33 15.275 -30.654 4.749 1.00 54.52 O ATOM 451 CB ASN A 33 14.896 -31.559 7.773 1.00 22.20 C ATOM 452 CG ASN A 33 14.185 -32.809 7.292 1.00 53.14 C ATOM 453 OD1 ASN A 33 12.956 -32.849 7.220 1.00 43.31 O ATOM 454 ND2 ASN A 33 14.956 -33.838 6.959 1.00 11.41 N ATOM 0 H ASN A 33 12.905 -30.236 8.372 1.00 40.23 H new ATOM 0 HA ASN A 33 15.261 -29.558 7.080 1.00 51.45 H new ATOM 0 HB2 ASN A 33 15.973 -31.699 7.682 1.00 22.20 H new ATOM 0 HB3 ASN A 33 14.683 -31.408 8.831 1.00 22.20 H new ATOM 0 HD21 ASN A 33 14.534 -34.705 6.628 1.00 11.41 H new ATOM 0 HD22 ASN A 33 15.970 -33.761 7.034 1.00 11.41 H new ATOM 461 N ASP A 34 13.077 -30.960 5.121 1.00 41.15 N ATOM 462 CA ASP A 34 12.779 -31.308 3.736 1.00 44.51 C ATOM 463 C ASP A 34 12.602 -30.053 2.887 1.00 41.33 C ATOM 464 O ASP A 34 11.549 -29.841 2.284 1.00 5.02 O ATOM 465 CB ASP A 34 11.518 -32.169 3.664 1.00 71.51 C ATOM 466 CG ASP A 34 11.802 -33.634 3.933 1.00 75.32 C ATOM 467 OD1 ASP A 34 12.382 -34.298 3.048 1.00 13.24 O ATOM 468 OD2 ASP A 34 11.442 -34.117 5.027 1.00 25.42 O ATOM 0 H ASP A 34 12.268 -30.970 5.742 1.00 41.15 H new ATOM 0 HA ASP A 34 13.621 -31.877 3.341 1.00 44.51 H new ATOM 0 HB2 ASP A 34 10.790 -31.804 4.389 1.00 71.51 H new ATOM 0 HB3 ASP A 34 11.066 -32.065 2.678 1.00 71.51 H new ATOM 473 N LYS A 35 13.638 -29.222 2.844 1.00 64.21 N ATOM 474 CA LYS A 35 13.599 -27.988 2.069 1.00 52.21 C ATOM 475 C LYS A 35 14.176 -28.203 0.674 1.00 44.44 C ATOM 476 O LYS A 35 15.394 -28.254 0.497 1.00 20.52 O ATOM 477 CB LYS A 35 14.376 -26.884 2.790 1.00 52.23 C ATOM 478 CG LYS A 35 14.590 -25.640 1.945 1.00 41.12 C ATOM 479 CD LYS A 35 13.271 -24.983 1.575 1.00 11.32 C ATOM 480 CE LYS A 35 12.895 -25.261 0.128 1.00 65.51 C ATOM 481 NZ LYS A 35 11.557 -25.906 0.016 1.00 5.42 N ATOM 0 H LYS A 35 14.516 -29.381 3.338 1.00 64.21 H new ATOM 0 HA LYS A 35 12.557 -27.684 1.969 1.00 52.21 H new ATOM 0 HB2 LYS A 35 13.841 -26.608 3.698 1.00 52.23 H new ATOM 0 HB3 LYS A 35 15.346 -27.275 3.098 1.00 52.23 H new ATOM 0 HG2 LYS A 35 15.210 -24.930 2.492 1.00 41.12 H new ATOM 0 HG3 LYS A 35 15.133 -25.905 1.038 1.00 41.12 H new ATOM 0 HD2 LYS A 35 12.484 -25.350 2.233 1.00 11.32 H new ATOM 0 HD3 LYS A 35 13.343 -23.907 1.733 1.00 11.32 H new ATOM 0 HE2 LYS A 35 12.896 -24.327 -0.433 1.00 65.51 H new ATOM 0 HE3 LYS A 35 13.648 -25.906 -0.325 1.00 65.51 H new ATOM 0 HZ1 LYS A 35 11.552 -26.556 -0.795 1.00 5.42 H new ATOM 0 HZ2 LYS A 35 11.354 -26.437 0.887 1.00 5.42 H new ATOM 0 HZ3 LYS A 35 10.830 -25.175 -0.122 1.00 5.42 H new ATOM 495 N ILE A 36 13.296 -28.325 -0.314 1.00 31.32 N ATOM 496 CA ILE A 36 13.719 -28.532 -1.693 1.00 44.52 C ATOM 497 C ILE A 36 12.742 -27.888 -2.671 1.00 12.15 C ATOM 498 O ILE A 36 11.604 -28.336 -2.812 1.00 62.12 O ATOM 499 CB ILE A 36 13.848 -30.030 -2.025 1.00 35.14 C ATOM 500 CG1 ILE A 36 12.653 -30.803 -1.463 1.00 14.03 C ATOM 501 CG2 ILE A 36 15.152 -30.585 -1.472 1.00 33.21 C ATOM 502 CD1 ILE A 36 12.865 -31.300 -0.050 1.00 32.11 C ATOM 0 H ILE A 36 12.285 -28.284 -0.185 1.00 31.32 H new ATOM 0 HA ILE A 36 14.696 -28.061 -1.796 1.00 44.52 H new ATOM 0 HB ILE A 36 13.857 -30.148 -3.109 1.00 35.14 H new ATOM 0 HG12 ILE A 36 11.772 -30.161 -1.485 1.00 14.03 H new ATOM 0 HG13 ILE A 36 12.444 -31.654 -2.111 1.00 14.03 H new ATOM 0 HG21 ILE A 36 15.228 -31.645 -1.715 1.00 33.21 H new ATOM 0 HG22 ILE A 36 15.992 -30.050 -1.915 1.00 33.21 H new ATOM 0 HG23 ILE A 36 15.171 -30.459 -0.390 1.00 33.21 H new ATOM 0 HD11 ILE A 36 11.978 -31.839 0.283 1.00 32.11 H new ATOM 0 HD12 ILE A 36 13.726 -31.968 -0.025 1.00 32.11 H new ATOM 0 HD13 ILE A 36 13.044 -30.452 0.611 1.00 32.11 H new ATOM 514 N SER A 37 13.194 -26.835 -3.344 1.00 51.02 N ATOM 515 CA SER A 37 12.359 -26.128 -4.308 1.00 15.23 C ATOM 516 C SER A 37 13.196 -25.176 -5.157 1.00 35.01 C ATOM 517 O SER A 37 14.424 -25.251 -5.165 1.00 62.33 O ATOM 518 CB SER A 37 11.257 -25.350 -3.585 1.00 52.13 C ATOM 519 OG SER A 37 11.759 -24.142 -3.040 1.00 31.21 O ATOM 0 H SER A 37 14.134 -26.453 -3.240 1.00 51.02 H new ATOM 0 HA SER A 37 11.901 -26.867 -4.966 1.00 15.23 H new ATOM 0 HB2 SER A 37 10.447 -25.130 -4.280 1.00 52.13 H new ATOM 0 HB3 SER A 37 10.836 -25.964 -2.789 1.00 52.13 H new ATOM 0 HG SER A 37 11.114 -23.421 -3.194 1.00 31.21 H new ATOM 525 N SER A 38 12.520 -24.281 -5.871 1.00 5.44 N ATOM 526 CA SER A 38 13.200 -23.316 -6.727 1.00 4.21 C ATOM 527 C SER A 38 12.929 -21.889 -6.260 1.00 13.00 C ATOM 528 O SER A 38 11.956 -21.631 -5.550 1.00 72.35 O ATOM 529 CB SER A 38 12.749 -23.484 -8.179 1.00 41.10 C ATOM 530 OG SER A 38 12.778 -22.246 -8.869 1.00 32.25 O ATOM 0 H SER A 38 11.503 -24.204 -5.874 1.00 5.44 H new ATOM 0 HA SER A 38 14.272 -23.503 -6.663 1.00 4.21 H new ATOM 0 HB2 SER A 38 13.397 -24.200 -8.684 1.00 41.10 H new ATOM 0 HB3 SER A 38 11.740 -23.894 -8.204 1.00 41.10 H new ATOM 0 HG SER A 38 13.708 -21.976 -9.018 1.00 32.25 H new ATOM 536 N ILE A 39 13.795 -20.966 -6.663 1.00 64.23 N ATOM 537 CA ILE A 39 13.649 -19.565 -6.288 1.00 21.43 C ATOM 538 C ILE A 39 13.979 -18.645 -7.458 1.00 21.10 C ATOM 539 O ILE A 39 14.911 -18.902 -8.221 1.00 10.54 O ATOM 540 CB ILE A 39 14.554 -19.205 -5.095 1.00 0.02 C ATOM 541 CG1 ILE A 39 13.711 -18.709 -3.919 1.00 14.54 C ATOM 542 CG2 ILE A 39 15.575 -18.153 -5.503 1.00 34.10 C ATOM 543 CD1 ILE A 39 13.003 -17.400 -4.192 1.00 44.30 C ATOM 0 H ILE A 39 14.606 -21.163 -7.250 1.00 64.23 H new ATOM 0 HA ILE A 39 12.607 -19.422 -6.000 1.00 21.43 H new ATOM 0 HB ILE A 39 15.090 -20.101 -4.781 1.00 0.02 H new ATOM 0 HG12 ILE A 39 12.970 -19.468 -3.668 1.00 14.54 H new ATOM 0 HG13 ILE A 39 14.354 -18.590 -3.047 1.00 14.54 H new ATOM 0 HG21 ILE A 39 16.207 -17.909 -4.649 1.00 34.10 H new ATOM 0 HG22 ILE A 39 16.193 -18.541 -6.313 1.00 34.10 H new ATOM 0 HG23 ILE A 39 15.057 -17.255 -5.839 1.00 34.10 H new ATOM 0 HD11 ILE A 39 12.425 -17.109 -3.315 1.00 44.30 H new ATOM 0 HD12 ILE A 39 13.739 -16.627 -4.413 1.00 44.30 H new ATOM 0 HD13 ILE A 39 12.334 -17.519 -5.045 1.00 44.30 H new ATOM 555 N LYS A 40 13.210 -17.570 -7.594 1.00 34.45 N ATOM 556 CA LYS A 40 13.421 -16.608 -8.669 1.00 33.34 C ATOM 557 C LYS A 40 12.970 -15.213 -8.247 1.00 32.52 C ATOM 558 O LYS A 40 12.026 -15.063 -7.471 1.00 72.40 O ATOM 559 CB LYS A 40 12.663 -17.042 -9.925 1.00 70.54 C ATOM 560 CG LYS A 40 12.983 -16.202 -11.149 1.00 62.14 C ATOM 561 CD LYS A 40 12.027 -16.496 -12.293 1.00 52.31 C ATOM 562 CE LYS A 40 12.723 -16.396 -13.642 1.00 24.44 C ATOM 563 NZ LYS A 40 12.531 -17.628 -14.457 1.00 44.40 N ATOM 0 H LYS A 40 12.434 -17.343 -6.972 1.00 34.45 H new ATOM 0 HA LYS A 40 14.488 -16.575 -8.889 1.00 33.34 H new ATOM 0 HB2 LYS A 40 12.898 -18.085 -10.139 1.00 70.54 H new ATOM 0 HB3 LYS A 40 11.592 -16.990 -9.729 1.00 70.54 H new ATOM 0 HG2 LYS A 40 12.928 -15.145 -10.890 1.00 62.14 H new ATOM 0 HG3 LYS A 40 14.006 -16.399 -11.469 1.00 62.14 H new ATOM 0 HD2 LYS A 40 11.609 -17.495 -12.171 1.00 52.31 H new ATOM 0 HD3 LYS A 40 11.193 -15.795 -12.260 1.00 52.31 H new ATOM 0 HE2 LYS A 40 12.336 -15.535 -14.188 1.00 24.44 H new ATOM 0 HE3 LYS A 40 13.788 -16.224 -13.489 1.00 24.44 H new ATOM 0 HZ1 LYS A 40 13.304 -17.712 -15.147 1.00 44.40 H new ATOM 0 HZ2 LYS A 40 12.532 -18.460 -13.833 1.00 44.40 H new ATOM 0 HZ3 LYS A 40 11.622 -17.573 -14.960 1.00 44.40 H new ATOM 577 N VAL A 41 13.650 -14.195 -8.764 1.00 31.01 N ATOM 578 CA VAL A 41 13.317 -12.812 -8.443 1.00 24.22 C ATOM 579 C VAL A 41 13.327 -11.940 -9.693 1.00 61.12 C ATOM 580 O VAL A 41 14.275 -11.971 -10.478 1.00 5.51 O ATOM 581 CB VAL A 41 14.299 -12.224 -7.412 1.00 41.32 C ATOM 582 CG1 VAL A 41 15.736 -12.420 -7.871 1.00 1.04 C ATOM 583 CG2 VAL A 41 14.003 -10.751 -7.176 1.00 12.55 C ATOM 0 H VAL A 41 14.435 -14.302 -9.407 1.00 31.01 H new ATOM 0 HA VAL A 41 12.314 -12.818 -8.016 1.00 24.22 H new ATOM 0 HB VAL A 41 14.169 -12.754 -6.468 1.00 41.32 H new ATOM 0 HG11 VAL A 41 16.415 -11.998 -7.130 1.00 1.04 H new ATOM 0 HG12 VAL A 41 15.939 -13.485 -7.985 1.00 1.04 H new ATOM 0 HG13 VAL A 41 15.884 -11.918 -8.827 1.00 1.04 H new ATOM 0 HG21 VAL A 41 14.706 -10.351 -6.445 1.00 12.55 H new ATOM 0 HG22 VAL A 41 14.105 -10.205 -8.114 1.00 12.55 H new ATOM 0 HG23 VAL A 41 12.986 -10.640 -6.800 1.00 12.55 H new ATOM 593 N LYS A 42 12.265 -11.162 -9.873 1.00 63.04 N ATOM 594 CA LYS A 42 12.151 -10.279 -11.028 1.00 15.54 C ATOM 595 C LYS A 42 11.903 -8.839 -10.588 1.00 55.04 C ATOM 596 O LYS A 42 11.120 -8.118 -11.206 1.00 54.44 O ATOM 597 CB LYS A 42 11.017 -10.746 -11.943 1.00 33.10 C ATOM 598 CG LYS A 42 11.332 -10.607 -13.422 1.00 43.51 C ATOM 599 CD LYS A 42 11.075 -9.193 -13.916 1.00 51.22 C ATOM 600 CE LYS A 42 12.341 -8.351 -13.881 1.00 42.11 C ATOM 601 NZ LYS A 42 13.329 -8.791 -14.905 1.00 74.31 N ATOM 0 H LYS A 42 11.471 -11.125 -9.234 1.00 63.04 H new ATOM 0 HA LYS A 42 13.092 -10.317 -11.578 1.00 15.54 H new ATOM 0 HB2 LYS A 42 10.792 -11.790 -11.725 1.00 33.10 H new ATOM 0 HB3 LYS A 42 10.119 -10.172 -11.716 1.00 33.10 H new ATOM 0 HG2 LYS A 42 12.374 -10.872 -13.599 1.00 43.51 H new ATOM 0 HG3 LYS A 42 10.723 -11.309 -13.992 1.00 43.51 H new ATOM 0 HD2 LYS A 42 10.688 -9.227 -14.934 1.00 51.22 H new ATOM 0 HD3 LYS A 42 10.308 -8.725 -13.299 1.00 51.22 H new ATOM 0 HE2 LYS A 42 12.086 -7.305 -14.049 1.00 42.11 H new ATOM 0 HE3 LYS A 42 12.792 -8.414 -12.891 1.00 42.11 H new ATOM 0 HZ1 LYS A 42 13.985 -8.011 -15.113 1.00 74.31 H new ATOM 0 HZ2 LYS A 42 13.864 -9.606 -14.543 1.00 74.31 H new ATOM 0 HZ3 LYS A 42 12.829 -9.064 -15.775 1.00 74.31 H new ATOM 615 N SER A 43 12.575 -8.427 -9.519 1.00 24.24 N ATOM 616 CA SER A 43 12.426 -7.074 -8.996 1.00 30.23 C ATOM 617 C SER A 43 13.281 -6.876 -7.748 1.00 23.51 C ATOM 618 O SER A 43 13.003 -7.447 -6.694 1.00 40.10 O ATOM 619 CB SER A 43 10.958 -6.789 -8.672 1.00 41.01 C ATOM 620 OG SER A 43 10.350 -6.021 -9.696 1.00 60.11 O ATOM 0 H SER A 43 13.229 -9.011 -8.997 1.00 24.24 H new ATOM 0 HA SER A 43 12.765 -6.376 -9.762 1.00 30.23 H new ATOM 0 HB2 SER A 43 10.420 -7.729 -8.550 1.00 41.01 H new ATOM 0 HB3 SER A 43 10.888 -6.256 -7.724 1.00 41.01 H new ATOM 0 HG SER A 43 10.422 -6.498 -10.549 1.00 60.11 H new ATOM 626 N GLY A 44 14.325 -6.063 -7.876 1.00 41.22 N ATOM 627 CA GLY A 44 15.206 -5.804 -6.752 1.00 41.55 C ATOM 628 C GLY A 44 16.007 -7.026 -6.349 1.00 54.02 C ATOM 629 O GLY A 44 16.356 -7.855 -7.191 1.00 3.55 O ATOM 0 H GLY A 44 14.577 -5.579 -8.738 1.00 41.22 H new ATOM 0 HA2 GLY A 44 15.889 -4.994 -7.009 1.00 41.55 H new ATOM 0 HA3 GLY A 44 14.615 -5.464 -5.902 1.00 41.55 H new ATOM 633 N THR A 45 16.300 -7.140 -5.057 1.00 40.35 N ATOM 634 CA THR A 45 17.067 -8.268 -4.544 1.00 51.14 C ATOM 635 C THR A 45 16.679 -8.587 -3.105 1.00 44.10 C ATOM 636 O THR A 45 16.324 -7.694 -2.336 1.00 20.13 O ATOM 637 CB THR A 45 18.581 -7.993 -4.608 1.00 22.05 C ATOM 638 OG1 THR A 45 18.917 -6.899 -3.746 1.00 71.43 O ATOM 639 CG2 THR A 45 19.015 -7.676 -6.031 1.00 13.02 C ATOM 0 H THR A 45 16.017 -6.464 -4.347 1.00 40.35 H new ATOM 0 HA THR A 45 16.834 -9.124 -5.178 1.00 51.14 H new ATOM 0 HB THR A 45 19.105 -8.890 -4.278 1.00 22.05 H new ATOM 0 HG1 THR A 45 19.882 -6.731 -3.791 1.00 71.43 H new ATOM 0 HG21 THR A 45 20.088 -7.485 -6.050 1.00 13.02 H new ATOM 0 HG22 THR A 45 18.785 -8.522 -6.679 1.00 13.02 H new ATOM 0 HG23 THR A 45 18.483 -6.793 -6.385 1.00 13.02 H new ATOM 647 N TRP A 46 16.751 -9.864 -2.748 1.00 11.14 N ATOM 648 CA TRP A 46 16.408 -10.300 -1.399 1.00 33.13 C ATOM 649 C TRP A 46 17.612 -10.929 -0.707 1.00 3.41 C ATOM 650 O TRP A 46 18.668 -11.102 -1.316 1.00 23.35 O ATOM 651 CB TRP A 46 15.251 -11.299 -1.443 1.00 35.34 C ATOM 652 CG TRP A 46 14.202 -10.949 -2.455 1.00 33.55 C ATOM 653 CD1 TRP A 46 13.699 -9.707 -2.718 1.00 63.22 C ATOM 654 CD2 TRP A 46 13.526 -11.853 -3.336 1.00 30.11 C ATOM 655 NE1 TRP A 46 12.752 -9.784 -3.710 1.00 72.24 N ATOM 656 CE2 TRP A 46 12.628 -11.089 -4.107 1.00 33.52 C ATOM 657 CE3 TRP A 46 13.594 -13.232 -3.550 1.00 73.24 C ATOM 658 CZ2 TRP A 46 11.805 -11.661 -5.073 1.00 74.04 C ATOM 659 CZ3 TRP A 46 12.776 -13.798 -4.510 1.00 31.00 C ATOM 660 CH2 TRP A 46 11.892 -13.014 -5.262 1.00 54.53 C ATOM 0 H TRP A 46 17.043 -10.615 -3.373 1.00 11.14 H new ATOM 0 HA TRP A 46 16.101 -9.424 -0.828 1.00 33.13 H new ATOM 0 HB2 TRP A 46 15.645 -12.290 -1.667 1.00 35.34 H new ATOM 0 HB3 TRP A 46 14.790 -11.354 -0.457 1.00 35.34 H new ATOM 0 HD1 TRP A 46 14.001 -8.798 -2.219 1.00 63.22 H new ATOM 0 HE1 TRP A 46 12.226 -8.997 -4.090 1.00 72.24 H new ATOM 0 HE3 TRP A 46 14.273 -13.845 -2.976 1.00 73.24 H new ATOM 0 HZ2 TRP A 46 11.122 -11.058 -5.653 1.00 74.04 H new ATOM 0 HZ3 TRP A 46 12.819 -14.863 -4.683 1.00 31.00 H new ATOM 0 HH2 TRP A 46 11.267 -13.486 -6.005 1.00 54.53 H new ATOM 671 N ARG A 47 17.447 -11.268 0.567 1.00 1.24 N ATOM 672 CA ARG A 47 18.522 -11.876 1.342 1.00 62.34 C ATOM 673 C ARG A 47 18.072 -13.202 1.948 1.00 23.21 C ATOM 674 O ARG A 47 17.025 -13.279 2.590 1.00 34.43 O ATOM 675 CB ARG A 47 18.983 -10.927 2.449 1.00 15.32 C ATOM 676 CG ARG A 47 19.567 -9.623 1.930 1.00 64.40 C ATOM 677 CD ARG A 47 18.558 -8.489 2.010 1.00 0.12 C ATOM 678 NE ARG A 47 19.195 -7.211 2.317 1.00 55.31 N ATOM 679 CZ ARG A 47 18.532 -6.146 2.754 1.00 54.33 C ATOM 680 NH1 ARG A 47 17.220 -6.206 2.935 1.00 55.33 N ATOM 681 NH2 ARG A 47 19.181 -5.018 3.011 1.00 4.31 N ATOM 0 H ARG A 47 16.579 -11.132 1.085 1.00 1.24 H new ATOM 0 HA ARG A 47 19.357 -12.069 0.668 1.00 62.34 H new ATOM 0 HB2 ARG A 47 18.137 -10.703 3.099 1.00 15.32 H new ATOM 0 HB3 ARG A 47 19.731 -11.432 3.061 1.00 15.32 H new ATOM 0 HG2 ARG A 47 20.453 -9.364 2.509 1.00 64.40 H new ATOM 0 HG3 ARG A 47 19.888 -9.753 0.897 1.00 64.40 H new ATOM 0 HD2 ARG A 47 18.025 -8.410 1.062 1.00 0.12 H new ATOM 0 HD3 ARG A 47 17.816 -8.717 2.775 1.00 0.12 H new ATOM 0 HE ARG A 47 20.204 -7.132 2.189 1.00 55.31 H new ATOM 0 HH11 ARG A 47 16.717 -7.071 2.739 1.00 55.33 H new ATOM 0 HH12 ARG A 47 16.713 -5.387 3.271 1.00 55.33 H new ATOM 0 HH21 ARG A 47 20.190 -4.968 2.873 1.00 4.31 H new ATOM 0 HH22 ARG A 47 18.671 -4.201 3.346 1.00 4.31 H new ATOM 695 N PHE A 48 18.871 -14.244 1.739 1.00 12.34 N ATOM 696 CA PHE A 48 18.554 -15.567 2.264 1.00 3.00 C ATOM 697 C PHE A 48 19.566 -15.987 3.326 1.00 31.14 C ATOM 698 O PHE A 48 20.775 -15.939 3.101 1.00 4.42 O ATOM 699 CB PHE A 48 18.530 -16.596 1.131 1.00 3.54 C ATOM 700 CG PHE A 48 17.144 -16.985 0.705 1.00 51.15 C ATOM 701 CD1 PHE A 48 16.444 -17.965 1.389 1.00 34.12 C ATOM 702 CD2 PHE A 48 16.541 -16.370 -0.381 1.00 33.31 C ATOM 703 CE1 PHE A 48 15.168 -18.326 0.998 1.00 41.42 C ATOM 704 CE2 PHE A 48 15.265 -16.726 -0.777 1.00 21.54 C ATOM 705 CZ PHE A 48 14.578 -17.705 -0.086 1.00 14.25 C ATOM 0 H PHE A 48 19.742 -14.197 1.210 1.00 12.34 H new ATOM 0 HA PHE A 48 17.567 -15.521 2.725 1.00 3.00 H new ATOM 0 HB2 PHE A 48 19.066 -16.192 0.272 1.00 3.54 H new ATOM 0 HB3 PHE A 48 19.068 -17.489 1.450 1.00 3.54 H new ATOM 0 HD1 PHE A 48 16.900 -18.453 2.238 1.00 34.12 H new ATOM 0 HD2 PHE A 48 17.074 -15.604 -0.924 1.00 33.31 H new ATOM 0 HE1 PHE A 48 14.633 -19.092 1.539 1.00 41.42 H new ATOM 0 HE2 PHE A 48 14.806 -16.239 -1.625 1.00 21.54 H new ATOM 0 HZ PHE A 48 13.581 -17.985 -0.393 1.00 14.25 H new ATOM 715 N TYR A 49 19.062 -16.399 4.484 1.00 12.33 N ATOM 716 CA TYR A 49 19.920 -16.825 5.583 1.00 3.43 C ATOM 717 C TYR A 49 19.332 -18.040 6.294 1.00 5.34 C ATOM 718 O TYR A 49 18.181 -18.021 6.728 1.00 71.45 O ATOM 719 CB TYR A 49 20.114 -15.681 6.580 1.00 15.41 C ATOM 720 CG TYR A 49 19.063 -14.599 6.471 1.00 12.24 C ATOM 721 CD1 TYR A 49 17.886 -14.670 7.207 1.00 71.01 C ATOM 722 CD2 TYR A 49 19.246 -13.506 5.633 1.00 70.30 C ATOM 723 CE1 TYR A 49 16.923 -13.684 7.110 1.00 34.55 C ATOM 724 CE2 TYR A 49 18.289 -12.515 5.531 1.00 31.44 C ATOM 725 CZ TYR A 49 17.129 -12.609 6.272 1.00 71.02 C ATOM 726 OH TYR A 49 16.172 -11.625 6.172 1.00 5.33 O ATOM 0 H TYR A 49 18.063 -16.447 4.686 1.00 12.33 H new ATOM 0 HA TYR A 49 20.888 -17.103 5.167 1.00 3.43 H new ATOM 0 HB2 TYR A 49 20.103 -16.086 7.592 1.00 15.41 H new ATOM 0 HB3 TYR A 49 21.098 -15.238 6.425 1.00 15.41 H new ATOM 0 HD1 TYR A 49 17.721 -15.510 7.866 1.00 71.01 H new ATOM 0 HD2 TYR A 49 20.153 -13.430 5.051 1.00 70.30 H new ATOM 0 HE1 TYR A 49 16.013 -13.755 7.688 1.00 34.55 H new ATOM 0 HE2 TYR A 49 18.448 -11.672 4.875 1.00 31.44 H new ATOM 0 HH TYR A 49 16.473 -10.939 5.540 1.00 5.33 H new ATOM 736 N GLU A 50 20.134 -19.094 6.410 1.00 34.25 N ATOM 737 CA GLU A 50 19.693 -20.319 7.069 1.00 42.43 C ATOM 738 C GLU A 50 20.241 -20.399 8.491 1.00 54.21 C ATOM 739 O GLU A 50 21.316 -20.952 8.724 1.00 52.35 O ATOM 740 CB GLU A 50 20.141 -21.544 6.268 1.00 14.54 C ATOM 741 CG GLU A 50 19.300 -21.801 5.029 1.00 33.54 C ATOM 742 CD GLU A 50 20.019 -21.428 3.748 1.00 62.21 C ATOM 743 OE1 GLU A 50 20.655 -20.354 3.717 1.00 44.21 O ATOM 744 OE2 GLU A 50 19.946 -22.209 2.777 1.00 62.44 O ATOM 0 H GLU A 50 21.091 -19.125 6.057 1.00 34.25 H new ATOM 0 HA GLU A 50 18.604 -20.304 7.118 1.00 42.43 H new ATOM 0 HB2 GLU A 50 21.181 -21.412 5.970 1.00 14.54 H new ATOM 0 HB3 GLU A 50 20.103 -22.423 6.912 1.00 14.54 H new ATOM 0 HG2 GLU A 50 19.025 -22.855 4.993 1.00 33.54 H new ATOM 0 HG3 GLU A 50 18.373 -21.232 5.100 1.00 33.54 H new ATOM 751 N TYR A 51 19.493 -19.843 9.438 1.00 5.11 N ATOM 752 CA TYR A 51 19.904 -19.848 10.837 1.00 22.31 C ATOM 753 C TYR A 51 18.974 -18.982 11.681 1.00 24.02 C ATOM 754 O TYR A 51 17.938 -18.517 11.205 1.00 64.33 O ATOM 755 CB TYR A 51 21.344 -19.349 10.970 1.00 61.55 C ATOM 756 CG TYR A 51 22.307 -20.403 11.469 1.00 74.45 C ATOM 757 CD1 TYR A 51 22.123 -21.011 12.704 1.00 32.32 C ATOM 758 CD2 TYR A 51 23.399 -20.792 10.703 1.00 25.14 C ATOM 759 CE1 TYR A 51 23.000 -21.974 13.164 1.00 21.12 C ATOM 760 CE2 TYR A 51 24.281 -21.755 11.155 1.00 62.12 C ATOM 761 CZ TYR A 51 24.078 -22.343 12.386 1.00 55.31 C ATOM 762 OH TYR A 51 24.953 -23.302 12.840 1.00 70.50 O ATOM 0 H TYR A 51 18.599 -19.383 9.262 1.00 5.11 H new ATOM 0 HA TYR A 51 19.847 -20.874 11.202 1.00 22.31 H new ATOM 0 HB2 TYR A 51 21.685 -18.987 10.000 1.00 61.55 H new ATOM 0 HB3 TYR A 51 21.363 -18.499 11.652 1.00 61.55 H new ATOM 0 HD1 TYR A 51 21.280 -20.726 13.315 1.00 32.32 H new ATOM 0 HD2 TYR A 51 23.561 -20.334 9.738 1.00 25.14 H new ATOM 0 HE1 TYR A 51 22.843 -22.436 14.128 1.00 21.12 H new ATOM 0 HE2 TYR A 51 25.125 -22.046 10.547 1.00 62.12 H new ATOM 0 HH TYR A 51 25.655 -23.446 12.172 1.00 70.50 H new ATOM 772 N ILE A 52 19.353 -18.769 12.937 1.00 71.11 N ATOM 773 CA ILE A 52 18.555 -17.958 13.848 1.00 50.43 C ATOM 774 C ILE A 52 18.288 -16.575 13.262 1.00 75.44 C ATOM 775 O ILE A 52 18.812 -16.226 12.205 1.00 31.20 O ATOM 776 CB ILE A 52 19.248 -17.798 15.214 1.00 71.32 C ATOM 777 CG1 ILE A 52 20.647 -17.205 15.035 1.00 54.54 C ATOM 778 CG2 ILE A 52 19.323 -19.139 15.929 1.00 43.00 C ATOM 779 CD1 ILE A 52 21.395 -17.019 16.336 1.00 44.13 C ATOM 0 H ILE A 52 20.207 -19.147 13.347 1.00 71.11 H new ATOM 0 HA ILE A 52 17.609 -18.480 13.989 1.00 50.43 H new ATOM 0 HB ILE A 52 18.660 -17.114 15.825 1.00 71.32 H new ATOM 0 HG12 ILE A 52 21.228 -17.856 14.381 1.00 54.54 H new ATOM 0 HG13 ILE A 52 20.563 -16.241 14.533 1.00 54.54 H new ATOM 0 HG21 ILE A 52 19.815 -19.010 16.893 1.00 43.00 H new ATOM 0 HG22 ILE A 52 18.316 -19.525 16.085 1.00 43.00 H new ATOM 0 HG23 ILE A 52 19.892 -19.844 15.322 1.00 43.00 H new ATOM 0 HD11 ILE A 52 22.378 -16.595 16.133 1.00 44.13 H new ATOM 0 HD12 ILE A 52 20.836 -16.344 16.984 1.00 44.13 H new ATOM 0 HD13 ILE A 52 21.511 -17.984 16.830 1.00 44.13 H new ATOM 791 N ASN A 53 17.469 -15.792 13.957 1.00 60.33 N ATOM 792 CA ASN A 53 17.133 -14.447 13.506 1.00 54.31 C ATOM 793 C ASN A 53 18.149 -13.431 14.019 1.00 31.12 C ATOM 794 O ASN A 53 17.793 -12.310 14.381 1.00 13.54 O ATOM 795 CB ASN A 53 15.729 -14.064 13.979 1.00 52.10 C ATOM 796 CG ASN A 53 15.151 -12.902 13.194 1.00 20.01 C ATOM 797 OD1 ASN A 53 14.815 -13.039 12.018 1.00 70.12 O ATOM 798 ND2 ASN A 53 15.033 -11.750 13.844 1.00 42.23 N ATOM 0 H ASN A 53 17.026 -16.066 14.834 1.00 60.33 H new ATOM 0 HA ASN A 53 17.157 -14.440 12.416 1.00 54.31 H new ATOM 0 HB2 ASN A 53 15.069 -14.926 13.885 1.00 52.10 H new ATOM 0 HB3 ASN A 53 15.764 -13.803 15.037 1.00 52.10 H new ATOM 0 HD21 ASN A 53 14.651 -10.933 13.368 1.00 42.23 H new ATOM 0 HD22 ASN A 53 15.325 -11.682 14.819 1.00 42.23 H new ATOM 805 N TYR A 54 19.415 -13.832 14.047 1.00 40.23 N ATOM 806 CA TYR A 54 20.483 -12.958 14.517 1.00 2.20 C ATOM 807 C TYR A 54 21.808 -13.308 13.847 1.00 25.34 C ATOM 808 O TYR A 54 22.878 -12.941 14.332 1.00 61.04 O ATOM 809 CB TYR A 54 20.624 -13.062 16.037 1.00 53.44 C ATOM 810 CG TYR A 54 19.327 -12.837 16.781 1.00 2.44 C ATOM 811 CD1 TYR A 54 18.474 -13.896 17.065 1.00 11.25 C ATOM 812 CD2 TYR A 54 18.955 -11.565 17.200 1.00 30.20 C ATOM 813 CE1 TYR A 54 17.288 -13.695 17.745 1.00 31.11 C ATOM 814 CE2 TYR A 54 17.772 -11.355 17.881 1.00 32.44 C ATOM 815 CZ TYR A 54 16.942 -12.423 18.151 1.00 34.33 C ATOM 816 OH TYR A 54 15.761 -12.218 18.829 1.00 64.35 O ATOM 0 H TYR A 54 19.727 -14.757 13.750 1.00 40.23 H new ATOM 0 HA TYR A 54 20.222 -11.933 14.252 1.00 2.20 H new ATOM 0 HB2 TYR A 54 21.013 -14.048 16.291 1.00 53.44 H new ATOM 0 HB3 TYR A 54 21.359 -12.332 16.376 1.00 53.44 H new ATOM 0 HD1 TYR A 54 18.742 -14.893 16.749 1.00 11.25 H new ATOM 0 HD2 TYR A 54 19.602 -10.726 16.989 1.00 30.20 H new ATOM 0 HE1 TYR A 54 16.636 -14.529 17.957 1.00 31.11 H new ATOM 0 HE2 TYR A 54 17.498 -10.360 18.200 1.00 32.44 H new ATOM 0 HH TYR A 54 15.668 -11.266 19.044 1.00 64.35 H new ATOM 826 N GLY A 55 21.728 -14.022 12.728 1.00 22.14 N ATOM 827 CA GLY A 55 22.927 -14.411 12.009 1.00 41.42 C ATOM 828 C GLY A 55 22.643 -15.412 10.907 1.00 51.23 C ATOM 829 O GLY A 55 21.545 -15.441 10.353 1.00 52.23 O ATOM 0 H GLY A 55 20.854 -14.338 12.307 1.00 22.14 H new ATOM 0 HA2 GLY A 55 23.393 -13.524 11.579 1.00 41.42 H new ATOM 0 HA3 GLY A 55 23.644 -14.840 12.709 1.00 41.42 H new ATOM 833 N GLY A 56 23.637 -16.235 10.586 1.00 33.12 N ATOM 834 CA GLY A 56 23.469 -17.230 9.543 1.00 13.20 C ATOM 835 C GLY A 56 24.227 -16.878 8.279 1.00 52.45 C ATOM 836 O GLY A 56 24.837 -15.812 8.189 1.00 22.22 O ATOM 0 H GLY A 56 24.555 -16.230 11.030 1.00 33.12 H new ATOM 0 HA2 GLY A 56 23.810 -18.198 9.910 1.00 13.20 H new ATOM 0 HA3 GLY A 56 22.409 -17.333 9.311 1.00 13.20 H new ATOM 840 N ARG A 57 24.190 -17.775 7.299 1.00 51.01 N ATOM 841 CA ARG A 57 24.881 -17.555 6.034 1.00 3.45 C ATOM 842 C ARG A 57 24.151 -16.514 5.190 1.00 64.32 C ATOM 843 O ARG A 57 23.065 -16.772 4.671 1.00 61.41 O ATOM 844 CB ARG A 57 24.998 -18.867 5.257 1.00 25.03 C ATOM 845 CG ARG A 57 25.506 -18.690 3.836 1.00 45.22 C ATOM 846 CD ARG A 57 24.425 -19.005 2.814 1.00 21.33 C ATOM 847 NE ARG A 57 24.988 -19.395 1.524 1.00 13.02 N ATOM 848 CZ ARG A 57 25.633 -20.538 1.319 1.00 52.12 C ATOM 849 NH1 ARG A 57 25.796 -21.399 2.314 1.00 75.14 N ATOM 850 NH2 ARG A 57 26.116 -20.821 0.116 1.00 23.40 N ATOM 0 H ARG A 57 23.689 -18.661 7.357 1.00 51.01 H new ATOM 0 HA ARG A 57 25.881 -17.182 6.255 1.00 3.45 H new ATOM 0 HB2 ARG A 57 25.669 -19.538 5.793 1.00 25.03 H new ATOM 0 HB3 ARG A 57 24.021 -19.350 5.227 1.00 25.03 H new ATOM 0 HG2 ARG A 57 25.852 -17.666 3.697 1.00 45.22 H new ATOM 0 HG3 ARG A 57 26.364 -19.341 3.672 1.00 45.22 H new ATOM 0 HD2 ARG A 57 23.793 -19.809 3.191 1.00 21.33 H new ATOM 0 HD3 ARG A 57 23.786 -18.132 2.682 1.00 21.33 H new ATOM 0 HE ARG A 57 24.880 -18.755 0.737 1.00 13.02 H new ATOM 0 HH11 ARG A 57 25.426 -21.184 3.240 1.00 75.14 H new ATOM 0 HH12 ARG A 57 26.292 -22.276 2.154 1.00 75.14 H new ATOM 0 HH21 ARG A 57 25.992 -20.161 -0.652 1.00 23.40 H new ATOM 0 HH22 ARG A 57 26.611 -21.699 -0.041 1.00 23.40 H new ATOM 864 N TYR A 58 24.755 -15.339 5.057 1.00 0.51 N ATOM 865 CA TYR A 58 24.161 -14.258 4.278 1.00 25.23 C ATOM 866 C TYR A 58 24.350 -14.497 2.783 1.00 33.33 C ATOM 867 O TYR A 58 25.457 -14.380 2.259 1.00 25.15 O ATOM 868 CB TYR A 58 24.781 -12.917 4.674 1.00 53.45 C ATOM 869 CG TYR A 58 24.491 -11.803 3.692 1.00 30.42 C ATOM 870 CD1 TYR A 58 23.229 -11.658 3.129 1.00 64.14 C ATOM 871 CD2 TYR A 58 25.479 -10.896 3.329 1.00 31.13 C ATOM 872 CE1 TYR A 58 22.961 -10.643 2.231 1.00 73.00 C ATOM 873 CE2 TYR A 58 25.219 -9.877 2.434 1.00 72.04 C ATOM 874 CZ TYR A 58 23.958 -9.755 1.887 1.00 44.01 C ATOM 875 OH TYR A 58 23.694 -8.742 0.994 1.00 2.42 O ATOM 0 H TYR A 58 25.655 -15.110 5.478 1.00 0.51 H new ATOM 0 HA TYR A 58 23.092 -14.234 4.491 1.00 25.23 H new ATOM 0 HB2 TYR A 58 24.408 -12.630 5.657 1.00 53.45 H new ATOM 0 HB3 TYR A 58 25.860 -13.038 4.765 1.00 53.45 H new ATOM 0 HD1 TYR A 58 22.445 -12.350 3.398 1.00 64.14 H new ATOM 0 HD2 TYR A 58 26.467 -10.990 3.754 1.00 31.13 H new ATOM 0 HE1 TYR A 58 21.975 -10.546 1.801 1.00 73.00 H new ATOM 0 HE2 TYR A 58 25.998 -9.180 2.164 1.00 72.04 H new ATOM 0 HH TYR A 58 23.637 -9.111 0.088 1.00 2.42 H new ATOM 885 N TRP A 59 23.259 -14.832 2.103 1.00 65.20 N ATOM 886 CA TRP A 59 23.303 -15.087 0.668 1.00 71.44 C ATOM 887 C TRP A 59 22.097 -14.470 -0.032 1.00 2.51 C ATOM 888 O TRP A 59 20.976 -14.964 0.090 1.00 65.32 O ATOM 889 CB TRP A 59 23.349 -16.592 0.398 1.00 72.24 C ATOM 890 CG TRP A 59 22.763 -16.976 -0.927 1.00 74.23 C ATOM 891 CD1 TRP A 59 23.228 -16.625 -2.162 1.00 51.32 C ATOM 892 CD2 TRP A 59 21.601 -17.783 -1.149 1.00 21.52 C ATOM 893 NE1 TRP A 59 22.426 -17.165 -3.138 1.00 55.12 N ATOM 894 CE2 TRP A 59 21.421 -17.881 -2.543 1.00 1.15 C ATOM 895 CE3 TRP A 59 20.697 -18.435 -0.306 1.00 31.21 C ATOM 896 CZ2 TRP A 59 20.374 -18.602 -3.109 1.00 34.32 C ATOM 897 CZ3 TRP A 59 19.658 -19.151 -0.870 1.00 14.45 C ATOM 898 CH2 TRP A 59 19.503 -19.230 -2.260 1.00 22.31 C ATOM 0 H TRP A 59 22.334 -14.933 2.522 1.00 65.20 H new ATOM 0 HA TRP A 59 24.206 -14.625 0.270 1.00 71.44 H new ATOM 0 HB2 TRP A 59 24.384 -16.930 0.441 1.00 72.24 H new ATOM 0 HB3 TRP A 59 22.811 -17.113 1.190 1.00 72.24 H new ATOM 0 HD1 TRP A 59 24.099 -16.013 -2.345 1.00 51.32 H new ATOM 0 HE1 TRP A 59 22.558 -17.051 -4.143 1.00 55.12 H new ATOM 0 HE3 TRP A 59 20.808 -18.380 0.767 1.00 31.21 H new ATOM 0 HZ2 TRP A 59 20.253 -18.664 -4.180 1.00 34.32 H new ATOM 0 HZ3 TRP A 59 18.953 -19.658 -0.228 1.00 14.45 H new ATOM 0 HH2 TRP A 59 18.680 -19.797 -2.670 1.00 22.31 H new ATOM 909 N ASP A 60 22.334 -13.387 -0.764 1.00 43.30 N ATOM 910 CA ASP A 60 21.267 -12.702 -1.484 1.00 60.13 C ATOM 911 C ASP A 60 21.131 -13.248 -2.902 1.00 62.13 C ATOM 912 O ASP A 60 22.071 -13.828 -3.448 1.00 51.35 O ATOM 913 CB ASP A 60 21.536 -11.197 -1.528 1.00 31.03 C ATOM 914 CG ASP A 60 22.973 -10.876 -1.888 1.00 51.23 C ATOM 915 OD1 ASP A 60 23.273 -10.775 -3.096 1.00 53.22 O ATOM 916 OD2 ASP A 60 23.798 -10.726 -0.963 1.00 21.24 O ATOM 0 H ASP A 60 23.256 -12.965 -0.874 1.00 43.30 H new ATOM 0 HA ASP A 60 20.332 -12.881 -0.953 1.00 60.13 H new ATOM 0 HB2 ASP A 60 20.870 -10.733 -2.255 1.00 31.03 H new ATOM 0 HB3 ASP A 60 21.302 -10.760 -0.557 1.00 31.03 H new ATOM 921 N LEU A 61 19.956 -13.061 -3.493 1.00 2.52 N ATOM 922 CA LEU A 61 19.696 -13.535 -4.848 1.00 23.24 C ATOM 923 C LEU A 61 19.337 -12.376 -5.771 1.00 44.44 C ATOM 924 O LEU A 61 18.763 -11.378 -5.338 1.00 1.13 O ATOM 925 CB LEU A 61 18.565 -14.565 -4.840 1.00 64.11 C ATOM 926 CG LEU A 61 17.195 -14.054 -4.394 1.00 40.01 C ATOM 927 CD1 LEU A 61 16.090 -14.952 -4.930 1.00 3.45 C ATOM 928 CD2 LEU A 61 17.126 -13.968 -2.876 1.00 41.23 C ATOM 0 H LEU A 61 19.168 -12.584 -3.055 1.00 2.52 H new ATOM 0 HA LEU A 61 20.605 -14.005 -5.223 1.00 23.24 H new ATOM 0 HB2 LEU A 61 18.468 -14.976 -5.845 1.00 64.11 H new ATOM 0 HB3 LEU A 61 18.854 -15.388 -4.186 1.00 64.11 H new ATOM 0 HG LEU A 61 17.051 -13.053 -4.801 1.00 40.01 H new ATOM 0 HD11 LEU A 61 15.122 -14.573 -4.602 1.00 3.45 H new ATOM 0 HD12 LEU A 61 16.126 -14.962 -6.019 1.00 3.45 H new ATOM 0 HD13 LEU A 61 16.229 -15.965 -4.553 1.00 3.45 H new ATOM 0 HD21 LEU A 61 16.144 -13.602 -2.577 1.00 41.23 H new ATOM 0 HD22 LEU A 61 17.291 -14.957 -2.448 1.00 41.23 H new ATOM 0 HD23 LEU A 61 17.893 -13.283 -2.515 1.00 41.23 H new ATOM 940 N GLY A 62 19.679 -12.516 -7.049 1.00 13.31 N ATOM 941 CA GLY A 62 19.383 -11.474 -8.014 1.00 53.53 C ATOM 942 C GLY A 62 18.584 -11.987 -9.196 1.00 33.44 C ATOM 943 O GLY A 62 18.153 -13.140 -9.227 1.00 23.42 O ATOM 0 H GLY A 62 20.156 -13.332 -7.432 1.00 13.31 H new ATOM 0 HA2 GLY A 62 18.827 -10.676 -7.523 1.00 53.53 H new ATOM 0 HA3 GLY A 62 20.316 -11.039 -8.372 1.00 53.53 H new ATOM 947 N PRO A 63 18.374 -11.119 -10.196 1.00 15.43 N ATOM 948 CA PRO A 63 17.619 -11.468 -11.403 1.00 35.45 C ATOM 949 C PRO A 63 18.001 -12.840 -11.949 1.00 2.34 C ATOM 950 O PRO A 63 19.030 -12.992 -12.606 1.00 52.22 O ATOM 951 CB PRO A 63 18.007 -10.370 -12.395 1.00 45.01 C ATOM 952 CG PRO A 63 18.371 -9.202 -11.544 1.00 64.34 C ATOM 953 CD PRO A 63 18.857 -9.728 -10.226 1.00 23.14 C ATOM 0 HA PRO A 63 16.548 -11.527 -11.211 1.00 35.45 H new ATOM 0 HB2 PRO A 63 18.844 -10.680 -13.021 1.00 45.01 H new ATOM 0 HB3 PRO A 63 17.180 -10.130 -13.064 1.00 45.01 H new ATOM 0 HG2 PRO A 63 19.145 -8.605 -12.026 1.00 64.34 H new ATOM 0 HG3 PRO A 63 17.509 -8.550 -11.401 1.00 64.34 H new ATOM 0 HD2 PRO A 63 19.944 -9.681 -10.154 1.00 23.14 H new ATOM 0 HD3 PRO A 63 18.457 -9.149 -9.394 1.00 23.14 H new ATOM 961 N GLY A 64 17.166 -13.836 -11.672 1.00 33.41 N ATOM 962 CA GLY A 64 17.434 -15.182 -12.144 1.00 23.24 C ATOM 963 C GLY A 64 16.698 -16.236 -11.340 1.00 52.15 C ATOM 964 O GLY A 64 16.235 -15.969 -10.232 1.00 3.11 O ATOM 0 H GLY A 64 16.308 -13.735 -11.129 1.00 33.41 H new ATOM 0 HA2 GLY A 64 17.144 -15.261 -13.192 1.00 23.24 H new ATOM 0 HA3 GLY A 64 18.506 -15.374 -12.094 1.00 23.24 H new ATOM 968 N GLU A 65 16.587 -17.436 -11.902 1.00 3.12 N ATOM 969 CA GLU A 65 15.899 -18.532 -11.230 1.00 61.14 C ATOM 970 C GLU A 65 16.864 -19.673 -10.923 1.00 22.33 C ATOM 971 O GLU A 65 17.812 -19.917 -11.669 1.00 64.43 O ATOM 972 CB GLU A 65 14.745 -19.045 -12.095 1.00 0.44 C ATOM 973 CG GLU A 65 13.902 -20.110 -11.414 1.00 72.04 C ATOM 974 CD GLU A 65 14.062 -21.476 -12.052 1.00 64.33 C ATOM 975 OE1 GLU A 65 15.216 -21.930 -12.201 1.00 71.50 O ATOM 976 OE2 GLU A 65 13.033 -22.091 -12.402 1.00 63.55 O ATOM 0 H GLU A 65 16.964 -17.673 -12.820 1.00 3.12 H new ATOM 0 HA GLU A 65 15.499 -18.154 -10.289 1.00 61.14 H new ATOM 0 HB2 GLU A 65 14.105 -18.206 -12.367 1.00 0.44 H new ATOM 0 HB3 GLU A 65 15.149 -19.451 -13.022 1.00 0.44 H new ATOM 0 HG2 GLU A 65 14.179 -20.170 -10.362 1.00 72.04 H new ATOM 0 HG3 GLU A 65 12.853 -19.816 -11.451 1.00 72.04 H new ATOM 983 N TYR A 66 16.616 -20.368 -9.818 1.00 60.43 N ATOM 984 CA TYR A 66 17.464 -21.482 -9.409 1.00 51.22 C ATOM 985 C TYR A 66 16.622 -22.697 -9.030 1.00 4.54 C ATOM 986 O TYR A 66 15.432 -22.575 -8.740 1.00 62.31 O ATOM 987 CB TYR A 66 18.347 -21.071 -8.230 1.00 44.01 C ATOM 988 CG TYR A 66 18.827 -19.639 -8.303 1.00 42.00 C ATOM 989 CD1 TYR A 66 19.518 -19.173 -9.415 1.00 21.10 C ATOM 990 CD2 TYR A 66 18.591 -18.752 -7.260 1.00 74.20 C ATOM 991 CE1 TYR A 66 19.959 -17.866 -9.486 1.00 10.31 C ATOM 992 CE2 TYR A 66 19.026 -17.443 -7.323 1.00 5.21 C ATOM 993 CZ TYR A 66 19.710 -17.004 -8.438 1.00 23.53 C ATOM 994 OH TYR A 66 20.147 -15.701 -8.504 1.00 24.34 O ATOM 0 H TYR A 66 15.835 -20.180 -9.190 1.00 60.43 H new ATOM 0 HA TYR A 66 18.099 -21.752 -10.253 1.00 51.22 H new ATOM 0 HB2 TYR A 66 17.790 -21.212 -7.304 1.00 44.01 H new ATOM 0 HB3 TYR A 66 19.212 -21.733 -8.186 1.00 44.01 H new ATOM 0 HD1 TYR A 66 19.714 -19.844 -10.238 1.00 21.10 H new ATOM 0 HD2 TYR A 66 18.058 -19.092 -6.385 1.00 74.20 H new ATOM 0 HE1 TYR A 66 20.496 -17.521 -10.357 1.00 10.31 H new ATOM 0 HE2 TYR A 66 18.832 -16.766 -6.504 1.00 5.21 H new ATOM 0 HH TYR A 66 19.392 -15.113 -8.716 1.00 24.34 H new ATOM 1004 N SER A 67 17.251 -23.868 -9.033 1.00 12.20 N ATOM 1005 CA SER A 67 16.561 -25.106 -8.692 1.00 73.43 C ATOM 1006 C SER A 67 17.452 -26.010 -7.846 1.00 63.01 C ATOM 1007 O SER A 67 17.804 -27.115 -8.258 1.00 20.40 O ATOM 1008 CB SER A 67 16.130 -25.841 -9.963 1.00 62.32 C ATOM 1009 OG SER A 67 17.255 -26.240 -10.728 1.00 11.33 O ATOM 0 H SER A 67 18.237 -23.985 -9.268 1.00 12.20 H new ATOM 0 HA SER A 67 15.676 -24.851 -8.110 1.00 73.43 H new ATOM 0 HB2 SER A 67 15.538 -26.717 -9.697 1.00 62.32 H new ATOM 0 HB3 SER A 67 15.490 -25.193 -10.562 1.00 62.32 H new ATOM 0 HG SER A 67 17.841 -26.802 -10.179 1.00 11.33 H new ATOM 1015 N SER A 68 17.814 -25.531 -6.660 1.00 43.23 N ATOM 1016 CA SER A 68 18.668 -26.292 -5.756 1.00 61.52 C ATOM 1017 C SER A 68 17.839 -27.244 -4.899 1.00 22.01 C ATOM 1018 O SER A 68 16.708 -26.935 -4.524 1.00 71.13 O ATOM 1019 CB SER A 68 19.469 -25.347 -4.860 1.00 3.35 C ATOM 1020 OG SER A 68 20.335 -24.528 -5.627 1.00 12.34 O ATOM 0 H SER A 68 17.529 -24.619 -6.303 1.00 43.23 H new ATOM 0 HA SER A 68 19.359 -26.881 -6.359 1.00 61.52 H new ATOM 0 HB2 SER A 68 18.787 -24.721 -4.284 1.00 3.35 H new ATOM 0 HB3 SER A 68 20.051 -25.927 -4.144 1.00 3.35 H new ATOM 0 HG SER A 68 20.835 -23.932 -5.031 1.00 12.34 H new ATOM 1026 N VAL A 69 18.411 -28.404 -4.592 1.00 21.05 N ATOM 1027 CA VAL A 69 17.727 -29.402 -3.778 1.00 0.34 C ATOM 1028 C VAL A 69 18.723 -30.240 -2.984 1.00 13.34 C ATOM 1029 O VAL A 69 18.394 -31.326 -2.509 1.00 21.32 O ATOM 1030 CB VAL A 69 16.862 -30.336 -4.644 1.00 64.24 C ATOM 1031 CG1 VAL A 69 15.768 -29.550 -5.350 1.00 10.23 C ATOM 1032 CG2 VAL A 69 17.727 -31.081 -5.650 1.00 23.43 C ATOM 0 H VAL A 69 19.346 -28.676 -4.895 1.00 21.05 H new ATOM 0 HA VAL A 69 17.082 -28.859 -3.087 1.00 0.34 H new ATOM 0 HB VAL A 69 16.386 -31.069 -3.993 1.00 64.24 H new ATOM 0 HG11 VAL A 69 15.167 -30.227 -5.957 1.00 10.23 H new ATOM 0 HG12 VAL A 69 15.132 -29.066 -4.609 1.00 10.23 H new ATOM 0 HG13 VAL A 69 16.220 -28.793 -5.991 1.00 10.23 H new ATOM 0 HG21 VAL A 69 17.100 -31.737 -6.254 1.00 23.43 H new ATOM 0 HG22 VAL A 69 18.232 -30.364 -6.298 1.00 23.43 H new ATOM 0 HG23 VAL A 69 18.470 -31.677 -5.120 1.00 23.43 H new ATOM 1042 N GLU A 70 19.941 -29.726 -2.843 1.00 71.23 N ATOM 1043 CA GLU A 70 20.985 -30.429 -2.106 1.00 50.55 C ATOM 1044 C GLU A 70 22.285 -29.630 -2.111 1.00 1.44 C ATOM 1045 O GLU A 70 23.373 -30.195 -2.217 1.00 23.13 O ATOM 1046 CB GLU A 70 21.223 -31.814 -2.711 1.00 11.11 C ATOM 1047 CG GLU A 70 21.329 -31.807 -4.227 1.00 4.44 C ATOM 1048 CD GLU A 70 22.124 -32.982 -4.761 1.00 70.23 C ATOM 1049 OE1 GLU A 70 23.363 -32.864 -4.860 1.00 4.10 O ATOM 1050 OE2 GLU A 70 21.507 -34.020 -5.081 1.00 41.42 O ATOM 0 H GLU A 70 20.229 -28.827 -3.229 1.00 71.23 H new ATOM 0 HA GLU A 70 20.652 -30.544 -1.074 1.00 50.55 H new ATOM 0 HB2 GLU A 70 22.139 -32.231 -2.293 1.00 11.11 H new ATOM 0 HB3 GLU A 70 20.408 -32.475 -2.415 1.00 11.11 H new ATOM 0 HG2 GLU A 70 20.328 -31.825 -4.658 1.00 4.44 H new ATOM 0 HG3 GLU A 70 21.799 -30.878 -4.550 1.00 4.44 H new ATOM 1057 N SER A 71 22.163 -28.311 -1.995 1.00 30.11 N ATOM 1058 CA SER A 71 23.327 -27.433 -1.990 1.00 22.13 C ATOM 1059 C SER A 71 22.989 -26.086 -1.358 1.00 70.12 C ATOM 1060 O SER A 71 23.732 -25.578 -0.519 1.00 53.41 O ATOM 1061 CB SER A 71 23.843 -27.226 -3.415 1.00 55.12 C ATOM 1062 OG SER A 71 25.187 -27.655 -3.539 1.00 23.41 O ATOM 0 H SER A 71 21.270 -27.827 -1.903 1.00 30.11 H new ATOM 0 HA SER A 71 24.107 -27.908 -1.395 1.00 22.13 H new ATOM 0 HB2 SER A 71 23.216 -27.778 -4.116 1.00 55.12 H new ATOM 0 HB3 SER A 71 23.769 -26.172 -3.682 1.00 55.12 H new ATOM 0 HG SER A 71 25.492 -27.513 -4.460 1.00 23.41 H new ATOM 1068 N ALA A 72 21.862 -25.514 -1.769 1.00 10.33 N ATOM 1069 CA ALA A 72 21.423 -24.227 -1.243 1.00 21.13 C ATOM 1070 C ALA A 72 21.420 -24.230 0.282 1.00 13.32 C ATOM 1071 O ALA A 72 21.898 -23.290 0.915 1.00 3.34 O ATOM 1072 CB ALA A 72 20.040 -23.884 -1.775 1.00 13.51 C ATOM 0 H ALA A 72 21.237 -25.921 -2.464 1.00 10.33 H new ATOM 0 HA ALA A 72 22.128 -23.466 -1.577 1.00 21.13 H new ATOM 0 HB1 ALA A 72 19.725 -22.921 -1.374 1.00 13.51 H new ATOM 0 HB2 ALA A 72 20.071 -23.832 -2.863 1.00 13.51 H new ATOM 0 HB3 ALA A 72 19.331 -24.654 -1.469 1.00 13.51 H new ATOM 1078 N GLY A 73 20.876 -25.293 0.867 1.00 73.04 N ATOM 1079 CA GLY A 73 20.820 -25.397 2.313 1.00 34.00 C ATOM 1080 C GLY A 73 19.897 -26.506 2.779 1.00 25.12 C ATOM 1081 O GLY A 73 18.675 -26.359 2.750 1.00 62.31 O ATOM 0 H GLY A 73 20.473 -26.084 0.365 1.00 73.04 H new ATOM 0 HA2 GLY A 73 21.823 -25.576 2.700 1.00 34.00 H new ATOM 0 HA3 GLY A 73 20.482 -24.448 2.730 1.00 34.00 H new ATOM 1085 N ILE A 74 20.483 -27.619 3.209 1.00 40.23 N ATOM 1086 CA ILE A 74 19.705 -28.757 3.682 1.00 2.12 C ATOM 1087 C ILE A 74 20.233 -29.265 5.019 1.00 21.54 C ATOM 1088 O ILE A 74 20.874 -30.313 5.104 1.00 30.30 O ATOM 1089 CB ILE A 74 19.721 -29.912 2.664 1.00 71.31 C ATOM 1090 CG1 ILE A 74 19.521 -29.374 1.246 1.00 54.02 C ATOM 1091 CG2 ILE A 74 18.646 -30.934 3.005 1.00 4.23 C ATOM 1092 CD1 ILE A 74 18.204 -28.654 1.053 1.00 3.01 C ATOM 0 H ILE A 74 21.493 -27.756 3.239 1.00 40.23 H new ATOM 0 HA ILE A 74 18.680 -28.409 3.807 1.00 2.12 H new ATOM 0 HB ILE A 74 20.692 -30.405 2.712 1.00 71.31 H new ATOM 0 HG12 ILE A 74 20.337 -28.692 1.006 1.00 54.02 H new ATOM 0 HG13 ILE A 74 19.580 -30.202 0.540 1.00 54.02 H new ATOM 0 HG21 ILE A 74 18.670 -31.744 2.276 1.00 4.23 H new ATOM 0 HG22 ILE A 74 18.829 -31.336 4.001 1.00 4.23 H new ATOM 0 HG23 ILE A 74 17.668 -30.454 2.982 1.00 4.23 H new ATOM 0 HD11 ILE A 74 18.130 -28.300 0.025 1.00 3.01 H new ATOM 0 HD12 ILE A 74 17.381 -29.338 1.261 1.00 3.01 H new ATOM 0 HD13 ILE A 74 18.150 -27.805 1.734 1.00 3.01 H new ATOM 1104 N PRO A 75 19.957 -28.508 6.091 1.00 1.22 N ATOM 1105 CA PRO A 75 20.393 -28.863 7.445 1.00 12.10 C ATOM 1106 C PRO A 75 19.527 -29.954 8.065 1.00 20.21 C ATOM 1107 O PRO A 75 18.858 -30.707 7.357 1.00 44.15 O ATOM 1108 CB PRO A 75 20.240 -27.553 8.222 1.00 52.10 C ATOM 1109 CG PRO A 75 19.924 -26.532 7.184 1.00 3.32 C ATOM 1110 CD PRO A 75 19.198 -27.246 6.064 1.00 32.30 C ATOM 0 HA PRO A 75 21.406 -29.264 7.455 1.00 12.10 H new ATOM 0 HB2 PRO A 75 19.444 -27.623 8.964 1.00 52.10 H new ATOM 0 HB3 PRO A 75 21.155 -27.302 8.759 1.00 52.10 H new ATOM 0 HG2 PRO A 75 19.304 -25.738 7.601 1.00 3.32 H new ATOM 0 HG3 PRO A 75 20.836 -26.063 6.815 1.00 3.32 H new ATOM 0 HD2 PRO A 75 18.136 -27.385 6.267 1.00 32.30 H new ATOM 0 HD3 PRO A 75 19.274 -26.725 5.109 1.00 32.30 H new ATOM 1118 N ASP A 76 19.544 -30.034 9.391 1.00 34.00 N ATOM 1119 CA ASP A 76 18.758 -31.033 10.107 1.00 43.12 C ATOM 1120 C ASP A 76 17.284 -30.643 10.140 1.00 32.12 C ATOM 1121 O ASP A 76 16.411 -31.493 10.310 1.00 71.12 O ATOM 1122 CB ASP A 76 19.286 -31.202 11.532 1.00 23.22 C ATOM 1123 CG ASP A 76 19.290 -32.651 11.980 1.00 12.41 C ATOM 1124 OD1 ASP A 76 18.245 -33.319 11.834 1.00 1.34 O ATOM 1125 OD2 ASP A 76 20.337 -33.116 12.477 1.00 1.21 O ATOM 0 H ASP A 76 20.093 -29.419 9.992 1.00 34.00 H new ATOM 0 HA ASP A 76 18.852 -31.981 9.578 1.00 43.12 H new ATOM 0 HB2 ASP A 76 20.299 -30.804 11.591 1.00 23.22 H new ATOM 0 HB3 ASP A 76 18.673 -30.615 12.216 1.00 23.22 H new ATOM 1130 N ASN A 77 17.015 -29.352 9.978 1.00 14.32 N ATOM 1131 CA ASN A 77 15.646 -28.849 9.992 1.00 53.25 C ATOM 1132 C ASN A 77 15.555 -27.499 9.286 1.00 60.22 C ATOM 1133 O ASN A 77 16.504 -27.063 8.634 1.00 73.11 O ATOM 1134 CB ASN A 77 15.142 -28.719 11.430 1.00 33.54 C ATOM 1135 CG ASN A 77 13.863 -29.499 11.667 1.00 32.13 C ATOM 1136 OD1 ASN A 77 13.645 -30.553 11.069 1.00 1.21 O ATOM 1137 ND2 ASN A 77 13.009 -28.983 12.544 1.00 42.12 N ATOM 0 H ASN A 77 17.726 -28.635 9.836 1.00 14.32 H new ATOM 0 HA ASN A 77 15.019 -29.562 9.457 1.00 53.25 H new ATOM 0 HB2 ASN A 77 15.912 -29.073 12.115 1.00 33.54 H new ATOM 0 HB3 ASN A 77 14.970 -27.667 11.658 1.00 33.54 H new ATOM 0 HD21 ASN A 77 12.132 -29.463 12.745 1.00 42.12 H new ATOM 0 HD22 ASN A 77 13.231 -28.107 13.017 1.00 42.12 H new ATOM 1144 N SER A 78 14.407 -26.843 9.422 1.00 43.55 N ATOM 1145 CA SER A 78 14.191 -25.544 8.795 1.00 50.14 C ATOM 1146 C SER A 78 15.240 -24.537 9.255 1.00 3.32 C ATOM 1147 O SER A 78 16.339 -24.472 8.703 1.00 71.12 O ATOM 1148 CB SER A 78 12.790 -25.023 9.121 1.00 30.32 C ATOM 1149 OG SER A 78 12.645 -23.669 8.731 1.00 5.31 O ATOM 0 H SER A 78 13.613 -27.189 9.960 1.00 43.55 H new ATOM 0 HA SER A 78 14.282 -25.670 7.716 1.00 50.14 H new ATOM 0 HB2 SER A 78 12.044 -25.633 8.611 1.00 30.32 H new ATOM 0 HB3 SER A 78 12.603 -25.118 10.191 1.00 30.32 H new ATOM 0 HG SER A 78 11.741 -23.361 8.949 1.00 5.31 H new ATOM 1155 N ILE A 79 14.893 -23.753 10.270 1.00 2.14 N ATOM 1156 CA ILE A 79 15.805 -22.750 10.807 1.00 54.45 C ATOM 1157 C ILE A 79 16.369 -21.870 9.696 1.00 61.31 C ATOM 1158 O ILE A 79 17.582 -21.812 9.492 1.00 74.54 O ATOM 1159 CB ILE A 79 16.971 -23.401 11.573 1.00 12.22 C ATOM 1160 CG1 ILE A 79 16.445 -24.469 12.534 1.00 71.43 C ATOM 1161 CG2 ILE A 79 17.763 -22.345 12.329 1.00 12.45 C ATOM 1162 CD1 ILE A 79 16.770 -25.882 12.102 1.00 33.32 C ATOM 0 H ILE A 79 13.987 -23.793 10.737 1.00 2.14 H new ATOM 0 HA ILE A 79 15.227 -22.135 11.497 1.00 54.45 H new ATOM 0 HB ILE A 79 17.636 -23.881 10.855 1.00 12.22 H new ATOM 0 HG12 ILE A 79 16.866 -24.294 13.524 1.00 71.43 H new ATOM 0 HG13 ILE A 79 15.364 -24.365 12.624 1.00 71.43 H new ATOM 0 HG21 ILE A 79 18.584 -22.821 12.866 1.00 12.45 H new ATOM 0 HG22 ILE A 79 18.164 -21.617 11.624 1.00 12.45 H new ATOM 0 HG23 ILE A 79 17.109 -21.840 13.040 1.00 12.45 H new ATOM 0 HD11 ILE A 79 16.367 -26.587 12.829 1.00 33.32 H new ATOM 0 HD12 ILE A 79 16.326 -26.075 11.125 1.00 33.32 H new ATOM 0 HD13 ILE A 79 17.851 -26.004 12.040 1.00 33.32 H new ATOM 1174 N SER A 80 15.482 -21.185 8.982 1.00 75.41 N ATOM 1175 CA SER A 80 15.891 -20.310 7.890 1.00 12.31 C ATOM 1176 C SER A 80 14.803 -19.286 7.578 1.00 24.00 C ATOM 1177 O SER A 80 13.634 -19.486 7.907 1.00 62.20 O ATOM 1178 CB SER A 80 16.207 -21.132 6.639 1.00 32.25 C ATOM 1179 OG SER A 80 15.095 -21.921 6.254 1.00 72.25 O ATOM 0 H SER A 80 14.475 -21.219 9.140 1.00 75.41 H new ATOM 0 HA SER A 80 16.789 -19.777 8.202 1.00 12.31 H new ATOM 0 HB2 SER A 80 16.484 -20.465 5.822 1.00 32.25 H new ATOM 0 HB3 SER A 80 17.065 -21.776 6.830 1.00 32.25 H new ATOM 0 HG SER A 80 15.321 -22.436 5.451 1.00 72.25 H new ATOM 1185 N SER A 81 15.198 -18.188 6.941 1.00 61.42 N ATOM 1186 CA SER A 81 14.259 -17.130 6.587 1.00 70.41 C ATOM 1187 C SER A 81 14.878 -16.170 5.576 1.00 62.10 C ATOM 1188 O SER A 81 16.100 -16.097 5.440 1.00 53.34 O ATOM 1189 CB SER A 81 13.827 -16.363 7.838 1.00 23.11 C ATOM 1190 OG SER A 81 12.459 -16.003 7.768 1.00 14.43 O ATOM 0 H SER A 81 16.162 -18.008 6.660 1.00 61.42 H new ATOM 0 HA SER A 81 13.383 -17.593 6.133 1.00 70.41 H new ATOM 0 HB2 SER A 81 14.000 -16.976 8.722 1.00 23.11 H new ATOM 0 HB3 SER A 81 14.437 -15.466 7.948 1.00 23.11 H new ATOM 0 HG SER A 81 12.207 -15.515 8.580 1.00 14.43 H new ATOM 1196 N PHE A 82 14.026 -15.435 4.869 1.00 63.21 N ATOM 1197 CA PHE A 82 14.488 -14.479 3.869 1.00 21.40 C ATOM 1198 C PHE A 82 13.514 -13.312 3.742 1.00 2.42 C ATOM 1199 O PHE A 82 12.299 -13.505 3.701 1.00 40.41 O ATOM 1200 CB PHE A 82 14.655 -15.168 2.513 1.00 23.31 C ATOM 1201 CG PHE A 82 13.354 -15.445 1.817 1.00 75.12 C ATOM 1202 CD1 PHE A 82 12.397 -16.258 2.405 1.00 44.34 C ATOM 1203 CD2 PHE A 82 13.086 -14.892 0.575 1.00 73.41 C ATOM 1204 CE1 PHE A 82 11.199 -16.515 1.766 1.00 42.54 C ATOM 1205 CE2 PHE A 82 11.889 -15.145 -0.069 1.00 31.32 C ATOM 1206 CZ PHE A 82 10.944 -15.957 0.528 1.00 41.30 C ATOM 0 H PHE A 82 13.012 -15.483 4.970 1.00 63.21 H new ATOM 0 HA PHE A 82 15.453 -14.090 4.193 1.00 21.40 H new ATOM 0 HB2 PHE A 82 15.275 -14.543 1.871 1.00 23.31 H new ATOM 0 HB3 PHE A 82 15.189 -16.108 2.655 1.00 23.31 H new ATOM 0 HD1 PHE A 82 12.590 -16.695 3.373 1.00 44.34 H new ATOM 0 HD2 PHE A 82 13.821 -14.256 0.104 1.00 73.41 H new ATOM 0 HE1 PHE A 82 10.463 -17.152 2.234 1.00 42.54 H new ATOM 0 HE2 PHE A 82 11.693 -14.709 -1.037 1.00 31.32 H new ATOM 0 HZ PHE A 82 10.008 -16.155 0.028 1.00 41.30 H new ATOM 1216 N ARG A 83 14.057 -12.100 3.681 1.00 21.15 N ATOM 1217 CA ARG A 83 13.237 -10.901 3.561 1.00 2.43 C ATOM 1218 C ARG A 83 13.003 -10.546 2.096 1.00 65.44 C ATOM 1219 O ARG A 83 13.946 -10.257 1.360 1.00 44.31 O ATOM 1220 CB ARG A 83 13.904 -9.727 4.281 1.00 44.24 C ATOM 1221 CG ARG A 83 13.907 -9.862 5.794 1.00 25.45 C ATOM 1222 CD ARG A 83 12.627 -9.315 6.405 1.00 31.34 C ATOM 1223 NE ARG A 83 12.883 -8.563 7.631 1.00 51.14 N ATOM 1224 CZ ARG A 83 13.100 -9.132 8.811 1.00 65.42 C ATOM 1225 NH1 ARG A 83 13.093 -10.453 8.925 1.00 65.34 N ATOM 1226 NH2 ARG A 83 13.326 -8.380 9.880 1.00 22.13 N ATOM 0 H ARG A 83 15.061 -11.923 3.713 1.00 21.15 H new ATOM 0 HA ARG A 83 12.272 -11.103 4.026 1.00 2.43 H new ATOM 0 HB2 ARG A 83 14.932 -9.634 3.931 1.00 44.24 H new ATOM 0 HB3 ARG A 83 13.390 -8.805 4.008 1.00 44.24 H new ATOM 0 HG2 ARG A 83 14.022 -10.911 6.066 1.00 25.45 H new ATOM 0 HG3 ARG A 83 14.764 -9.330 6.206 1.00 25.45 H new ATOM 0 HD2 ARG A 83 12.127 -8.670 5.682 1.00 31.34 H new ATOM 0 HD3 ARG A 83 11.947 -10.139 6.621 1.00 31.34 H new ATOM 0 HE ARG A 83 12.896 -7.544 7.578 1.00 51.14 H new ATOM 0 HH11 ARG A 83 12.921 -11.035 8.105 1.00 65.34 H new ATOM 0 HH12 ARG A 83 13.260 -10.887 9.833 1.00 65.34 H new ATOM 0 HH21 ARG A 83 13.333 -7.363 9.796 1.00 22.13 H new ATOM 0 HH22 ARG A 83 13.493 -8.818 10.786 1.00 22.13 H new ATOM 1240 N GLN A 84 11.741 -10.573 1.680 1.00 44.22 N ATOM 1241 CA GLN A 84 11.385 -10.256 0.302 1.00 13.30 C ATOM 1242 C GLN A 84 11.292 -8.747 0.097 1.00 65.20 C ATOM 1243 O GLN A 84 10.238 -8.146 0.304 1.00 33.50 O ATOM 1244 CB GLN A 84 10.055 -10.915 -0.067 1.00 53.24 C ATOM 1245 CG GLN A 84 10.030 -12.415 0.179 1.00 13.45 C ATOM 1246 CD GLN A 84 8.911 -12.834 1.113 1.00 42.21 C ATOM 1247 OE1 GLN A 84 9.273 -13.448 2.233 1.00 0.44 O flip ATOM 1248 NE2 GLN A 84 7.734 -12.609 0.830 1.00 5.22 N flip ATOM 0 H GLN A 84 10.949 -10.811 2.277 1.00 44.22 H new ATOM 0 HA GLN A 84 12.169 -10.645 -0.348 1.00 13.30 H new ATOM 0 HB2 GLN A 84 9.256 -10.448 0.508 1.00 53.24 H new ATOM 0 HB3 GLN A 84 9.844 -10.724 -1.119 1.00 53.24 H new ATOM 0 HG2 GLN A 84 9.917 -12.934 -0.773 1.00 13.45 H new ATOM 0 HG3 GLN A 84 10.986 -12.726 0.600 1.00 13.45 H new ATOM 0 HE21 GLN A 84 7.501 -12.134 -0.042 1.00 5.22 H new ATOM 0 HE22 GLN A 84 6.992 -12.898 1.468 1.00 5.22 H new ATOM 1257 N ILE A 85 12.403 -8.142 -0.310 1.00 52.54 N ATOM 1258 CA ILE A 85 12.446 -6.703 -0.544 1.00 22.42 C ATOM 1259 C ILE A 85 12.658 -6.393 -2.022 1.00 1.44 C ATOM 1260 O ILE A 85 13.792 -6.324 -2.496 1.00 71.54 O ATOM 1261 CB ILE A 85 13.565 -6.034 0.276 1.00 51.43 C ATOM 1262 CG1 ILE A 85 14.850 -6.860 0.196 1.00 61.00 C ATOM 1263 CG2 ILE A 85 13.130 -5.859 1.723 1.00 74.40 C ATOM 1264 CD1 ILE A 85 16.097 -6.022 0.020 1.00 23.35 C ATOM 0 H ILE A 85 13.284 -8.625 -0.484 1.00 52.54 H new ATOM 0 HA ILE A 85 11.484 -6.301 -0.226 1.00 22.42 H new ATOM 0 HB ILE A 85 13.763 -5.048 -0.145 1.00 51.43 H new ATOM 0 HG12 ILE A 85 14.947 -7.455 1.104 1.00 61.00 H new ATOM 0 HG13 ILE A 85 14.772 -7.559 -0.636 1.00 61.00 H new ATOM 0 HG21 ILE A 85 13.932 -5.385 2.289 1.00 74.40 H new ATOM 0 HG22 ILE A 85 12.239 -5.233 1.762 1.00 74.40 H new ATOM 0 HG23 ILE A 85 12.907 -6.834 2.156 1.00 74.40 H new ATOM 0 HD11 ILE A 85 16.969 -6.674 -0.029 1.00 23.35 H new ATOM 0 HD12 ILE A 85 16.022 -5.447 -0.903 1.00 23.35 H new ATOM 0 HD13 ILE A 85 16.200 -5.341 0.865 1.00 23.35 H new TER 1276 ILE A 85