USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 87 LYS NZ :NH3+ -166:sc= 0.393 (180deg=0) USER MOD Set 1.2: A 88 ASN : amide:sc= 0.126 K(o=0.52,f=-5.7!) USER MOD Set 2.1: A 74 MET CE :methyl 166:sc= -0.187 (180deg=-0.532) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.136 K(o=-0.32,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 54:sc= 0.692 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -0.911 K(o=-0.91,f=-3.8!) USER MOD Single : A 20 HIS : no HE2:sc= -2.49! X(o=-2.5!,f=-2.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00527) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 35 SER OG : rot 44:sc= 0.308 USER MOD Single : A 39 THR OG1 : rot -73:sc= 0.567 USER MOD Single : A 40 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.61) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.09) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.0796 (180deg=-0.508) USER MOD Single : A 53 SER OG : rot 33:sc= 0.647 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 136:sc= 0.796 USER MOD Single : A 62 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.65) USER MOD Single : A 75 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-2.1) USER MOD Single : A 76 SER OG : rot 44:sc= -0.469 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 79 HIS : no HE2:sc= 0.772 K(o=0.77,f=-3.3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= 1.14 (180deg=-0.409) USER MOD Single : A 92 THR OG1 : rot -152:sc= -0.683 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.667 K(o=0.67,f=-0.22) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.124 17.120 -14.724 1.00 21.30 N ATOM 2 CA GLY A 1 -4.037 17.218 -15.710 1.00 22.76 C ATOM 3 C GLY A 1 -3.727 18.680 -15.971 1.00 23.23 C ATOM 4 O GLY A 1 -4.592 19.385 -16.476 1.00 23.86 O ATOM 0 H1 GLY A 1 -5.339 16.119 -14.543 1.00 21.30 H new ATOM 0 H2 GLY A 1 -4.831 17.577 -13.837 1.00 21.30 H new ATOM 0 H3 GLY A 1 -5.972 17.595 -15.094 1.00 21.30 H new ATOM 0 HA2 GLY A 1 -3.148 16.706 -15.341 1.00 22.76 H new ATOM 0 HA3 GLY A 1 -4.327 16.725 -16.638 1.00 22.76 H new ATOM 10 N SER A 2 -2.538 19.148 -15.584 1.00 23.04 N ATOM 11 CA SER A 2 -2.043 20.489 -15.874 1.00 23.61 C ATOM 12 C SER A 2 -0.616 20.587 -15.345 1.00 23.60 C ATOM 13 O SER A 2 0.330 20.375 -16.095 1.00 24.83 O ATOM 14 CB SER A 2 -2.930 21.581 -15.252 1.00 23.20 C ATOM 15 OG SER A 2 -3.866 22.066 -16.186 1.00 24.16 O ATOM 0 H SER A 2 -1.878 18.587 -15.046 1.00 23.04 H new ATOM 0 HA SER A 2 -2.065 20.654 -16.951 1.00 23.61 H new ATOM 0 HB2 SER A 2 -3.452 21.179 -14.384 1.00 23.20 H new ATOM 0 HB3 SER A 2 -2.307 22.402 -14.897 1.00 23.20 H new ATOM 0 HG SER A 2 -4.378 21.316 -16.555 1.00 24.16 H new ATOM 21 N LYS A 3 -0.454 20.915 -14.062 1.00 22.40 N ATOM 22 CA LYS A 3 0.841 21.111 -13.429 1.00 22.35 C ATOM 23 C LYS A 3 0.643 21.072 -11.918 1.00 20.28 C ATOM 24 O LYS A 3 -0.499 21.099 -11.462 1.00 19.44 O ATOM 25 CB LYS A 3 1.442 22.449 -13.886 1.00 24.23 C ATOM 26 CG LYS A 3 0.622 23.666 -13.424 1.00 24.11 C ATOM 27 CD LYS A 3 0.925 24.887 -14.301 1.00 26.36 C ATOM 28 CE LYS A 3 0.188 24.807 -15.647 1.00 27.58 C ATOM 29 NZ LYS A 3 -1.246 25.161 -15.525 1.00 28.00 N ATOM 0 H LYS A 3 -1.239 21.053 -13.425 1.00 22.40 H new ATOM 0 HA LYS A 3 1.538 20.323 -13.716 1.00 22.35 H new ATOM 0 HB2 LYS A 3 2.458 22.535 -13.501 1.00 24.23 H new ATOM 0 HB3 LYS A 3 1.512 22.457 -14.974 1.00 24.23 H new ATOM 0 HG2 LYS A 3 -0.442 23.433 -13.471 1.00 24.11 H new ATOM 0 HG3 LYS A 3 0.853 23.893 -12.383 1.00 24.11 H new ATOM 0 HD2 LYS A 3 0.630 25.796 -13.776 1.00 26.36 H new ATOM 0 HD3 LYS A 3 1.999 24.954 -14.476 1.00 26.36 H new ATOM 0 HE2 LYS A 3 0.666 25.478 -16.361 1.00 27.58 H new ATOM 0 HE3 LYS A 3 0.278 23.798 -16.049 1.00 27.58 H new ATOM 0 HZ1 LYS A 3 -1.701 25.093 -16.458 1.00 28.00 H new ATOM 0 HZ2 LYS A 3 -1.710 24.506 -14.864 1.00 28.00 H new ATOM 0 HZ3 LYS A 3 -1.334 26.134 -15.167 1.00 28.00 H new ATOM 43 N GLY A 4 1.739 21.042 -11.162 1.00 19.70 N ATOM 44 CA GLY A 4 1.704 20.865 -9.720 1.00 17.91 C ATOM 45 C GLY A 4 2.074 19.430 -9.399 1.00 17.07 C ATOM 46 O GLY A 4 1.672 18.517 -10.118 1.00 17.66 O ATOM 0 H GLY A 4 2.681 21.141 -11.540 1.00 19.70 H new ATOM 0 HA2 GLY A 4 2.400 21.552 -9.238 1.00 17.91 H new ATOM 0 HA3 GLY A 4 0.711 21.095 -9.335 1.00 17.91 H new ATOM 50 N VAL A 5 2.850 19.236 -8.335 1.00 15.96 N ATOM 51 CA VAL A 5 3.209 17.926 -7.850 1.00 15.23 C ATOM 52 C VAL A 5 2.397 17.643 -6.595 1.00 12.93 C ATOM 53 O VAL A 5 1.389 18.307 -6.359 1.00 12.13 O ATOM 54 CB VAL A 5 4.724 17.865 -7.634 1.00 15.82 C ATOM 55 CG1 VAL A 5 5.425 18.136 -8.968 1.00 18.15 C ATOM 56 CG2 VAL A 5 5.289 18.848 -6.601 1.00 14.85 C ATOM 0 H VAL A 5 3.246 19.999 -7.786 1.00 15.96 H new ATOM 0 HA VAL A 5 2.972 17.144 -8.572 1.00 15.23 H new ATOM 0 HB VAL A 5 4.914 16.867 -7.240 1.00 15.82 H new ATOM 0 HG11 VAL A 5 6.505 18.095 -8.826 1.00 18.15 H new ATOM 0 HG12 VAL A 5 5.126 17.382 -9.696 1.00 18.15 H new ATOM 0 HG13 VAL A 5 5.144 19.124 -9.333 1.00 18.15 H new ATOM 0 HG21 VAL A 5 6.369 18.719 -6.528 1.00 14.85 H new ATOM 0 HG22 VAL A 5 5.066 19.869 -6.910 1.00 14.85 H new ATOM 0 HG23 VAL A 5 4.834 18.656 -5.629 1.00 14.85 H new ATOM 66 N GLU A 6 2.805 16.671 -5.784 1.00 12.10 N ATOM 67 CA GLU A 6 2.179 16.501 -4.489 1.00 9.96 C ATOM 68 C GLU A 6 2.765 17.523 -3.521 1.00 8.62 C ATOM 69 O GLU A 6 3.979 17.697 -3.441 1.00 9.09 O ATOM 70 CB GLU A 6 2.305 15.038 -4.026 1.00 10.23 C ATOM 71 CG GLU A 6 3.653 14.688 -3.374 1.00 11.39 C ATOM 72 CD GLU A 6 3.749 15.126 -1.900 1.00 10.97 C ATOM 73 OE1 GLU A 6 2.728 15.625 -1.363 1.00 10.19 O ATOM 74 OE2 GLU A 6 4.844 14.954 -1.319 1.00 11.87 O ATOM 0 H GLU A 6 3.549 16.007 -5.998 1.00 12.10 H new ATOM 0 HA GLU A 6 1.108 16.695 -4.538 1.00 9.96 H new ATOM 0 HB2 GLU A 6 1.506 14.825 -3.315 1.00 10.23 H new ATOM 0 HB3 GLU A 6 2.151 14.384 -4.884 1.00 10.23 H new ATOM 0 HG2 GLU A 6 3.810 13.611 -3.437 1.00 11.39 H new ATOM 0 HG3 GLU A 6 4.456 15.161 -3.939 1.00 11.39 H new ATOM 81 N LEU A 7 1.884 18.253 -2.842 1.00 7.21 N ATOM 82 CA LEU A 7 2.221 19.173 -1.779 1.00 6.08 C ATOM 83 C LEU A 7 0.972 19.446 -0.939 1.00 4.15 C ATOM 84 O LEU A 7 0.744 20.566 -0.488 1.00 4.43 O ATOM 85 CB LEU A 7 2.819 20.454 -2.380 1.00 7.60 C ATOM 86 CG LEU A 7 2.142 21.072 -3.628 1.00 9.33 C ATOM 87 CD1 LEU A 7 3.025 20.896 -4.863 1.00 10.97 C ATOM 88 CD2 LEU A 7 0.714 20.669 -4.008 1.00 9.46 C ATOM 0 H LEU A 7 0.882 18.213 -3.030 1.00 7.21 H new ATOM 0 HA LEU A 7 2.975 18.744 -1.119 1.00 6.08 H new ATOM 0 HB2 LEU A 7 2.829 21.213 -1.598 1.00 7.60 H new ATOM 0 HB3 LEU A 7 3.858 20.246 -2.636 1.00 7.60 H new ATOM 0 HG LEU A 7 2.032 22.104 -3.296 1.00 9.33 H new ATOM 0 HD11 LEU A 7 2.531 21.337 -5.729 1.00 10.97 H new ATOM 0 HD12 LEU A 7 3.982 21.391 -4.700 1.00 10.97 H new ATOM 0 HD13 LEU A 7 3.192 19.834 -5.042 1.00 10.97 H new ATOM 0 HD21 LEU A 7 0.412 21.205 -4.908 1.00 9.46 H new ATOM 0 HD22 LEU A 7 0.676 19.596 -4.195 1.00 9.46 H new ATOM 0 HD23 LEU A 7 0.036 20.919 -3.192 1.00 9.46 H new ATOM 100 N ARG A 8 0.125 18.429 -0.750 1.00 3.05 N ATOM 101 CA ARG A 8 -1.150 18.562 -0.066 1.00 1.89 C ATOM 102 C ARG A 8 -1.409 17.310 0.753 1.00 1.61 C ATOM 103 O ARG A 8 -1.943 16.344 0.224 1.00 1.41 O ATOM 104 CB ARG A 8 -2.295 18.787 -1.075 1.00 3.29 C ATOM 105 CG ARG A 8 -2.461 20.257 -1.474 1.00 4.07 C ATOM 106 CD ARG A 8 -3.290 21.033 -0.444 1.00 5.31 C ATOM 107 NE ARG A 8 -4.716 21.062 -0.807 1.00 6.83 N ATOM 108 CZ ARG A 8 -5.625 21.883 -0.265 1.00 8.30 C ATOM 109 NH1 ARG A 8 -5.304 22.625 0.796 1.00 8.60 N ATOM 110 NH2 ARG A 8 -6.847 21.973 -0.790 1.00 9.77 N ATOM 0 H ARG A 8 0.315 17.481 -1.075 1.00 3.05 H new ATOM 0 HA ARG A 8 -1.110 19.429 0.593 1.00 1.89 H new ATOM 0 HB2 ARG A 8 -2.106 18.193 -1.969 1.00 3.29 H new ATOM 0 HB3 ARG A 8 -3.228 18.426 -0.643 1.00 3.29 H new ATOM 0 HG2 ARG A 8 -1.479 20.720 -1.575 1.00 4.07 H new ATOM 0 HG3 ARG A 8 -2.943 20.317 -2.450 1.00 4.07 H new ATOM 0 HD2 ARG A 8 -3.173 20.574 0.538 1.00 5.31 H new ATOM 0 HD3 ARG A 8 -2.913 22.053 -0.366 1.00 5.31 H new ATOM 0 HE ARG A 8 -5.035 20.410 -1.523 1.00 6.83 H new ATOM 0 HH11 ARG A 8 -4.367 22.567 1.194 1.00 8.60 H new ATOM 0 HH12 ARG A 8 -5.996 23.250 1.209 1.00 8.60 H new ATOM 0 HH21 ARG A 8 -7.093 21.415 -1.608 1.00 9.77 H new ATOM 0 HH22 ARG A 8 -7.536 22.600 -0.374 1.00 9.77 H new ATOM 124 N ASN A 9 -1.119 17.354 2.055 1.00 1.66 N ATOM 125 CA ASN A 9 -1.447 16.272 2.980 1.00 1.55 C ATOM 126 C ASN A 9 -2.906 15.867 2.904 1.00 1.24 C ATOM 127 O ASN A 9 -3.235 14.712 3.137 1.00 1.13 O ATOM 128 CB ASN A 9 -1.151 16.693 4.424 1.00 1.79 C ATOM 129 CG ASN A 9 0.218 16.204 4.867 1.00 2.15 C ATOM 130 OD1 ASN A 9 1.230 16.742 4.440 1.00 2.80 O ATOM 131 ND2 ASN A 9 0.279 15.188 5.717 1.00 2.44 N ATOM 0 H ASN A 9 -0.649 18.144 2.497 1.00 1.66 H new ATOM 0 HA ASN A 9 -0.829 15.423 2.687 1.00 1.55 H new ATOM 0 HB2 ASN A 9 -1.197 17.779 4.506 1.00 1.79 H new ATOM 0 HB3 ASN A 9 -1.917 16.291 5.088 1.00 1.79 H new ATOM 0 HD21 ASN A 9 1.185 14.838 6.029 1.00 2.44 H new ATOM 0 HD22 ASN A 9 -0.580 14.756 6.058 1.00 2.44 H new ATOM 138 N ASP A 10 -3.783 16.826 2.639 1.00 1.17 N ATOM 139 CA ASP A 10 -5.199 16.579 2.461 1.00 1.00 C ATOM 140 C ASP A 10 -5.439 15.599 1.314 1.00 0.78 C ATOM 141 O ASP A 10 -6.062 14.562 1.508 1.00 0.71 O ATOM 142 CB ASP A 10 -5.864 17.934 2.238 1.00 1.22 C ATOM 143 CG ASP A 10 -7.255 17.803 1.627 1.00 1.43 C ATOM 144 OD1 ASP A 10 -8.170 17.400 2.374 1.00 1.52 O ATOM 145 OD2 ASP A 10 -7.363 18.119 0.419 1.00 2.42 O ATOM 0 H ASP A 10 -3.523 17.808 2.541 1.00 1.17 H new ATOM 0 HA ASP A 10 -5.636 16.105 3.340 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -5.936 18.462 3.189 1.00 1.22 H new ATOM 0 HB3 ASP A 10 -5.238 18.540 1.583 1.00 1.22 H new ATOM 150 N SER A 11 -4.917 15.892 0.126 1.00 0.85 N ATOM 151 CA SER A 11 -5.146 15.085 -1.063 1.00 0.83 C ATOM 152 C SER A 11 -4.441 13.731 -0.945 1.00 0.70 C ATOM 153 O SER A 11 -5.018 12.672 -1.199 1.00 0.60 O ATOM 154 CB SER A 11 -4.618 15.873 -2.263 1.00 1.17 C ATOM 155 OG SER A 11 -5.162 17.183 -2.246 1.00 1.57 O ATOM 0 H SER A 11 -4.319 16.702 -0.037 1.00 0.85 H new ATOM 0 HA SER A 11 -6.210 14.880 -1.184 1.00 0.83 H new ATOM 0 HB2 SER A 11 -3.529 15.919 -2.230 1.00 1.17 H new ATOM 0 HB3 SER A 11 -4.888 15.368 -3.190 1.00 1.17 H new ATOM 0 HG SER A 11 -4.822 17.688 -3.014 1.00 1.57 H new ATOM 161 N GLU A 12 -3.173 13.789 -0.552 1.00 0.83 N ATOM 162 CA GLU A 12 -2.256 12.668 -0.430 1.00 0.86 C ATOM 163 C GLU A 12 -2.718 11.741 0.702 1.00 0.75 C ATOM 164 O GLU A 12 -2.549 10.522 0.659 1.00 0.80 O ATOM 165 CB GLU A 12 -0.860 13.265 -0.180 1.00 1.17 C ATOM 166 CG GLU A 12 0.289 12.287 -0.428 1.00 2.05 C ATOM 167 CD GLU A 12 0.453 11.902 -1.903 1.00 3.66 C ATOM 168 OE1 GLU A 12 -0.390 12.314 -2.730 1.00 4.96 O ATOM 169 OE2 GLU A 12 1.390 11.113 -2.164 1.00 4.56 O ATOM 0 H GLU A 12 -2.735 14.674 -0.296 1.00 0.83 H new ATOM 0 HA GLU A 12 -2.229 12.055 -1.331 1.00 0.86 H new ATOM 0 HB2 GLU A 12 -0.728 14.135 -0.823 1.00 1.17 H new ATOM 0 HB3 GLU A 12 -0.807 13.619 0.850 1.00 1.17 H new ATOM 0 HG2 GLU A 12 1.218 12.731 -0.071 1.00 2.05 H new ATOM 0 HG3 GLU A 12 0.121 11.384 0.159 1.00 2.05 H new ATOM 176 N GLY A 13 -3.359 12.326 1.712 1.00 0.72 N ATOM 177 CA GLY A 13 -4.044 11.608 2.766 1.00 0.72 C ATOM 178 C GLY A 13 -5.317 10.968 2.229 1.00 0.60 C ATOM 179 O GLY A 13 -5.593 9.812 2.530 1.00 0.59 O ATOM 0 H GLY A 13 -3.413 13.339 1.816 1.00 0.72 H new ATOM 0 HA2 GLY A 13 -3.389 10.840 3.178 1.00 0.72 H new ATOM 0 HA3 GLY A 13 -4.287 12.290 3.581 1.00 0.72 H new ATOM 183 N PHE A 14 -6.090 11.684 1.411 1.00 0.56 N ATOM 184 CA PHE A 14 -7.381 11.219 0.921 1.00 0.54 C ATOM 185 C PHE A 14 -7.229 9.870 0.229 1.00 0.45 C ATOM 186 O PHE A 14 -7.917 8.910 0.560 1.00 0.50 O ATOM 187 CB PHE A 14 -8.014 12.260 -0.019 1.00 0.58 C ATOM 188 CG PHE A 14 -9.480 12.506 0.262 1.00 0.98 C ATOM 189 CD1 PHE A 14 -9.855 13.088 1.485 1.00 2.75 C ATOM 190 CD2 PHE A 14 -10.462 12.172 -0.688 1.00 1.63 C ATOM 191 CE1 PHE A 14 -11.211 13.322 1.768 1.00 3.46 C ATOM 192 CE2 PHE A 14 -11.819 12.412 -0.407 1.00 1.87 C ATOM 193 CZ PHE A 14 -12.194 12.983 0.822 1.00 2.49 C ATOM 0 H PHE A 14 -5.832 12.610 1.069 1.00 0.56 H new ATOM 0 HA PHE A 14 -8.051 11.090 1.771 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -7.471 13.200 0.073 1.00 0.58 H new ATOM 0 HB3 PHE A 14 -7.900 11.925 -1.050 1.00 0.58 H new ATOM 0 HD1 PHE A 14 -9.099 13.356 2.209 1.00 2.75 H new ATOM 0 HD2 PHE A 14 -10.174 11.732 -1.631 1.00 1.63 H new ATOM 0 HE1 PHE A 14 -11.498 13.762 2.712 1.00 3.46 H new ATOM 0 HE2 PHE A 14 -12.574 12.157 -1.136 1.00 1.87 H new ATOM 0 HZ PHE A 14 -13.237 13.161 1.039 1.00 2.49 H new ATOM 203 N ILE A 15 -6.312 9.784 -0.731 1.00 0.38 N ATOM 204 CA ILE A 15 -6.032 8.538 -1.437 1.00 0.36 C ATOM 205 C ILE A 15 -5.476 7.441 -0.514 1.00 0.33 C ATOM 206 O ILE A 15 -5.762 6.267 -0.741 1.00 0.35 O ATOM 207 CB ILE A 15 -5.085 8.769 -2.608 1.00 0.37 C ATOM 208 CG1 ILE A 15 -3.756 9.267 -2.059 1.00 0.35 C ATOM 209 CG2 ILE A 15 -5.698 9.680 -3.666 1.00 0.50 C ATOM 210 CD1 ILE A 15 -2.952 10.175 -2.976 1.00 0.48 C ATOM 0 H ILE A 15 -5.744 10.573 -1.040 1.00 0.38 H new ATOM 0 HA ILE A 15 -6.990 8.184 -1.819 1.00 0.36 H new ATOM 0 HB ILE A 15 -4.903 7.833 -3.135 1.00 0.37 H new ATOM 0 HG12 ILE A 15 -3.948 9.802 -1.129 1.00 0.35 H new ATOM 0 HG13 ILE A 15 -3.142 8.402 -1.809 1.00 0.35 H new ATOM 0 HG21 ILE A 15 -4.989 9.818 -4.482 1.00 0.50 H new ATOM 0 HG22 ILE A 15 -6.612 9.227 -4.051 1.00 0.50 H new ATOM 0 HG23 ILE A 15 -5.932 10.647 -3.222 1.00 0.50 H new ATOM 0 HD11 ILE A 15 -2.026 10.466 -2.479 1.00 0.48 H new ATOM 0 HD12 ILE A 15 -2.717 9.644 -3.899 1.00 0.48 H new ATOM 0 HD13 ILE A 15 -3.535 11.066 -3.208 1.00 0.48 H new ATOM 222 N HIS A 16 -4.652 7.788 0.486 1.00 0.33 N ATOM 223 CA HIS A 16 -4.115 6.820 1.443 1.00 0.32 C ATOM 224 C HIS A 16 -5.309 6.129 2.102 1.00 0.35 C ATOM 225 O HIS A 16 -5.443 4.907 2.086 1.00 0.34 O ATOM 226 CB HIS A 16 -3.228 7.547 2.474 1.00 0.39 C ATOM 227 CG HIS A 16 -2.747 6.740 3.661 1.00 0.39 C ATOM 228 ND1 HIS A 16 -1.431 6.630 4.056 1.00 0.47 N ATOM 229 CD2 HIS A 16 -3.518 6.159 4.635 1.00 0.47 C ATOM 230 CE1 HIS A 16 -1.401 5.985 5.238 1.00 0.48 C ATOM 231 NE2 HIS A 16 -2.659 5.685 5.609 1.00 0.49 N ATOM 0 H HIS A 16 -4.342 8.746 0.650 1.00 0.33 H new ATOM 0 HA HIS A 16 -3.488 6.074 0.955 1.00 0.32 H new ATOM 0 HB2 HIS A 16 -2.353 7.936 1.953 1.00 0.39 H new ATOM 0 HB3 HIS A 16 -3.783 8.406 2.851 1.00 0.39 H new ATOM 0 HD1 HIS A 16 -0.621 6.977 3.542 1.00 0.47 H new ATOM 0 HD2 HIS A 16 -4.595 6.085 4.640 1.00 0.47 H new ATOM 0 HE1 HIS A 16 -0.509 5.747 5.799 1.00 0.48 H new ATOM 240 N GLU A 17 -6.179 6.930 2.717 1.00 0.43 N ATOM 241 CA GLU A 17 -7.351 6.452 3.428 1.00 0.52 C ATOM 242 C GLU A 17 -8.262 5.678 2.491 1.00 0.53 C ATOM 243 O GLU A 17 -8.756 4.632 2.888 1.00 0.57 O ATOM 244 CB GLU A 17 -8.086 7.611 4.106 1.00 0.63 C ATOM 245 CG GLU A 17 -7.304 8.058 5.345 1.00 0.78 C ATOM 246 CD GLU A 17 -8.072 9.114 6.137 1.00 1.19 C ATOM 247 OE1 GLU A 17 -9.098 8.730 6.742 1.00 1.82 O ATOM 248 OE2 GLU A 17 -7.617 10.278 6.137 1.00 2.17 O ATOM 0 H GLU A 17 -6.082 7.945 2.732 1.00 0.43 H new ATOM 0 HA GLU A 17 -7.028 5.769 4.214 1.00 0.52 H new ATOM 0 HB2 GLU A 17 -8.193 8.444 3.411 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -9.092 7.301 4.390 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -7.105 7.196 5.982 1.00 0.78 H new ATOM 0 HG3 GLU A 17 -6.337 8.460 5.042 1.00 0.78 H new ATOM 255 N PHE A 18 -8.446 6.133 1.251 1.00 0.54 N ATOM 256 CA PHE A 18 -9.228 5.422 0.245 1.00 0.64 C ATOM 257 C PHE A 18 -8.732 3.994 0.104 1.00 0.59 C ATOM 258 O PHE A 18 -9.537 3.067 0.139 1.00 0.65 O ATOM 259 CB PHE A 18 -9.172 6.136 -1.111 1.00 0.70 C ATOM 260 CG PHE A 18 -10.455 6.833 -1.499 1.00 1.36 C ATOM 261 CD1 PHE A 18 -11.591 6.064 -1.812 1.00 1.99 C ATOM 262 CD2 PHE A 18 -10.513 8.236 -1.577 1.00 2.69 C ATOM 263 CE1 PHE A 18 -12.783 6.696 -2.207 1.00 2.52 C ATOM 264 CE2 PHE A 18 -11.705 8.866 -1.977 1.00 3.36 C ATOM 265 CZ PHE A 18 -12.838 8.098 -2.291 1.00 2.89 C ATOM 0 H PHE A 18 -8.052 7.012 0.916 1.00 0.54 H new ATOM 0 HA PHE A 18 -10.266 5.408 0.577 1.00 0.64 H new ATOM 0 HB2 PHE A 18 -8.366 6.869 -1.090 1.00 0.70 H new ATOM 0 HB3 PHE A 18 -8.920 5.408 -1.882 1.00 0.70 H new ATOM 0 HD1 PHE A 18 -11.547 4.987 -1.749 1.00 1.99 H new ATOM 0 HD2 PHE A 18 -9.644 8.828 -1.330 1.00 2.69 H new ATOM 0 HE1 PHE A 18 -13.655 6.105 -2.446 1.00 2.52 H new ATOM 0 HE2 PHE A 18 -11.749 9.943 -2.043 1.00 3.36 H new ATOM 0 HZ PHE A 18 -13.752 8.585 -2.597 1.00 2.89 H new ATOM 275 N GLY A 19 -7.416 3.805 -0.036 1.00 0.51 N ATOM 276 CA GLY A 19 -6.831 2.472 -0.069 1.00 0.51 C ATOM 277 C GLY A 19 -7.353 1.625 1.087 1.00 0.44 C ATOM 278 O GLY A 19 -7.784 0.490 0.897 1.00 0.47 O ATOM 0 H GLY A 19 -6.740 4.563 -0.128 1.00 0.51 H new ATOM 0 HA2 GLY A 19 -7.069 1.989 -1.017 1.00 0.51 H new ATOM 0 HA3 GLY A 19 -5.745 2.545 -0.012 1.00 0.51 H new ATOM 282 N HIS A 20 -7.353 2.191 2.294 1.00 0.38 N ATOM 283 CA HIS A 20 -7.834 1.498 3.479 1.00 0.37 C ATOM 284 C HIS A 20 -9.333 1.203 3.392 1.00 0.47 C ATOM 285 O HIS A 20 -9.762 0.108 3.730 1.00 0.52 O ATOM 286 CB HIS A 20 -7.494 2.325 4.728 1.00 0.47 C ATOM 287 CG HIS A 20 -7.332 1.516 5.991 1.00 0.57 C ATOM 288 ND1 HIS A 20 -6.434 1.798 7.004 1.00 0.55 N ATOM 289 CD2 HIS A 20 -8.016 0.381 6.334 1.00 1.68 C ATOM 290 CE1 HIS A 20 -6.574 0.848 7.946 1.00 0.89 C ATOM 291 NE2 HIS A 20 -7.538 -0.015 7.565 1.00 1.83 N ATOM 0 H HIS A 20 -7.020 3.139 2.473 1.00 0.38 H new ATOM 0 HA HIS A 20 -7.332 0.533 3.548 1.00 0.37 H new ATOM 0 HB2 HIS A 20 -6.571 2.875 4.543 1.00 0.47 H new ATOM 0 HB3 HIS A 20 -8.280 3.064 4.884 1.00 0.47 H new ATOM 0 HD1 HIS A 20 -5.784 2.583 7.032 1.00 0.55 H new ATOM 0 HD2 HIS A 20 -8.782 -0.110 5.752 1.00 1.68 H new ATOM 0 HE1 HIS A 20 -6.005 0.786 8.862 1.00 0.89 H new ATOM 300 N ALA A 21 -10.155 2.156 2.963 1.00 0.60 N ATOM 301 CA ALA A 21 -11.590 1.949 2.868 1.00 0.78 C ATOM 302 C ALA A 21 -11.890 0.823 1.877 1.00 0.85 C ATOM 303 O ALA A 21 -12.839 0.065 2.054 1.00 0.97 O ATOM 304 CB ALA A 21 -12.271 3.257 2.457 1.00 0.92 C ATOM 0 H ALA A 21 -9.846 3.084 2.675 1.00 0.60 H new ATOM 0 HA ALA A 21 -11.986 1.651 3.839 1.00 0.78 H new ATOM 0 HB1 ALA A 21 -13.347 3.100 2.386 1.00 0.92 H new ATOM 0 HB2 ALA A 21 -12.064 4.025 3.203 1.00 0.92 H new ATOM 0 HB3 ALA A 21 -11.887 3.579 1.489 1.00 0.92 H new ATOM 310 N VAL A 22 -11.069 0.680 0.838 1.00 0.84 N ATOM 311 CA VAL A 22 -11.246 -0.417 -0.098 1.00 0.96 C ATOM 312 C VAL A 22 -10.835 -1.718 0.570 1.00 0.83 C ATOM 313 O VAL A 22 -11.485 -2.740 0.370 1.00 0.86 O ATOM 314 CB VAL A 22 -10.480 -0.137 -1.402 1.00 1.11 C ATOM 315 CG1 VAL A 22 -10.482 -1.343 -2.348 1.00 1.22 C ATOM 316 CG2 VAL A 22 -11.127 1.046 -2.132 1.00 1.31 C ATOM 0 H VAL A 22 -10.288 1.302 0.629 1.00 0.84 H new ATOM 0 HA VAL A 22 -12.296 -0.512 -0.376 1.00 0.96 H new ATOM 0 HB VAL A 22 -9.449 0.084 -1.127 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.929 -1.096 -3.254 1.00 1.22 H new ATOM 0 HG12 VAL A 22 -10.010 -2.193 -1.855 1.00 1.22 H new ATOM 0 HG13 VAL A 22 -11.509 -1.599 -2.608 1.00 1.22 H new ATOM 0 HG21 VAL A 22 -10.584 1.244 -3.056 1.00 1.31 H new ATOM 0 HG22 VAL A 22 -12.164 0.806 -2.365 1.00 1.31 H new ATOM 0 HG23 VAL A 22 -11.093 1.930 -1.495 1.00 1.31 H new ATOM 326 N ASP A 23 -9.800 -1.670 1.405 1.00 0.72 N ATOM 327 CA ASP A 23 -9.371 -2.797 2.216 1.00 0.65 C ATOM 328 C ASP A 23 -10.498 -3.296 3.117 1.00 0.56 C ATOM 329 O ASP A 23 -10.543 -4.470 3.478 1.00 0.56 O ATOM 330 CB ASP A 23 -8.143 -2.382 3.045 1.00 0.72 C ATOM 331 CG ASP A 23 -7.141 -3.503 3.287 1.00 0.83 C ATOM 332 OD1 ASP A 23 -7.343 -4.603 2.734 1.00 1.79 O ATOM 333 OD2 ASP A 23 -6.179 -3.237 4.042 1.00 2.03 O ATOM 0 H ASP A 23 -9.231 -0.834 1.536 1.00 0.72 H new ATOM 0 HA ASP A 23 -9.100 -3.624 1.559 1.00 0.65 H new ATOM 0 HB2 ASP A 23 -7.637 -1.562 2.536 1.00 0.72 H new ATOM 0 HB3 ASP A 23 -8.482 -2.000 4.008 1.00 0.72 H new ATOM 338 N ASP A 24 -11.422 -2.401 3.472 1.00 0.59 N ATOM 339 CA ASP A 24 -12.528 -2.719 4.355 1.00 0.63 C ATOM 340 C ASP A 24 -13.518 -3.609 3.612 1.00 0.67 C ATOM 341 O ASP A 24 -13.816 -4.726 4.029 1.00 0.62 O ATOM 342 CB ASP A 24 -13.205 -1.439 4.858 1.00 0.83 C ATOM 343 CG ASP A 24 -14.133 -1.748 6.027 1.00 1.09 C ATOM 344 OD1 ASP A 24 -13.607 -1.806 7.160 1.00 1.98 O ATOM 345 OD2 ASP A 24 -15.346 -1.901 5.771 1.00 1.73 O ATOM 0 H ASP A 24 -11.417 -1.433 3.150 1.00 0.59 H new ATOM 0 HA ASP A 24 -12.154 -3.254 5.228 1.00 0.63 H new ATOM 0 HB2 ASP A 24 -12.448 -0.718 5.168 1.00 0.83 H new ATOM 0 HB3 ASP A 24 -13.771 -0.978 4.049 1.00 0.83 H new ATOM 350 N TYR A 25 -13.990 -3.124 2.460 1.00 0.86 N ATOM 351 CA TYR A 25 -14.992 -3.827 1.670 1.00 1.08 C ATOM 352 C TYR A 25 -14.415 -5.140 1.172 1.00 0.98 C ATOM 353 O TYR A 25 -14.970 -6.207 1.419 1.00 0.96 O ATOM 354 CB TYR A 25 -15.471 -2.953 0.506 1.00 1.51 C ATOM 355 CG TYR A 25 -16.619 -3.591 -0.247 1.00 1.51 C ATOM 356 CD1 TYR A 25 -17.862 -3.739 0.396 1.00 2.01 C ATOM 357 CD2 TYR A 25 -16.441 -4.087 -1.553 1.00 1.97 C ATOM 358 CE1 TYR A 25 -18.927 -4.383 -0.253 1.00 1.96 C ATOM 359 CE2 TYR A 25 -17.507 -4.724 -2.215 1.00 2.40 C ATOM 360 CZ TYR A 25 -18.753 -4.876 -1.568 1.00 1.99 C ATOM 361 OH TYR A 25 -19.771 -5.515 -2.212 1.00 2.37 O ATOM 0 H TYR A 25 -13.687 -2.238 2.055 1.00 0.86 H new ATOM 0 HA TYR A 25 -15.858 -4.043 2.295 1.00 1.08 H new ATOM 0 HB2 TYR A 25 -15.783 -1.981 0.887 1.00 1.51 H new ATOM 0 HB3 TYR A 25 -14.642 -2.775 -0.179 1.00 1.51 H new ATOM 0 HD1 TYR A 25 -17.997 -3.354 1.396 1.00 2.01 H new ATOM 0 HD2 TYR A 25 -15.486 -3.979 -2.046 1.00 1.97 H new ATOM 0 HE1 TYR A 25 -19.876 -4.502 0.249 1.00 1.96 H new ATOM 0 HE2 TYR A 25 -17.372 -5.097 -3.219 1.00 2.40 H new ATOM 0 HH TYR A 25 -19.474 -5.785 -3.106 1.00 2.37 H new ATOM 371 N ALA A 26 -13.277 -5.070 0.490 1.00 1.13 N ATOM 372 CA ALA A 26 -12.582 -6.251 0.023 1.00 1.30 C ATOM 373 C ALA A 26 -12.294 -7.214 1.173 1.00 1.13 C ATOM 374 O ALA A 26 -12.346 -8.413 0.957 1.00 1.26 O ATOM 375 CB ALA A 26 -11.317 -5.838 -0.719 1.00 1.69 C ATOM 0 H ALA A 26 -12.816 -4.193 0.249 1.00 1.13 H new ATOM 0 HA ALA A 26 -13.221 -6.792 -0.675 1.00 1.30 H new ATOM 0 HB1 ALA A 26 -10.794 -6.728 -1.070 1.00 1.69 H new ATOM 0 HB2 ALA A 26 -11.583 -5.213 -1.572 1.00 1.69 H new ATOM 0 HB3 ALA A 26 -10.667 -5.277 -0.047 1.00 1.69 H new ATOM 381 N GLY A 27 -12.030 -6.730 2.386 1.00 0.99 N ATOM 382 CA GLY A 27 -11.784 -7.598 3.526 1.00 1.14 C ATOM 383 C GLY A 27 -13.043 -8.349 3.937 1.00 1.09 C ATOM 384 O GLY A 27 -12.978 -9.507 4.341 1.00 1.46 O ATOM 0 H GLY A 27 -11.982 -5.734 2.600 1.00 0.99 H new ATOM 0 HA2 GLY A 27 -10.998 -8.311 3.279 1.00 1.14 H new ATOM 0 HA3 GLY A 27 -11.423 -7.004 4.366 1.00 1.14 H new ATOM 388 N TYR A 28 -14.192 -7.680 3.875 1.00 0.86 N ATOM 389 CA TYR A 28 -15.461 -8.260 4.282 1.00 1.04 C ATOM 390 C TYR A 28 -15.887 -9.345 3.292 1.00 1.07 C ATOM 391 O TYR A 28 -16.349 -10.413 3.683 1.00 1.36 O ATOM 392 CB TYR A 28 -16.514 -7.147 4.411 1.00 1.14 C ATOM 393 CG TYR A 28 -17.331 -7.257 5.679 1.00 1.63 C ATOM 394 CD1 TYR A 28 -18.456 -8.101 5.730 1.00 1.80 C ATOM 395 CD2 TYR A 28 -16.943 -6.531 6.819 1.00 2.08 C ATOM 396 CE1 TYR A 28 -19.205 -8.208 6.915 1.00 2.29 C ATOM 397 CE2 TYR A 28 -17.682 -6.636 8.009 1.00 2.61 C ATOM 398 CZ TYR A 28 -18.820 -7.471 8.062 1.00 2.68 C ATOM 399 OH TYR A 28 -19.533 -7.560 9.220 1.00 3.21 O ATOM 0 H TYR A 28 -14.265 -6.719 3.540 1.00 0.86 H new ATOM 0 HA TYR A 28 -15.357 -8.738 5.256 1.00 1.04 H new ATOM 0 HB2 TYR A 28 -16.016 -6.178 4.388 1.00 1.14 H new ATOM 0 HB3 TYR A 28 -17.181 -7.183 3.550 1.00 1.14 H new ATOM 0 HD1 TYR A 28 -18.745 -8.668 4.857 1.00 1.80 H new ATOM 0 HD2 TYR A 28 -16.074 -5.891 6.780 1.00 2.08 H new ATOM 0 HE1 TYR A 28 -20.072 -8.851 6.951 1.00 2.29 H new ATOM 0 HE2 TYR A 28 -17.380 -6.078 8.883 1.00 2.61 H new ATOM 0 HH TYR A 28 -19.123 -6.987 9.901 1.00 3.21 H new ATOM 409 N LEU A 29 -15.781 -9.046 1.996 1.00 0.94 N ATOM 410 CA LEU A 29 -16.214 -9.906 0.910 1.00 1.13 C ATOM 411 C LEU A 29 -15.219 -11.013 0.596 1.00 1.41 C ATOM 412 O LEU A 29 -15.623 -12.061 0.098 1.00 1.64 O ATOM 413 CB LEU A 29 -16.385 -9.051 -0.344 1.00 1.28 C ATOM 414 CG LEU A 29 -17.692 -8.236 -0.368 1.00 1.37 C ATOM 415 CD1 LEU A 29 -18.861 -9.201 -0.520 1.00 1.48 C ATOM 416 CD2 LEU A 29 -18.025 -7.405 0.871 1.00 1.30 C ATOM 0 H LEU A 29 -15.377 -8.168 1.670 1.00 0.94 H new ATOM 0 HA LEU A 29 -17.147 -10.377 1.220 1.00 1.13 H new ATOM 0 HB2 LEU A 29 -15.540 -8.367 -0.424 1.00 1.28 H new ATOM 0 HB3 LEU A 29 -16.355 -9.698 -1.220 1.00 1.28 H new ATOM 0 HG LEU A 29 -17.537 -7.536 -1.189 1.00 1.37 H new ATOM 0 HD11 LEU A 29 -19.796 -8.640 -0.539 1.00 1.48 H new ATOM 0 HD12 LEU A 29 -18.754 -9.759 -1.450 1.00 1.48 H new ATOM 0 HD13 LEU A 29 -18.871 -9.895 0.320 1.00 1.48 H new ATOM 0 HD21 LEU A 29 -18.970 -6.884 0.717 1.00 1.30 H new ATOM 0 HD22 LEU A 29 -18.110 -8.061 1.737 1.00 1.30 H new ATOM 0 HD23 LEU A 29 -17.233 -6.676 1.044 1.00 1.30 H new ATOM 428 N LEU A 30 -13.925 -10.758 0.778 1.00 1.53 N ATOM 429 CA LEU A 30 -12.876 -11.639 0.301 1.00 1.99 C ATOM 430 C LEU A 30 -11.969 -11.944 1.486 1.00 2.26 C ATOM 431 O LEU A 30 -11.153 -11.108 1.868 1.00 2.86 O ATOM 432 CB LEU A 30 -12.062 -10.999 -0.836 1.00 2.23 C ATOM 433 CG LEU A 30 -12.894 -10.552 -2.045 1.00 2.23 C ATOM 434 CD1 LEU A 30 -12.127 -9.460 -2.789 1.00 2.43 C ATOM 435 CD2 LEU A 30 -13.155 -11.723 -2.996 1.00 2.53 C ATOM 0 H LEU A 30 -13.579 -9.930 1.263 1.00 1.53 H new ATOM 0 HA LEU A 30 -13.320 -12.548 -0.105 1.00 1.99 H new ATOM 0 HB2 LEU A 30 -11.527 -10.135 -0.441 1.00 2.23 H new ATOM 0 HB3 LEU A 30 -11.310 -11.713 -1.173 1.00 2.23 H new ATOM 0 HG LEU A 30 -13.855 -10.176 -1.693 1.00 2.23 H new ATOM 0 HD11 LEU A 30 -12.706 -9.132 -3.652 1.00 2.43 H new ATOM 0 HD12 LEU A 30 -11.959 -8.614 -2.122 1.00 2.43 H new ATOM 0 HD13 LEU A 30 -11.168 -9.854 -3.125 1.00 2.43 H new ATOM 0 HD21 LEU A 30 -13.747 -11.378 -3.844 1.00 2.53 H new ATOM 0 HD22 LEU A 30 -12.205 -12.120 -3.354 1.00 2.53 H new ATOM 0 HD23 LEU A 30 -13.699 -12.506 -2.468 1.00 2.53 H new ATOM 447 N ASP A 31 -12.089 -13.134 2.070 1.00 2.42 N ATOM 448 CA ASP A 31 -11.328 -13.490 3.257 1.00 2.77 C ATOM 449 C ASP A 31 -10.582 -14.790 3.002 1.00 4.14 C ATOM 450 O ASP A 31 -11.010 -15.606 2.183 1.00 5.23 O ATOM 451 CB ASP A 31 -12.252 -13.601 4.478 1.00 2.92 C ATOM 452 CG ASP A 31 -12.732 -15.036 4.721 1.00 4.25 C ATOM 453 OD1 ASP A 31 -11.971 -15.779 5.386 1.00 4.80 O ATOM 454 OD2 ASP A 31 -13.830 -15.372 4.229 1.00 5.33 O ATOM 0 H ASP A 31 -12.711 -13.870 1.735 1.00 2.42 H new ATOM 0 HA ASP A 31 -10.601 -12.708 3.473 1.00 2.77 H new ATOM 0 HB2 ASP A 31 -11.725 -13.243 5.362 1.00 2.92 H new ATOM 0 HB3 ASP A 31 -13.116 -12.951 4.337 1.00 2.92 H new ATOM 459 N LYS A 32 -9.456 -14.993 3.691 1.00 4.82 N ATOM 460 CA LYS A 32 -8.747 -16.258 3.628 1.00 6.52 C ATOM 461 C LYS A 32 -7.749 -16.311 4.777 1.00 7.31 C ATOM 462 O LYS A 32 -6.645 -15.790 4.636 1.00 8.45 O ATOM 463 CB LYS A 32 -8.079 -16.412 2.244 1.00 7.72 C ATOM 464 CG LYS A 32 -8.675 -17.604 1.484 1.00 8.29 C ATOM 465 CD LYS A 32 -7.900 -18.892 1.782 1.00 9.14 C ATOM 466 CE LYS A 32 -8.822 -20.113 1.724 1.00 9.45 C ATOM 467 NZ LYS A 32 -9.659 -20.223 2.940 1.00 8.98 N ATOM 0 H LYS A 32 -9.023 -14.295 4.295 1.00 4.82 H new ATOM 0 HA LYS A 32 -9.431 -17.099 3.740 1.00 6.52 H new ATOM 0 HB2 LYS A 32 -8.217 -15.499 1.665 1.00 7.72 H new ATOM 0 HB3 LYS A 32 -7.005 -16.553 2.367 1.00 7.72 H new ATOM 0 HG2 LYS A 32 -9.721 -17.732 1.764 1.00 8.29 H new ATOM 0 HG3 LYS A 32 -8.655 -17.403 0.413 1.00 8.29 H new ATOM 0 HD2 LYS A 32 -7.091 -19.009 1.061 1.00 9.14 H new ATOM 0 HD3 LYS A 32 -7.441 -18.825 2.769 1.00 9.14 H new ATOM 0 HE2 LYS A 32 -9.463 -20.044 0.845 1.00 9.45 H new ATOM 0 HE3 LYS A 32 -8.223 -21.017 1.611 1.00 9.45 H new ATOM 0 HZ1 LYS A 32 -10.221 -21.097 2.897 1.00 8.98 H new ATOM 0 HZ2 LYS A 32 -9.048 -20.246 3.781 1.00 8.98 H new ATOM 0 HZ3 LYS A 32 -10.297 -19.404 2.998 1.00 8.98 H new ATOM 481 N ASN A 33 -8.156 -16.989 5.861 1.00 7.16 N ATOM 482 CA ASN A 33 -7.519 -17.078 7.170 1.00 7.78 C ATOM 483 C ASN A 33 -7.443 -15.710 7.844 1.00 7.42 C ATOM 484 O ASN A 33 -7.113 -14.719 7.210 1.00 7.65 O ATOM 485 CB ASN A 33 -6.169 -17.787 7.050 1.00 9.03 C ATOM 486 CG ASN A 33 -5.259 -17.543 8.251 1.00 9.75 C ATOM 487 OD1 ASN A 33 -4.278 -16.824 8.160 1.00 10.75 O ATOM 488 ND2 ASN A 33 -5.560 -18.138 9.398 1.00 9.58 N ATOM 0 H ASN A 33 -9.017 -17.535 5.834 1.00 7.16 H new ATOM 0 HA ASN A 33 -8.133 -17.689 7.832 1.00 7.78 H new ATOM 0 HB2 ASN A 33 -6.336 -18.858 6.939 1.00 9.03 H new ATOM 0 HB3 ASN A 33 -5.666 -17.448 6.145 1.00 9.03 H new ATOM 0 HD21 ASN A 33 -4.968 -17.996 10.217 1.00 9.58 H new ATOM 0 HD22 ASN A 33 -6.383 -18.737 9.461 1.00 9.58 H new ATOM 495 N GLN A 34 -7.785 -15.673 9.138 1.00 7.21 N ATOM 496 CA GLN A 34 -7.787 -14.466 9.953 1.00 7.02 C ATOM 497 C GLN A 34 -8.486 -13.326 9.205 1.00 6.07 C ATOM 498 O GLN A 34 -7.882 -12.307 8.889 1.00 6.68 O ATOM 499 CB GLN A 34 -6.341 -14.180 10.394 1.00 8.33 C ATOM 500 CG GLN A 34 -6.276 -13.507 11.770 1.00 8.69 C ATOM 501 CD GLN A 34 -4.859 -13.542 12.346 1.00 10.12 C ATOM 502 OE1 GLN A 34 -3.886 -13.811 11.654 1.00 11.01 O ATOM 503 NE2 GLN A 34 -4.714 -13.306 13.644 1.00 10.65 N ATOM 0 H GLN A 34 -8.074 -16.505 9.653 1.00 7.21 H new ATOM 0 HA GLN A 34 -8.369 -14.587 10.867 1.00 7.02 H new ATOM 0 HB2 GLN A 34 -5.780 -15.114 10.422 1.00 8.33 H new ATOM 0 HB3 GLN A 34 -5.858 -13.540 9.656 1.00 8.33 H new ATOM 0 HG2 GLN A 34 -6.610 -12.473 11.686 1.00 8.69 H new ATOM 0 HG3 GLN A 34 -6.960 -14.009 12.454 1.00 8.69 H new ATOM 0 HE21 GLN A 34 -5.528 -13.082 14.216 1.00 10.65 H new ATOM 0 HE22 GLN A 34 -3.788 -13.348 14.070 1.00 10.65 H new ATOM 512 N SER A 35 -9.766 -13.553 8.898 1.00 5.24 N ATOM 513 CA SER A 35 -10.607 -12.744 8.030 1.00 5.44 C ATOM 514 C SER A 35 -10.710 -11.297 8.508 1.00 3.99 C ATOM 515 O SER A 35 -11.663 -10.949 9.202 1.00 3.93 O ATOM 516 CB SER A 35 -11.991 -13.405 7.992 1.00 6.52 C ATOM 517 OG SER A 35 -12.427 -13.645 9.317 1.00 7.04 O ATOM 0 H SER A 35 -10.268 -14.357 9.275 1.00 5.24 H new ATOM 0 HA SER A 35 -10.167 -12.699 7.034 1.00 5.44 H new ATOM 0 HB2 SER A 35 -12.701 -12.761 7.474 1.00 6.52 H new ATOM 0 HB3 SER A 35 -11.945 -14.341 7.436 1.00 6.52 H new ATOM 0 HG SER A 35 -12.245 -12.856 9.869 1.00 7.04 H new ATOM 523 N ASP A 36 -9.746 -10.462 8.128 1.00 3.78 N ATOM 524 CA ASP A 36 -9.685 -9.064 8.504 1.00 3.02 C ATOM 525 C ASP A 36 -8.851 -8.360 7.439 1.00 2.80 C ATOM 526 O ASP A 36 -7.634 -8.523 7.417 1.00 4.01 O ATOM 527 CB ASP A 36 -9.043 -8.918 9.899 1.00 3.91 C ATOM 528 CG ASP A 36 -10.002 -8.297 10.910 1.00 4.31 C ATOM 529 OD1 ASP A 36 -10.668 -7.308 10.529 1.00 4.42 O ATOM 530 OD2 ASP A 36 -10.030 -8.792 12.060 1.00 5.35 O ATOM 0 H ASP A 36 -8.969 -10.753 7.535 1.00 3.78 H new ATOM 0 HA ASP A 36 -10.680 -8.623 8.562 1.00 3.02 H new ATOM 0 HB2 ASP A 36 -8.725 -9.898 10.256 1.00 3.91 H new ATOM 0 HB3 ASP A 36 -8.148 -8.301 9.823 1.00 3.91 H new ATOM 535 N LEU A 37 -9.511 -7.581 6.571 1.00 2.04 N ATOM 536 CA LEU A 37 -8.895 -6.787 5.507 1.00 1.70 C ATOM 537 C LEU A 37 -8.260 -7.669 4.418 1.00 1.88 C ATOM 538 O LEU A 37 -7.805 -8.782 4.672 1.00 2.29 O ATOM 539 CB LEU A 37 -7.935 -5.737 6.094 1.00 1.64 C ATOM 540 CG LEU A 37 -8.655 -4.723 7.008 1.00 1.69 C ATOM 541 CD1 LEU A 37 -8.751 -5.190 8.467 1.00 2.35 C ATOM 542 CD2 LEU A 37 -7.950 -3.364 7.051 1.00 1.94 C ATOM 0 H LEU A 37 -10.526 -7.485 6.594 1.00 2.04 H new ATOM 0 HA LEU A 37 -9.682 -6.233 4.995 1.00 1.70 H new ATOM 0 HB2 LEU A 37 -7.153 -6.241 6.662 1.00 1.64 H new ATOM 0 HB3 LEU A 37 -7.444 -5.203 5.280 1.00 1.64 H new ATOM 0 HG LEU A 37 -9.647 -4.638 6.564 1.00 1.69 H new ATOM 0 HD11 LEU A 37 -9.267 -4.434 9.058 1.00 2.35 H new ATOM 0 HD12 LEU A 37 -9.305 -6.127 8.513 1.00 2.35 H new ATOM 0 HD13 LEU A 37 -7.749 -5.341 8.867 1.00 2.35 H new ATOM 0 HD21 LEU A 37 -8.499 -2.690 7.708 1.00 1.94 H new ATOM 0 HD22 LEU A 37 -6.935 -3.492 7.428 1.00 1.94 H new ATOM 0 HD23 LEU A 37 -7.913 -2.941 6.047 1.00 1.94 H new ATOM 554 N VAL A 38 -8.195 -7.197 3.170 1.00 1.81 N ATOM 555 CA VAL A 38 -7.615 -7.985 2.079 1.00 2.19 C ATOM 556 C VAL A 38 -6.095 -7.768 1.995 1.00 2.60 C ATOM 557 O VAL A 38 -5.513 -7.813 0.914 1.00 3.54 O ATOM 558 CB VAL A 38 -8.372 -7.725 0.757 1.00 2.14 C ATOM 559 CG1 VAL A 38 -8.144 -6.323 0.175 1.00 2.39 C ATOM 560 CG2 VAL A 38 -8.024 -8.777 -0.307 1.00 2.67 C ATOM 0 H VAL A 38 -8.535 -6.277 2.891 1.00 1.81 H new ATOM 0 HA VAL A 38 -7.744 -9.047 2.287 1.00 2.19 H new ATOM 0 HB VAL A 38 -9.427 -7.799 1.021 1.00 2.14 H new ATOM 0 HG11 VAL A 38 -8.708 -6.218 -0.752 1.00 2.39 H new ATOM 0 HG12 VAL A 38 -8.479 -5.573 0.891 1.00 2.39 H new ATOM 0 HG13 VAL A 38 -7.083 -6.182 -0.028 1.00 2.39 H new ATOM 0 HG21 VAL A 38 -8.574 -8.563 -1.223 1.00 2.67 H new ATOM 0 HG22 VAL A 38 -6.954 -8.748 -0.511 1.00 2.67 H new ATOM 0 HG23 VAL A 38 -8.297 -9.767 0.058 1.00 2.67 H new ATOM 570 N THR A 39 -5.421 -7.608 3.136 1.00 2.21 N ATOM 571 CA THR A 39 -3.969 -7.486 3.204 1.00 2.53 C ATOM 572 C THR A 39 -3.377 -8.712 3.888 1.00 2.29 C ATOM 573 O THR A 39 -2.362 -9.226 3.420 1.00 3.38 O ATOM 574 CB THR A 39 -3.545 -6.154 3.846 1.00 3.15 C ATOM 575 OG1 THR A 39 -2.137 -6.104 3.986 1.00 4.10 O ATOM 576 CG2 THR A 39 -4.187 -5.873 5.203 1.00 2.86 C ATOM 0 H THR A 39 -5.876 -7.559 4.047 1.00 2.21 H new ATOM 0 HA THR A 39 -3.561 -7.458 2.194 1.00 2.53 H new ATOM 0 HB THR A 39 -3.902 -5.381 3.165 1.00 3.15 H new ATOM 0 HG1 THR A 39 -1.859 -6.701 4.712 1.00 4.10 H new ATOM 0 HG21 THR A 39 -3.832 -4.915 5.582 1.00 2.86 H new ATOM 0 HG22 THR A 39 -5.271 -5.841 5.093 1.00 2.86 H new ATOM 0 HG23 THR A 39 -3.917 -6.663 5.904 1.00 2.86 H new ATOM 584 N ASN A 40 -4.010 -9.207 4.959 1.00 2.16 N ATOM 585 CA ASN A 40 -3.520 -10.339 5.734 1.00 2.69 C ATOM 586 C ASN A 40 -3.739 -11.646 4.968 1.00 2.33 C ATOM 587 O ASN A 40 -4.553 -12.475 5.362 1.00 3.18 O ATOM 588 CB ASN A 40 -4.236 -10.375 7.097 1.00 3.81 C ATOM 589 CG ASN A 40 -3.678 -9.300 8.014 1.00 4.74 C ATOM 590 OD1 ASN A 40 -4.043 -8.134 7.922 1.00 6.00 O ATOM 591 ND2 ASN A 40 -2.743 -9.670 8.876 1.00 4.97 N ATOM 0 H ASN A 40 -4.887 -8.823 5.311 1.00 2.16 H new ATOM 0 HA ASN A 40 -2.449 -10.225 5.901 1.00 2.69 H new ATOM 0 HB2 ASN A 40 -5.306 -10.224 6.957 1.00 3.81 H new ATOM 0 HB3 ASN A 40 -4.110 -11.356 7.556 1.00 3.81 H new ATOM 0 HD21 ASN A 40 -2.307 -8.977 9.485 1.00 4.97 H new ATOM 0 HD22 ASN A 40 -2.458 -10.648 8.931 1.00 4.97 H new ATOM 598 N SER A 41 -3.020 -11.866 3.868 1.00 2.07 N ATOM 599 CA SER A 41 -3.190 -13.061 3.063 1.00 2.16 C ATOM 600 C SER A 41 -1.976 -13.220 2.147 1.00 2.54 C ATOM 601 O SER A 41 -2.048 -13.033 0.935 1.00 3.45 O ATOM 602 CB SER A 41 -4.515 -12.967 2.287 1.00 2.61 C ATOM 603 OG SER A 41 -5.056 -14.261 2.095 1.00 3.13 O ATOM 0 H SER A 41 -2.310 -11.223 3.517 1.00 2.07 H new ATOM 0 HA SER A 41 -3.247 -13.952 3.689 1.00 2.16 H new ATOM 0 HB2 SER A 41 -5.223 -12.345 2.834 1.00 2.61 H new ATOM 0 HB3 SER A 41 -4.348 -12.487 1.323 1.00 2.61 H new ATOM 0 HG SER A 41 -5.900 -14.193 1.602 1.00 3.13 H new ATOM 609 N LYS A 42 -0.819 -13.557 2.725 1.00 3.20 N ATOM 610 CA LYS A 42 0.375 -13.843 1.932 1.00 3.88 C ATOM 611 C LYS A 42 1.249 -14.822 2.700 1.00 3.45 C ATOM 612 O LYS A 42 2.336 -14.490 3.164 1.00 4.45 O ATOM 613 CB LYS A 42 1.086 -12.533 1.553 1.00 4.87 C ATOM 614 CG LYS A 42 1.642 -12.545 0.118 1.00 5.95 C ATOM 615 CD LYS A 42 3.115 -12.954 -0.021 1.00 7.25 C ATOM 616 CE LYS A 42 3.341 -14.426 -0.350 1.00 7.83 C ATOM 617 NZ LYS A 42 4.747 -14.638 -0.757 1.00 9.11 N ATOM 0 H LYS A 42 -0.686 -13.637 3.733 1.00 3.20 H new ATOM 0 HA LYS A 42 0.115 -14.319 0.987 1.00 3.88 H new ATOM 0 HB2 LYS A 42 0.388 -11.703 1.659 1.00 4.87 H new ATOM 0 HB3 LYS A 42 1.903 -12.354 2.252 1.00 4.87 H new ATOM 0 HG2 LYS A 42 1.037 -13.226 -0.481 1.00 5.95 H new ATOM 0 HG3 LYS A 42 1.519 -11.549 -0.308 1.00 5.95 H new ATOM 0 HD2 LYS A 42 3.574 -12.347 -0.801 1.00 7.25 H new ATOM 0 HD3 LYS A 42 3.632 -12.721 0.910 1.00 7.25 H new ATOM 0 HE2 LYS A 42 3.107 -15.042 0.518 1.00 7.83 H new ATOM 0 HE3 LYS A 42 2.670 -14.736 -1.151 1.00 7.83 H new ATOM 0 HZ1 LYS A 42 4.937 -15.658 -0.833 1.00 9.11 H new ATOM 0 HZ2 LYS A 42 4.914 -14.186 -1.679 1.00 9.11 H new ATOM 0 HZ3 LYS A 42 5.381 -14.220 -0.046 1.00 9.11 H new ATOM 631 N LYS A 43 0.747 -16.049 2.835 1.00 2.95 N ATOM 632 CA LYS A 43 1.348 -17.122 3.616 1.00 3.18 C ATOM 633 C LYS A 43 1.284 -16.790 5.107 1.00 2.85 C ATOM 634 O LYS A 43 0.437 -17.346 5.795 1.00 3.86 O ATOM 635 CB LYS A 43 2.736 -17.501 3.055 1.00 4.15 C ATOM 636 CG LYS A 43 3.048 -18.997 3.249 1.00 5.31 C ATOM 637 CD LYS A 43 3.805 -19.630 2.066 1.00 6.06 C ATOM 638 CE LYS A 43 5.279 -19.919 2.370 1.00 6.88 C ATOM 639 NZ LYS A 43 6.089 -18.692 2.539 1.00 6.86 N ATOM 0 H LYS A 43 -0.124 -16.331 2.384 1.00 2.95 H new ATOM 0 HA LYS A 43 0.771 -18.042 3.517 1.00 3.18 H new ATOM 0 HB2 LYS A 43 2.777 -17.257 1.993 1.00 4.15 H new ATOM 0 HB3 LYS A 43 3.502 -16.904 3.549 1.00 4.15 H new ATOM 0 HG2 LYS A 43 3.640 -19.121 4.156 1.00 5.31 H new ATOM 0 HG3 LYS A 43 2.114 -19.537 3.402 1.00 5.31 H new ATOM 0 HD2 LYS A 43 3.311 -20.560 1.784 1.00 6.06 H new ATOM 0 HD3 LYS A 43 3.743 -18.963 1.206 1.00 6.06 H new ATOM 0 HE2 LYS A 43 5.346 -20.519 3.278 1.00 6.88 H new ATOM 0 HE3 LYS A 43 5.700 -20.516 1.561 1.00 6.88 H new ATOM 0 HZ1 LYS A 43 7.075 -18.952 2.742 1.00 6.86 H new ATOM 0 HZ2 LYS A 43 6.053 -18.129 1.665 1.00 6.86 H new ATOM 0 HZ3 LYS A 43 5.709 -18.131 3.328 1.00 6.86 H new ATOM 653 N PHE A 44 2.118 -15.881 5.612 1.00 2.62 N ATOM 654 CA PHE A 44 2.009 -15.389 6.979 1.00 2.50 C ATOM 655 C PHE A 44 2.671 -14.011 7.054 1.00 1.93 C ATOM 656 O PHE A 44 3.853 -13.922 7.353 1.00 2.50 O ATOM 657 CB PHE A 44 2.630 -16.394 7.975 1.00 3.45 C ATOM 658 CG PHE A 44 4.085 -16.767 7.734 1.00 5.04 C ATOM 659 CD1 PHE A 44 4.422 -17.680 6.719 1.00 5.85 C ATOM 660 CD2 PHE A 44 5.109 -16.190 8.510 1.00 6.62 C ATOM 661 CE1 PHE A 44 5.769 -17.974 6.445 1.00 7.97 C ATOM 662 CE2 PHE A 44 6.456 -16.476 8.235 1.00 8.61 C ATOM 663 CZ PHE A 44 6.788 -17.360 7.195 1.00 9.23 C ATOM 0 H PHE A 44 2.886 -15.468 5.083 1.00 2.62 H new ATOM 0 HA PHE A 44 0.961 -15.288 7.261 1.00 2.50 H new ATOM 0 HB2 PHE A 44 2.545 -15.978 8.979 1.00 3.45 H new ATOM 0 HB3 PHE A 44 2.035 -17.307 7.956 1.00 3.45 H new ATOM 0 HD1 PHE A 44 3.641 -18.158 6.146 1.00 5.85 H new ATOM 0 HD2 PHE A 44 4.857 -15.524 9.322 1.00 6.62 H new ATOM 0 HE1 PHE A 44 6.021 -18.671 5.659 1.00 7.97 H new ATOM 0 HE2 PHE A 44 7.237 -16.016 8.823 1.00 8.61 H new ATOM 0 HZ PHE A 44 7.824 -17.568 6.972 1.00 9.23 H new ATOM 673 N ILE A 45 1.922 -12.935 6.773 1.00 1.15 N ATOM 674 CA ILE A 45 2.399 -11.547 6.852 1.00 0.87 C ATOM 675 C ILE A 45 3.852 -11.407 6.374 1.00 0.98 C ATOM 676 O ILE A 45 4.730 -10.949 7.092 1.00 1.89 O ATOM 677 CB ILE A 45 2.114 -10.963 8.253 1.00 1.22 C ATOM 678 CG1 ILE A 45 2.644 -11.810 9.429 1.00 1.58 C ATOM 679 CG2 ILE A 45 0.585 -10.846 8.370 1.00 2.48 C ATOM 680 CD1 ILE A 45 2.572 -11.092 10.788 1.00 2.17 C ATOM 0 H ILE A 45 0.948 -13.007 6.479 1.00 1.15 H new ATOM 0 HA ILE A 45 1.834 -10.933 6.151 1.00 0.87 H new ATOM 0 HB ILE A 45 2.636 -10.009 8.330 1.00 1.22 H new ATOM 0 HG12 ILE A 45 2.071 -12.736 9.486 1.00 1.58 H new ATOM 0 HG13 ILE A 45 3.679 -12.087 9.229 1.00 1.58 H new ATOM 0 HG21 ILE A 45 0.325 -10.436 9.346 1.00 2.48 H new ATOM 0 HG22 ILE A 45 0.210 -10.186 7.588 1.00 2.48 H new ATOM 0 HG23 ILE A 45 0.135 -11.833 8.259 1.00 2.48 H new ATOM 0 HD11 ILE A 45 2.961 -11.748 11.567 1.00 2.17 H new ATOM 0 HD12 ILE A 45 3.168 -10.180 10.750 1.00 2.17 H new ATOM 0 HD13 ILE A 45 1.536 -10.839 11.011 1.00 2.17 H new ATOM 692 N ASP A 46 4.100 -11.814 5.132 1.00 0.66 N ATOM 693 CA ASP A 46 5.433 -11.902 4.538 1.00 0.58 C ATOM 694 C ASP A 46 5.828 -10.550 3.940 1.00 0.46 C ATOM 695 O ASP A 46 6.809 -9.928 4.341 1.00 0.43 O ATOM 696 CB ASP A 46 5.352 -13.021 3.494 1.00 0.66 C ATOM 697 CG ASP A 46 6.501 -13.064 2.493 1.00 1.25 C ATOM 698 OD1 ASP A 46 7.653 -12.840 2.909 1.00 2.03 O ATOM 699 OD2 ASP A 46 6.196 -13.376 1.316 1.00 2.39 O ATOM 0 H ASP A 46 3.359 -12.100 4.492 1.00 0.66 H new ATOM 0 HA ASP A 46 6.208 -12.136 5.268 1.00 0.58 H new ATOM 0 HB2 ASP A 46 5.309 -13.978 4.014 1.00 0.66 H new ATOM 0 HB3 ASP A 46 4.417 -12.915 2.944 1.00 0.66 H new ATOM 704 N ILE A 47 4.991 -10.054 3.027 1.00 0.43 N ATOM 705 CA ILE A 47 5.145 -8.782 2.325 1.00 0.37 C ATOM 706 C ILE A 47 5.446 -7.663 3.325 1.00 0.36 C ATOM 707 O ILE A 47 6.459 -6.972 3.245 1.00 0.39 O ATOM 708 CB ILE A 47 3.845 -8.500 1.544 1.00 0.38 C ATOM 709 CG1 ILE A 47 3.507 -9.578 0.515 1.00 0.42 C ATOM 710 CG2 ILE A 47 3.869 -7.133 0.869 1.00 0.40 C ATOM 711 CD1 ILE A 47 4.286 -9.398 -0.776 1.00 0.43 C ATOM 0 H ILE A 47 4.148 -10.553 2.745 1.00 0.43 H new ATOM 0 HA ILE A 47 5.981 -8.830 1.627 1.00 0.37 H new ATOM 0 HB ILE A 47 3.057 -8.510 2.298 1.00 0.38 H new ATOM 0 HG12 ILE A 47 3.724 -10.560 0.935 1.00 0.42 H new ATOM 0 HG13 ILE A 47 2.439 -9.552 0.300 1.00 0.42 H new ATOM 0 HG21 ILE A 47 2.934 -6.977 0.331 1.00 0.40 H new ATOM 0 HG22 ILE A 47 3.987 -6.356 1.624 1.00 0.40 H new ATOM 0 HG23 ILE A 47 4.703 -7.088 0.169 1.00 0.40 H new ATOM 0 HD11 ILE A 47 4.014 -10.186 -1.478 1.00 0.43 H new ATOM 0 HD12 ILE A 47 4.050 -8.427 -1.211 1.00 0.43 H new ATOM 0 HD13 ILE A 47 5.354 -9.451 -0.567 1.00 0.43 H new ATOM 723 N PHE A 48 4.540 -7.486 4.282 1.00 0.35 N ATOM 724 CA PHE A 48 4.645 -6.482 5.324 1.00 0.33 C ATOM 725 C PHE A 48 5.899 -6.671 6.175 1.00 0.35 C ATOM 726 O PHE A 48 6.415 -5.706 6.723 1.00 0.35 O ATOM 727 CB PHE A 48 3.378 -6.576 6.178 1.00 0.35 C ATOM 728 CG PHE A 48 3.438 -5.764 7.449 1.00 0.34 C ATOM 729 CD1 PHE A 48 3.737 -4.399 7.374 1.00 0.32 C ATOM 730 CD2 PHE A 48 3.282 -6.379 8.703 1.00 0.41 C ATOM 731 CE1 PHE A 48 3.908 -3.651 8.543 1.00 0.36 C ATOM 732 CE2 PHE A 48 3.407 -5.618 9.880 1.00 0.45 C ATOM 733 CZ PHE A 48 3.737 -4.254 9.800 1.00 0.42 C ATOM 0 H PHE A 48 3.695 -8.052 4.352 1.00 0.35 H new ATOM 0 HA PHE A 48 4.734 -5.492 4.876 1.00 0.33 H new ATOM 0 HB2 PHE A 48 2.526 -6.243 5.585 1.00 0.35 H new ATOM 0 HB3 PHE A 48 3.200 -7.621 6.433 1.00 0.35 H new ATOM 0 HD1 PHE A 48 3.836 -3.922 6.410 1.00 0.32 H new ATOM 0 HD2 PHE A 48 3.066 -7.436 8.763 1.00 0.41 H new ATOM 0 HE1 PHE A 48 4.173 -2.606 8.479 1.00 0.36 H new ATOM 0 HE2 PHE A 48 3.250 -6.081 10.843 1.00 0.45 H new ATOM 0 HZ PHE A 48 3.859 -3.672 10.702 1.00 0.42 H new ATOM 743 N LYS A 49 6.402 -7.889 6.349 1.00 0.40 N ATOM 744 CA LYS A 49 7.537 -8.046 7.242 1.00 0.42 C ATOM 745 C LYS A 49 8.788 -7.410 6.650 1.00 0.42 C ATOM 746 O LYS A 49 9.511 -6.732 7.374 1.00 0.44 O ATOM 747 CB LYS A 49 7.750 -9.521 7.599 1.00 0.46 C ATOM 748 CG LYS A 49 7.216 -9.830 9.000 1.00 0.83 C ATOM 749 CD LYS A 49 5.783 -9.329 9.256 1.00 0.95 C ATOM 750 CE LYS A 49 5.636 -8.062 10.103 1.00 0.94 C ATOM 751 NZ LYS A 49 6.357 -8.143 11.388 1.00 1.22 N ATOM 0 H LYS A 49 6.060 -8.742 5.906 1.00 0.40 H new ATOM 0 HA LYS A 49 7.321 -7.519 8.171 1.00 0.42 H new ATOM 0 HB2 LYS A 49 7.246 -10.152 6.867 1.00 0.46 H new ATOM 0 HB3 LYS A 49 8.812 -9.761 7.550 1.00 0.46 H new ATOM 0 HG2 LYS A 49 7.245 -10.908 9.158 1.00 0.83 H new ATOM 0 HG3 LYS A 49 7.882 -9.382 9.737 1.00 0.83 H new ATOM 0 HD2 LYS A 49 5.308 -9.150 8.291 1.00 0.95 H new ATOM 0 HD3 LYS A 49 5.225 -10.129 9.742 1.00 0.95 H new ATOM 0 HE2 LYS A 49 6.007 -7.208 9.537 1.00 0.94 H new ATOM 0 HE3 LYS A 49 4.579 -7.881 10.296 1.00 0.94 H new ATOM 0 HZ1 LYS A 49 5.967 -7.442 12.050 1.00 1.22 H new ATOM 0 HZ2 LYS A 49 6.246 -9.096 11.789 1.00 1.22 H new ATOM 0 HZ3 LYS A 49 7.367 -7.948 11.232 1.00 1.22 H new ATOM 765 N GLU A 50 9.052 -7.646 5.367 1.00 0.43 N ATOM 766 CA GLU A 50 10.248 -7.114 4.724 1.00 0.47 C ATOM 767 C GLU A 50 9.958 -5.704 4.200 1.00 0.43 C ATOM 768 O GLU A 50 10.583 -4.718 4.588 1.00 0.49 O ATOM 769 CB GLU A 50 10.661 -8.077 3.597 1.00 0.53 C ATOM 770 CG GLU A 50 11.951 -7.682 2.863 1.00 1.62 C ATOM 771 CD GLU A 50 13.210 -7.964 3.686 1.00 1.69 C ATOM 772 OE1 GLU A 50 13.274 -7.472 4.835 1.00 2.17 O ATOM 773 OE2 GLU A 50 14.094 -8.673 3.155 1.00 2.40 O ATOM 0 H GLU A 50 8.454 -8.201 4.754 1.00 0.43 H new ATOM 0 HA GLU A 50 11.074 -7.036 5.430 1.00 0.47 H new ATOM 0 HB2 GLU A 50 10.788 -9.075 4.017 1.00 0.53 H new ATOM 0 HB3 GLU A 50 9.849 -8.137 2.872 1.00 0.53 H new ATOM 0 HG2 GLU A 50 12.009 -8.226 1.920 1.00 1.62 H new ATOM 0 HG3 GLU A 50 11.913 -6.621 2.617 1.00 1.62 H new ATOM 780 N GLU A 51 8.988 -5.601 3.293 1.00 0.38 N ATOM 781 CA GLU A 51 8.727 -4.364 2.574 1.00 0.34 C ATOM 782 C GLU A 51 8.077 -3.336 3.502 1.00 0.31 C ATOM 783 O GLU A 51 8.274 -2.126 3.353 1.00 0.31 O ATOM 784 CB GLU A 51 7.851 -4.643 1.351 1.00 0.32 C ATOM 785 CG GLU A 51 8.296 -5.872 0.542 1.00 0.53 C ATOM 786 CD GLU A 51 9.798 -5.928 0.274 1.00 1.13 C ATOM 787 OE1 GLU A 51 10.423 -4.859 0.153 1.00 2.55 O ATOM 788 OE2 GLU A 51 10.300 -7.059 0.105 1.00 1.88 O ATOM 0 H GLU A 51 8.367 -6.369 3.040 1.00 0.38 H new ATOM 0 HA GLU A 51 9.672 -3.947 2.226 1.00 0.34 H new ATOM 0 HB2 GLU A 51 6.821 -4.787 1.678 1.00 0.32 H new ATOM 0 HB3 GLU A 51 7.860 -3.768 0.701 1.00 0.32 H new ATOM 0 HG2 GLU A 51 7.999 -6.774 1.077 1.00 0.53 H new ATOM 0 HG3 GLU A 51 7.767 -5.878 -0.411 1.00 0.53 H new ATOM 795 N GLY A 52 7.335 -3.807 4.509 1.00 0.31 N ATOM 796 CA GLY A 52 6.820 -3.008 5.601 1.00 0.31 C ATOM 797 C GLY A 52 7.899 -2.537 6.584 1.00 0.33 C ATOM 798 O GLY A 52 7.680 -2.497 7.792 1.00 0.37 O ATOM 0 H GLY A 52 7.073 -4.790 4.579 1.00 0.31 H new ATOM 0 HA2 GLY A 52 6.309 -2.137 5.192 1.00 0.31 H new ATOM 0 HA3 GLY A 52 6.075 -3.589 6.144 1.00 0.31 H new ATOM 802 N SER A 53 9.072 -2.140 6.091 1.00 0.34 N ATOM 803 CA SER A 53 10.039 -1.295 6.778 1.00 0.41 C ATOM 804 C SER A 53 10.841 -0.517 5.734 1.00 0.40 C ATOM 805 O SER A 53 12.036 -0.295 5.901 1.00 0.58 O ATOM 806 CB SER A 53 10.966 -2.158 7.646 1.00 0.53 C ATOM 807 OG SER A 53 10.291 -2.603 8.802 1.00 1.89 O ATOM 0 H SER A 53 9.385 -2.413 5.159 1.00 0.34 H new ATOM 0 HA SER A 53 9.524 -0.592 7.432 1.00 0.41 H new ATOM 0 HB2 SER A 53 11.318 -3.015 7.071 1.00 0.53 H new ATOM 0 HB3 SER A 53 11.846 -1.582 7.931 1.00 0.53 H new ATOM 0 HG SER A 53 9.342 -2.735 8.596 1.00 1.89 H new ATOM 813 N ASN A 54 10.188 -0.103 4.643 1.00 0.34 N ATOM 814 CA ASN A 54 10.882 0.511 3.518 1.00 0.39 C ATOM 815 C ASN A 54 10.087 1.649 2.911 1.00 0.42 C ATOM 816 O ASN A 54 10.634 2.712 2.638 1.00 0.60 O ATOM 817 CB ASN A 54 11.193 -0.551 2.447 1.00 0.50 C ATOM 818 CG ASN A 54 12.689 -0.797 2.338 1.00 0.65 C ATOM 819 OD1 ASN A 54 13.423 0.056 1.854 1.00 0.98 O ATOM 820 ND2 ASN A 54 13.162 -1.953 2.783 1.00 1.86 N ATOM 0 H ASN A 54 9.179 -0.184 4.520 1.00 0.34 H new ATOM 0 HA ASN A 54 11.814 0.931 3.896 1.00 0.39 H new ATOM 0 HB2 ASN A 54 10.685 -1.483 2.696 1.00 0.50 H new ATOM 0 HB3 ASN A 54 10.804 -0.224 1.483 1.00 0.50 H new ATOM 0 HD21 ASN A 54 14.161 -2.151 2.727 1.00 1.86 H new ATOM 0 HD22 ASN A 54 12.527 -2.645 3.181 1.00 1.86 H new ATOM 827 N LEU A 55 8.797 1.426 2.663 1.00 0.30 N ATOM 828 CA LEU A 55 8.008 2.409 1.926 1.00 0.31 C ATOM 829 C LEU A 55 7.905 3.724 2.695 1.00 0.38 C ATOM 830 O LEU A 55 7.801 4.790 2.097 1.00 0.52 O ATOM 831 CB LEU A 55 6.606 1.869 1.607 1.00 0.25 C ATOM 832 CG LEU A 55 6.631 0.478 0.970 1.00 0.24 C ATOM 833 CD1 LEU A 55 5.219 0.097 0.520 1.00 0.29 C ATOM 834 CD2 LEU A 55 7.605 0.436 -0.214 1.00 0.30 C ATOM 0 H LEU A 55 8.286 0.593 2.954 1.00 0.30 H new ATOM 0 HA LEU A 55 8.525 2.601 0.986 1.00 0.31 H new ATOM 0 HB2 LEU A 55 6.020 1.831 2.525 1.00 0.25 H new ATOM 0 HB3 LEU A 55 6.100 2.562 0.934 1.00 0.25 H new ATOM 0 HG LEU A 55 6.977 -0.243 1.710 1.00 0.24 H new ATOM 0 HD11 LEU A 55 5.237 -0.894 0.066 1.00 0.29 H new ATOM 0 HD12 LEU A 55 4.552 0.089 1.382 1.00 0.29 H new ATOM 0 HD13 LEU A 55 4.861 0.824 -0.209 1.00 0.29 H new ATOM 0 HD21 LEU A 55 7.605 -0.563 -0.650 1.00 0.30 H new ATOM 0 HD22 LEU A 55 7.294 1.160 -0.967 1.00 0.30 H new ATOM 0 HD23 LEU A 55 8.609 0.681 0.132 1.00 0.30 H new ATOM 846 N THR A 56 7.858 3.629 4.022 1.00 0.33 N ATOM 847 CA THR A 56 7.626 4.747 4.933 1.00 0.44 C ATOM 848 C THR A 56 7.596 4.190 6.358 1.00 0.34 C ATOM 849 O THR A 56 7.519 2.974 6.544 1.00 0.28 O ATOM 850 CB THR A 56 6.344 5.528 4.553 1.00 0.60 C ATOM 851 OG1 THR A 56 5.864 6.325 5.621 1.00 0.81 O ATOM 852 CG2 THR A 56 5.192 4.624 4.128 1.00 0.57 C ATOM 0 H THR A 56 7.985 2.742 4.509 1.00 0.33 H new ATOM 0 HA THR A 56 8.431 5.478 4.860 1.00 0.44 H new ATOM 0 HB THR A 56 6.654 6.150 3.714 1.00 0.60 H new ATOM 0 HG1 THR A 56 5.056 6.801 5.337 1.00 0.81 H new ATOM 0 HG21 THR A 56 4.325 5.234 3.875 1.00 0.57 H new ATOM 0 HG22 THR A 56 5.490 4.039 3.258 1.00 0.57 H new ATOM 0 HG23 THR A 56 4.936 3.951 4.947 1.00 0.57 H new ATOM 860 N SER A 57 7.611 5.057 7.372 1.00 0.40 N ATOM 861 CA SER A 57 7.348 4.667 8.750 1.00 0.36 C ATOM 862 C SER A 57 5.936 4.099 8.890 1.00 0.36 C ATOM 863 O SER A 57 5.745 3.125 9.613 1.00 0.37 O ATOM 864 CB SER A 57 7.538 5.873 9.669 1.00 0.45 C ATOM 865 OG SER A 57 8.844 6.387 9.504 1.00 0.90 O ATOM 0 H SER A 57 7.807 6.051 7.256 1.00 0.40 H new ATOM 0 HA SER A 57 8.052 3.887 9.038 1.00 0.36 H new ATOM 0 HB2 SER A 57 6.801 6.641 9.436 1.00 0.45 H new ATOM 0 HB3 SER A 57 7.378 5.582 10.707 1.00 0.45 H new ATOM 0 HG SER A 57 8.967 7.162 10.091 1.00 0.90 H new ATOM 871 N TYR A 58 4.954 4.648 8.162 1.00 0.47 N ATOM 872 CA TYR A 58 3.607 4.073 8.116 1.00 0.57 C ATOM 873 C TYR A 58 3.583 2.716 7.413 1.00 0.48 C ATOM 874 O TYR A 58 2.570 2.025 7.417 1.00 0.59 O ATOM 875 CB TYR A 58 2.623 5.030 7.426 1.00 0.77 C ATOM 876 CG TYR A 58 1.915 5.979 8.367 1.00 0.83 C ATOM 877 CD1 TYR A 58 1.220 5.458 9.472 1.00 0.91 C ATOM 878 CD2 TYR A 58 1.895 7.364 8.119 1.00 0.96 C ATOM 879 CE1 TYR A 58 0.531 6.306 10.350 1.00 1.13 C ATOM 880 CE2 TYR A 58 1.200 8.224 8.989 1.00 1.22 C ATOM 881 CZ TYR A 58 0.518 7.697 10.114 1.00 1.31 C ATOM 882 OH TYR A 58 -0.161 8.520 10.963 1.00 1.61 O ATOM 0 H TYR A 58 5.069 5.490 7.598 1.00 0.47 H new ATOM 0 HA TYR A 58 3.297 3.923 9.150 1.00 0.57 H new ATOM 0 HB2 TYR A 58 3.164 5.612 6.680 1.00 0.77 H new ATOM 0 HB3 TYR A 58 1.877 4.442 6.892 1.00 0.77 H new ATOM 0 HD1 TYR A 58 1.217 4.392 9.647 1.00 0.91 H new ATOM 0 HD2 TYR A 58 2.413 7.767 7.261 1.00 0.96 H new ATOM 0 HE1 TYR A 58 0.012 5.896 11.204 1.00 1.13 H new ATOM 0 HE2 TYR A 58 1.186 9.287 8.799 1.00 1.22 H new ATOM 0 HH TYR A 58 -0.070 9.448 10.661 1.00 1.61 H new ATOM 892 N GLY A 59 4.697 2.308 6.813 1.00 0.43 N ATOM 893 CA GLY A 59 4.832 0.994 6.238 1.00 0.42 C ATOM 894 C GLY A 59 5.195 -0.030 7.302 1.00 0.40 C ATOM 895 O GLY A 59 5.175 -1.208 6.993 1.00 0.42 O ATOM 0 H GLY A 59 5.529 2.890 6.717 1.00 0.43 H new ATOM 0 HA2 GLY A 59 3.898 0.707 5.755 1.00 0.42 H new ATOM 0 HA3 GLY A 59 5.600 1.008 5.465 1.00 0.42 H new ATOM 899 N ARG A 60 5.516 0.375 8.534 1.00 0.42 N ATOM 900 CA ARG A 60 5.931 -0.543 9.593 1.00 0.44 C ATOM 901 C ARG A 60 4.951 -0.555 10.767 1.00 0.47 C ATOM 902 O ARG A 60 5.121 -1.321 11.712 1.00 0.51 O ATOM 903 CB ARG A 60 7.311 -0.108 10.093 1.00 0.48 C ATOM 904 CG ARG A 60 8.045 -1.201 10.889 1.00 0.53 C ATOM 905 CD ARG A 60 9.265 -0.631 11.621 1.00 1.13 C ATOM 906 NE ARG A 60 9.477 -1.286 12.925 1.00 1.02 N ATOM 907 CZ ARG A 60 8.703 -1.119 14.009 1.00 1.65 C ATOM 908 NH1 ARG A 60 7.614 -0.351 13.948 1.00 2.83 N ATOM 909 NH2 ARG A 60 9.014 -1.725 15.155 1.00 1.94 N ATOM 0 H ARG A 60 5.495 1.353 8.824 1.00 0.42 H new ATOM 0 HA ARG A 60 5.957 -1.552 9.181 1.00 0.44 H new ATOM 0 HB2 ARG A 60 7.923 0.183 9.239 1.00 0.48 H new ATOM 0 HB3 ARG A 60 7.200 0.776 10.721 1.00 0.48 H new ATOM 0 HG2 ARG A 60 7.362 -1.649 11.610 1.00 0.53 H new ATOM 0 HG3 ARG A 60 8.362 -1.996 10.213 1.00 0.53 H new ATOM 0 HD2 ARG A 60 10.153 -0.759 11.002 1.00 1.13 H new ATOM 0 HD3 ARG A 60 9.132 0.441 11.770 1.00 1.13 H new ATOM 0 HE ARG A 60 10.275 -1.916 13.010 1.00 1.02 H new ATOM 0 HH11 ARG A 60 7.366 0.113 13.074 1.00 2.83 H new ATOM 0 HH12 ARG A 60 7.030 -0.228 14.775 1.00 2.83 H new ATOM 0 HH21 ARG A 60 9.842 -2.318 15.210 1.00 1.94 H new ATOM 0 HH22 ARG A 60 8.424 -1.596 15.977 1.00 1.94 H new ATOM 923 N THR A 61 3.994 0.363 10.774 1.00 0.49 N ATOM 924 CA THR A 61 2.964 0.438 11.800 1.00 0.56 C ATOM 925 C THR A 61 1.972 -0.720 11.612 1.00 0.58 C ATOM 926 O THR A 61 2.386 -1.858 11.402 1.00 0.92 O ATOM 927 CB THR A 61 2.310 1.819 11.716 1.00 0.60 C ATOM 928 OG1 THR A 61 1.972 2.060 10.377 1.00 0.79 O ATOM 929 CG2 THR A 61 3.221 2.951 12.147 1.00 0.87 C ATOM 0 H THR A 61 3.911 1.085 10.058 1.00 0.49 H new ATOM 0 HA THR A 61 3.379 0.328 12.802 1.00 0.56 H new ATOM 0 HB THR A 61 1.452 1.801 12.387 1.00 0.60 H new ATOM 0 HG1 THR A 61 1.070 2.440 10.331 1.00 0.79 H new ATOM 0 HG21 THR A 61 2.689 3.899 12.061 1.00 0.87 H new ATOM 0 HG22 THR A 61 3.526 2.799 13.182 1.00 0.87 H new ATOM 0 HG23 THR A 61 4.104 2.971 11.508 1.00 0.87 H new ATOM 937 N ASN A 62 0.657 -0.500 11.715 1.00 0.43 N ATOM 938 CA ASN A 62 -0.265 -1.602 11.494 1.00 0.42 C ATOM 939 C ASN A 62 -0.160 -2.025 10.031 1.00 0.38 C ATOM 940 O ASN A 62 0.015 -1.186 9.150 1.00 0.38 O ATOM 941 CB ASN A 62 -1.704 -1.195 11.868 1.00 0.45 C ATOM 942 CG ASN A 62 -2.237 -2.037 13.022 1.00 0.83 C ATOM 943 OD1 ASN A 62 -1.506 -2.371 13.945 1.00 1.47 O ATOM 944 ND2 ASN A 62 -3.513 -2.396 13.001 1.00 1.60 N ATOM 0 H ASN A 62 0.226 0.396 11.941 1.00 0.43 H new ATOM 0 HA ASN A 62 -0.004 -2.446 12.133 1.00 0.42 H new ATOM 0 HB2 ASN A 62 -1.726 -0.141 12.144 1.00 0.45 H new ATOM 0 HB3 ASN A 62 -2.354 -1.311 11.001 1.00 0.45 H new ATOM 0 HD21 ASN A 62 -3.897 -2.958 13.761 1.00 1.60 H new ATOM 0 HD22 ASN A 62 -4.110 -2.110 12.225 1.00 1.60 H new ATOM 951 N GLU A 63 -0.328 -3.319 9.753 1.00 0.39 N ATOM 952 CA GLU A 63 -0.290 -3.845 8.393 1.00 0.39 C ATOM 953 C GLU A 63 -1.310 -3.121 7.507 1.00 0.38 C ATOM 954 O GLU A 63 -1.079 -2.876 6.329 1.00 0.42 O ATOM 955 CB GLU A 63 -0.564 -5.348 8.452 1.00 0.44 C ATOM 956 CG GLU A 63 -0.412 -6.005 7.078 1.00 0.71 C ATOM 957 CD GLU A 63 -0.774 -7.481 7.123 1.00 1.65 C ATOM 958 OE1 GLU A 63 -0.599 -8.080 8.208 1.00 2.92 O ATOM 959 OE2 GLU A 63 -1.204 -7.991 6.063 1.00 2.49 O ATOM 0 H GLU A 63 -0.494 -4.029 10.466 1.00 0.39 H new ATOM 0 HA GLU A 63 0.691 -3.676 7.950 1.00 0.39 H new ATOM 0 HB2 GLU A 63 0.123 -5.816 9.157 1.00 0.44 H new ATOM 0 HB3 GLU A 63 -1.573 -5.520 8.828 1.00 0.44 H new ATOM 0 HG2 GLU A 63 -1.050 -5.495 6.357 1.00 0.71 H new ATOM 0 HG3 GLU A 63 0.615 -5.892 6.731 1.00 0.71 H new ATOM 966 N ALA A 64 -2.444 -2.741 8.090 1.00 0.37 N ATOM 967 CA ALA A 64 -3.476 -1.981 7.408 1.00 0.38 C ATOM 968 C ALA A 64 -2.965 -0.633 6.887 1.00 0.36 C ATOM 969 O ALA A 64 -3.388 -0.159 5.834 1.00 0.39 O ATOM 970 CB ALA A 64 -4.639 -1.808 8.376 1.00 0.43 C ATOM 0 H ALA A 64 -2.670 -2.957 9.061 1.00 0.37 H new ATOM 0 HA ALA A 64 -3.801 -2.525 6.521 1.00 0.38 H new ATOM 0 HB1 ALA A 64 -5.433 -1.239 7.892 1.00 0.43 H new ATOM 0 HB2 ALA A 64 -5.019 -2.787 8.667 1.00 0.43 H new ATOM 0 HB3 ALA A 64 -4.298 -1.273 9.263 1.00 0.43 H new ATOM 976 N GLU A 65 -2.081 0.022 7.637 1.00 0.37 N ATOM 977 CA GLU A 65 -1.488 1.282 7.217 1.00 0.38 C ATOM 978 C GLU A 65 -0.492 1.039 6.095 1.00 0.33 C ATOM 979 O GLU A 65 -0.501 1.769 5.110 1.00 0.37 O ATOM 980 CB GLU A 65 -0.805 1.986 8.386 1.00 0.45 C ATOM 981 CG GLU A 65 -1.712 1.995 9.615 1.00 0.66 C ATOM 982 CD GLU A 65 -1.370 3.154 10.535 1.00 1.11 C ATOM 983 OE1 GLU A 65 -0.456 2.953 11.365 1.00 2.45 O ATOM 984 OE2 GLU A 65 -1.987 4.224 10.360 1.00 1.29 O ATOM 0 H GLU A 65 -1.759 -0.307 8.547 1.00 0.37 H new ATOM 0 HA GLU A 65 -2.286 1.930 6.854 1.00 0.38 H new ATOM 0 HB2 GLU A 65 0.132 1.482 8.623 1.00 0.45 H new ATOM 0 HB3 GLU A 65 -0.555 3.009 8.105 1.00 0.45 H new ATOM 0 HG2 GLU A 65 -2.754 2.069 9.302 1.00 0.66 H new ATOM 0 HG3 GLU A 65 -1.608 1.054 10.155 1.00 0.66 H new ATOM 991 N PHE A 66 0.334 0.003 6.229 1.00 0.29 N ATOM 992 CA PHE A 66 1.250 -0.448 5.194 1.00 0.28 C ATOM 993 C PHE A 66 0.525 -0.630 3.858 1.00 0.27 C ATOM 994 O PHE A 66 0.963 -0.100 2.839 1.00 0.28 O ATOM 995 CB PHE A 66 1.941 -1.724 5.688 1.00 0.30 C ATOM 996 CG PHE A 66 2.662 -2.488 4.610 1.00 0.28 C ATOM 997 CD1 PHE A 66 3.963 -2.117 4.247 1.00 0.28 C ATOM 998 CD2 PHE A 66 2.032 -3.565 3.965 1.00 0.29 C ATOM 999 CE1 PHE A 66 4.625 -2.781 3.213 1.00 0.28 C ATOM 1000 CE2 PHE A 66 2.715 -4.268 2.961 1.00 0.30 C ATOM 1001 CZ PHE A 66 4.016 -3.878 2.594 1.00 0.30 C ATOM 0 H PHE A 66 0.383 -0.556 7.081 1.00 0.29 H new ATOM 0 HA PHE A 66 2.016 0.304 5.005 1.00 0.28 H new ATOM 0 HB2 PHE A 66 2.653 -1.460 6.470 1.00 0.30 H new ATOM 0 HB3 PHE A 66 1.195 -2.375 6.144 1.00 0.30 H new ATOM 0 HD1 PHE A 66 4.457 -1.312 4.771 1.00 0.28 H new ATOM 0 HD2 PHE A 66 1.027 -3.850 4.240 1.00 0.29 H new ATOM 0 HE1 PHE A 66 5.602 -2.450 2.893 1.00 0.28 H new ATOM 0 HE2 PHE A 66 2.243 -5.107 2.471 1.00 0.30 H new ATOM 0 HZ PHE A 66 4.547 -4.428 1.831 1.00 0.30 H new ATOM 1011 N PHE A 67 -0.589 -1.361 3.853 1.00 0.29 N ATOM 1012 CA PHE A 67 -1.393 -1.583 2.662 1.00 0.29 C ATOM 1013 C PHE A 67 -1.932 -0.255 2.123 1.00 0.27 C ATOM 1014 O PHE A 67 -1.865 0.004 0.924 1.00 0.29 O ATOM 1015 CB PHE A 67 -2.529 -2.552 3.003 1.00 0.33 C ATOM 1016 CG PHE A 67 -3.475 -2.835 1.852 1.00 0.34 C ATOM 1017 CD1 PHE A 67 -4.605 -2.018 1.657 1.00 0.35 C ATOM 1018 CD2 PHE A 67 -3.242 -3.925 0.994 1.00 0.44 C ATOM 1019 CE1 PHE A 67 -5.498 -2.291 0.605 1.00 0.41 C ATOM 1020 CE2 PHE A 67 -4.146 -4.210 -0.045 1.00 0.52 C ATOM 1021 CZ PHE A 67 -5.273 -3.392 -0.240 1.00 0.49 C ATOM 0 H PHE A 67 -0.959 -1.818 4.686 1.00 0.29 H new ATOM 0 HA PHE A 67 -0.778 -2.024 1.877 1.00 0.29 H new ATOM 0 HB2 PHE A 67 -2.098 -3.493 3.343 1.00 0.33 H new ATOM 0 HB3 PHE A 67 -3.101 -2.144 3.836 1.00 0.33 H new ATOM 0 HD1 PHE A 67 -4.786 -1.181 2.315 1.00 0.35 H new ATOM 0 HD2 PHE A 67 -2.368 -4.544 1.133 1.00 0.44 H new ATOM 0 HE1 PHE A 67 -6.356 -1.655 0.446 1.00 0.41 H new ATOM 0 HE2 PHE A 67 -3.975 -5.057 -0.693 1.00 0.52 H new ATOM 0 HZ PHE A 67 -5.966 -3.610 -1.039 1.00 0.49 H new ATOM 1031 N ALA A 68 -2.483 0.595 2.993 1.00 0.27 N ATOM 1032 CA ALA A 68 -3.092 1.853 2.591 1.00 0.26 C ATOM 1033 C ALA A 68 -2.081 2.760 1.874 1.00 0.26 C ATOM 1034 O ALA A 68 -2.356 3.284 0.794 1.00 0.27 O ATOM 1035 CB ALA A 68 -3.684 2.507 3.838 1.00 0.29 C ATOM 0 H ALA A 68 -2.516 0.424 3.998 1.00 0.27 H new ATOM 0 HA ALA A 68 -3.888 1.675 1.868 1.00 0.26 H new ATOM 0 HB1 ALA A 68 -4.149 3.455 3.566 1.00 0.29 H new ATOM 0 HB2 ALA A 68 -4.434 1.847 4.274 1.00 0.29 H new ATOM 0 HB3 ALA A 68 -2.892 2.687 4.565 1.00 0.29 H new ATOM 1041 N GLU A 69 -0.894 2.933 2.454 1.00 0.29 N ATOM 1042 CA GLU A 69 0.212 3.637 1.819 1.00 0.33 C ATOM 1043 C GLU A 69 0.576 2.973 0.501 1.00 0.31 C ATOM 1044 O GLU A 69 0.790 3.666 -0.487 1.00 0.32 O ATOM 1045 CB GLU A 69 1.475 3.610 2.701 1.00 0.61 C ATOM 1046 CG GLU A 69 1.444 4.535 3.916 1.00 1.33 C ATOM 1047 CD GLU A 69 1.614 6.008 3.531 1.00 2.95 C ATOM 1048 OE1 GLU A 69 0.911 6.481 2.608 1.00 4.03 O ATOM 1049 OE2 GLU A 69 2.401 6.732 4.175 1.00 3.83 O ATOM 0 H GLU A 69 -0.674 2.584 3.387 1.00 0.29 H new ATOM 0 HA GLU A 69 -0.117 4.665 1.664 1.00 0.33 H new ATOM 0 HB2 GLU A 69 1.635 2.589 3.047 1.00 0.61 H new ATOM 0 HB3 GLU A 69 2.334 3.876 2.085 1.00 0.61 H new ATOM 0 HG2 GLU A 69 0.499 4.407 4.443 1.00 1.33 H new ATOM 0 HG3 GLU A 69 2.236 4.249 4.608 1.00 1.33 H new ATOM 1056 N ALA A 70 0.679 1.645 0.455 1.00 0.32 N ATOM 1057 CA ALA A 70 1.034 0.966 -0.780 1.00 0.34 C ATOM 1058 C ALA A 70 0.050 1.347 -1.887 1.00 0.36 C ATOM 1059 O ALA A 70 0.469 1.590 -3.014 1.00 0.43 O ATOM 1060 CB ALA A 70 1.102 -0.546 -0.566 1.00 0.37 C ATOM 0 H ALA A 70 0.523 1.028 1.252 1.00 0.32 H new ATOM 0 HA ALA A 70 2.027 1.287 -1.093 1.00 0.34 H new ATOM 0 HB1 ALA A 70 1.369 -1.034 -1.503 1.00 0.37 H new ATOM 0 HB2 ALA A 70 1.855 -0.773 0.189 1.00 0.37 H new ATOM 0 HB3 ALA A 70 0.131 -0.910 -0.231 1.00 0.37 H new ATOM 1066 N PHE A 71 -1.241 1.456 -1.562 1.00 0.35 N ATOM 1067 CA PHE A 71 -2.282 1.926 -2.466 1.00 0.42 C ATOM 1068 C PHE A 71 -1.994 3.358 -2.926 1.00 0.40 C ATOM 1069 O PHE A 71 -2.068 3.653 -4.117 1.00 0.45 O ATOM 1070 CB PHE A 71 -3.647 1.818 -1.768 1.00 0.53 C ATOM 1071 CG PHE A 71 -4.800 1.476 -2.693 1.00 0.91 C ATOM 1072 CD1 PHE A 71 -5.246 2.408 -3.646 1.00 1.27 C ATOM 1073 CD2 PHE A 71 -5.441 0.228 -2.585 1.00 2.33 C ATOM 1074 CE1 PHE A 71 -6.326 2.095 -4.491 1.00 1.62 C ATOM 1075 CE2 PHE A 71 -6.524 -0.083 -3.425 1.00 2.79 C ATOM 1076 CZ PHE A 71 -6.966 0.849 -4.378 1.00 2.04 C ATOM 0 H PHE A 71 -1.595 1.212 -0.637 1.00 0.35 H new ATOM 0 HA PHE A 71 -2.299 1.301 -3.359 1.00 0.42 H new ATOM 0 HB2 PHE A 71 -3.584 1.057 -0.990 1.00 0.53 H new ATOM 0 HB3 PHE A 71 -3.864 2.764 -1.272 1.00 0.53 H new ATOM 0 HD1 PHE A 71 -4.758 3.368 -3.730 1.00 1.27 H new ATOM 0 HD2 PHE A 71 -5.100 -0.492 -1.856 1.00 2.33 H new ATOM 0 HE1 PHE A 71 -6.663 2.811 -5.226 1.00 1.62 H new ATOM 0 HE2 PHE A 71 -7.017 -1.040 -3.337 1.00 2.79 H new ATOM 0 HZ PHE A 71 -7.797 0.608 -5.024 1.00 2.04 H new ATOM 1086 N ARG A 72 -1.685 4.268 -1.995 1.00 0.38 N ATOM 1087 CA ARG A 72 -1.344 5.666 -2.276 1.00 0.39 C ATOM 1088 C ARG A 72 -0.232 5.749 -3.331 1.00 0.34 C ATOM 1089 O ARG A 72 -0.365 6.407 -4.367 1.00 0.40 O ATOM 1090 CB ARG A 72 -0.934 6.331 -0.950 1.00 0.46 C ATOM 1091 CG ARG A 72 -0.846 7.849 -1.081 1.00 0.79 C ATOM 1092 CD ARG A 72 0.530 8.467 -0.933 1.00 1.00 C ATOM 1093 NE ARG A 72 1.182 8.225 0.358 1.00 1.20 N ATOM 1094 CZ ARG A 72 2.237 8.932 0.783 1.00 1.26 C ATOM 1095 NH1 ARG A 72 2.779 9.871 0.002 1.00 2.40 N ATOM 1096 NH2 ARG A 72 2.744 8.694 1.992 1.00 2.30 N ATOM 0 H ARG A 72 -1.665 4.046 -1.000 1.00 0.38 H new ATOM 0 HA ARG A 72 -2.202 6.195 -2.690 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.657 6.074 -0.176 1.00 0.46 H new ATOM 0 HB3 ARG A 72 0.030 5.937 -0.629 1.00 0.46 H new ATOM 0 HG2 ARG A 72 -1.242 8.130 -2.057 1.00 0.79 H new ATOM 0 HG3 ARG A 72 -1.501 8.294 -0.332 1.00 0.79 H new ATOM 0 HD2 ARG A 72 1.172 8.082 -1.725 1.00 1.00 H new ATOM 0 HD3 ARG A 72 0.447 9.543 -1.085 1.00 1.00 H new ATOM 0 HE ARG A 72 0.816 7.486 0.958 1.00 1.20 H new ATOM 0 HH11 ARG A 72 2.389 10.052 -0.923 1.00 2.40 H new ATOM 0 HH12 ARG A 72 3.582 10.406 0.331 1.00 2.40 H new ATOM 0 HH21 ARG A 72 2.329 7.977 2.587 1.00 2.30 H new ATOM 0 HH22 ARG A 72 3.547 9.229 2.322 1.00 2.30 H new ATOM 1110 N LEU A 73 0.873 5.067 -3.062 1.00 0.30 N ATOM 1111 CA LEU A 73 2.059 4.979 -3.898 1.00 0.32 C ATOM 1112 C LEU A 73 1.731 4.321 -5.225 1.00 0.38 C ATOM 1113 O LEU A 73 2.300 4.700 -6.239 1.00 0.48 O ATOM 1114 CB LEU A 73 3.139 4.219 -3.143 1.00 0.38 C ATOM 1115 CG LEU A 73 3.822 4.984 -1.981 1.00 0.36 C ATOM 1116 CD1 LEU A 73 5.196 5.557 -2.368 1.00 0.48 C ATOM 1117 CD2 LEU A 73 3.037 6.144 -1.373 1.00 0.37 C ATOM 0 H LEU A 73 0.969 4.528 -2.201 1.00 0.30 H new ATOM 0 HA LEU A 73 2.428 5.979 -4.123 1.00 0.32 H new ATOM 0 HB2 LEU A 73 2.700 3.306 -2.742 1.00 0.38 H new ATOM 0 HB3 LEU A 73 3.908 3.917 -3.854 1.00 0.38 H new ATOM 0 HG LEU A 73 3.898 4.194 -1.234 1.00 0.36 H new ATOM 0 HD11 LEU A 73 5.625 6.081 -1.514 1.00 0.48 H new ATOM 0 HD12 LEU A 73 5.859 4.744 -2.665 1.00 0.48 H new ATOM 0 HD13 LEU A 73 5.079 6.252 -3.199 1.00 0.48 H new ATOM 0 HD21 LEU A 73 3.620 6.597 -0.571 1.00 0.37 H new ATOM 0 HD22 LEU A 73 2.836 6.890 -2.142 1.00 0.37 H new ATOM 0 HD23 LEU A 73 2.094 5.774 -0.971 1.00 0.37 H new ATOM 1129 N MET A 74 0.803 3.367 -5.241 1.00 0.40 N ATOM 1130 CA MET A 74 0.461 2.595 -6.430 1.00 0.49 C ATOM 1131 C MET A 74 0.114 3.497 -7.615 1.00 0.36 C ATOM 1132 O MET A 74 0.523 3.244 -8.749 1.00 0.36 O ATOM 1133 CB MET A 74 -0.708 1.643 -6.128 1.00 0.74 C ATOM 1134 CG MET A 74 -0.573 0.331 -6.898 1.00 0.93 C ATOM 1135 SD MET A 74 -1.933 -0.057 -8.031 1.00 1.73 S ATOM 1136 CE MET A 74 -1.300 0.662 -9.565 1.00 2.45 C ATOM 0 H MET A 74 0.261 3.106 -4.417 1.00 0.40 H new ATOM 0 HA MET A 74 1.339 2.012 -6.706 1.00 0.49 H new ATOM 0 HB2 MET A 74 -0.744 1.437 -5.058 1.00 0.74 H new ATOM 0 HB3 MET A 74 -1.649 2.126 -6.391 1.00 0.74 H new ATOM 0 HG2 MET A 74 0.355 0.360 -7.469 1.00 0.93 H new ATOM 0 HG3 MET A 74 -0.479 -0.483 -6.179 1.00 0.93 H new ATOM 0 HE1 MET A 74 -1.890 0.300 -10.407 1.00 2.45 H new ATOM 0 HE2 MET A 74 -1.370 1.749 -9.514 1.00 2.45 H new ATOM 0 HE3 MET A 74 -0.258 0.372 -9.700 1.00 2.45 H new ATOM 1146 N HIS A 75 -0.712 4.516 -7.364 1.00 0.39 N ATOM 1147 CA HIS A 75 -1.145 5.465 -8.384 1.00 0.46 C ATOM 1148 C HIS A 75 -0.343 6.764 -8.421 1.00 0.46 C ATOM 1149 O HIS A 75 -0.486 7.463 -9.417 1.00 0.74 O ATOM 1150 CB HIS A 75 -2.646 5.747 -8.272 1.00 0.62 C ATOM 1151 CG HIS A 75 -3.061 6.111 -6.876 1.00 0.81 C ATOM 1152 ND1 HIS A 75 -2.753 7.289 -6.224 1.00 1.20 N ATOM 1153 CD2 HIS A 75 -3.624 5.249 -5.977 1.00 1.49 C ATOM 1154 CE1 HIS A 75 -3.108 7.127 -4.939 1.00 1.83 C ATOM 1155 NE2 HIS A 75 -3.668 5.913 -4.772 1.00 1.95 N ATOM 0 H HIS A 75 -1.100 4.704 -6.440 1.00 0.39 H new ATOM 0 HA HIS A 75 -0.943 4.975 -9.337 1.00 0.46 H new ATOM 0 HB2 HIS A 75 -2.911 6.559 -8.949 1.00 0.62 H new ATOM 0 HB3 HIS A 75 -3.203 4.867 -8.595 1.00 0.62 H new ATOM 0 HD2 HIS A 75 -3.967 4.244 -6.174 1.00 1.49 H new ATOM 0 HE1 HIS A 75 -2.966 7.859 -4.158 1.00 1.83 H new ATOM 0 HE2 HIS A 75 -4.057 5.549 -3.903 1.00 1.95 H new ATOM 1164 N SER A 76 0.386 7.118 -7.348 1.00 0.43 N ATOM 1165 CA SER A 76 1.162 8.350 -7.177 1.00 0.49 C ATOM 1166 C SER A 76 1.471 9.050 -8.488 1.00 0.54 C ATOM 1167 O SER A 76 2.125 8.516 -9.378 1.00 0.54 O ATOM 1168 CB SER A 76 2.420 8.071 -6.358 1.00 0.57 C ATOM 1169 OG SER A 76 2.049 7.994 -4.998 1.00 1.17 O ATOM 0 H SER A 76 0.450 6.512 -6.530 1.00 0.43 H new ATOM 0 HA SER A 76 0.540 9.052 -6.622 1.00 0.49 H new ATOM 0 HB2 SER A 76 2.885 7.139 -6.679 1.00 0.57 H new ATOM 0 HB3 SER A 76 3.155 8.862 -6.508 1.00 0.57 H new ATOM 0 HG SER A 76 1.231 7.461 -4.912 1.00 1.17 H new ATOM 1175 N THR A 77 0.935 10.262 -8.579 1.00 0.71 N ATOM 1176 CA THR A 77 1.035 11.157 -9.715 1.00 0.88 C ATOM 1177 C THR A 77 2.469 11.203 -10.218 1.00 0.79 C ATOM 1178 O THR A 77 2.707 11.100 -11.423 1.00 0.83 O ATOM 1179 CB THR A 77 0.536 12.538 -9.277 1.00 1.15 C ATOM 1180 OG1 THR A 77 0.956 12.777 -7.948 1.00 1.18 O ATOM 1181 CG2 THR A 77 -0.993 12.581 -9.303 1.00 1.32 C ATOM 0 H THR A 77 0.389 10.664 -7.817 1.00 0.71 H new ATOM 0 HA THR A 77 0.420 10.805 -10.543 1.00 0.88 H new ATOM 0 HB THR A 77 0.938 13.289 -9.957 1.00 1.15 H new ATOM 0 HG1 THR A 77 0.643 13.660 -7.660 1.00 1.18 H new ATOM 0 HG21 THR A 77 -1.335 13.568 -8.990 1.00 1.32 H new ATOM 0 HG22 THR A 77 -1.346 12.379 -10.314 1.00 1.32 H new ATOM 0 HG23 THR A 77 -1.390 11.827 -8.623 1.00 1.32 H new ATOM 1189 N ASP A 78 3.433 11.305 -9.303 1.00 0.72 N ATOM 1190 CA ASP A 78 4.806 11.111 -9.732 1.00 0.60 C ATOM 1191 C ASP A 78 5.058 9.622 -9.946 1.00 0.52 C ATOM 1192 O ASP A 78 5.217 8.849 -9.002 1.00 0.53 O ATOM 1193 CB ASP A 78 5.844 11.721 -8.790 1.00 0.68 C ATOM 1194 CG ASP A 78 7.229 11.630 -9.443 1.00 0.81 C ATOM 1195 OD1 ASP A 78 7.296 11.175 -10.614 1.00 1.91 O ATOM 1196 OD2 ASP A 78 8.219 11.996 -8.780 1.00 1.74 O ATOM 0 H ASP A 78 3.297 11.510 -8.313 1.00 0.72 H new ATOM 0 HA ASP A 78 4.930 11.651 -10.671 1.00 0.60 H new ATOM 0 HB2 ASP A 78 5.595 12.761 -8.579 1.00 0.68 H new ATOM 0 HB3 ASP A 78 5.842 11.193 -7.836 1.00 0.68 H new ATOM 1201 N HIS A 79 5.166 9.234 -11.217 1.00 0.52 N ATOM 1202 CA HIS A 79 5.600 7.908 -11.634 1.00 0.49 C ATOM 1203 C HIS A 79 6.772 7.378 -10.803 1.00 0.46 C ATOM 1204 O HIS A 79 6.839 6.184 -10.525 1.00 0.45 O ATOM 1205 CB HIS A 79 5.931 7.914 -13.132 1.00 0.59 C ATOM 1206 CG HIS A 79 7.191 8.663 -13.513 1.00 1.92 C ATOM 1207 ND1 HIS A 79 7.598 9.901 -13.039 1.00 3.32 N ATOM 1208 CD2 HIS A 79 8.144 8.214 -14.386 1.00 3.07 C ATOM 1209 CE1 HIS A 79 8.785 10.184 -13.603 1.00 4.47 C ATOM 1210 NE2 HIS A 79 9.133 9.179 -14.433 1.00 4.35 N ATOM 0 H HIS A 79 4.948 9.850 -12.000 1.00 0.52 H new ATOM 0 HA HIS A 79 4.773 7.220 -11.456 1.00 0.49 H new ATOM 0 HB2 HIS A 79 6.025 6.882 -13.471 1.00 0.59 H new ATOM 0 HB3 HIS A 79 5.091 8.351 -13.671 1.00 0.59 H new ATOM 0 HD1 HIS A 79 7.088 10.491 -12.381 1.00 3.32 H new ATOM 0 HD2 HIS A 79 8.127 7.283 -14.934 1.00 3.07 H new ATOM 0 HE1 HIS A 79 9.368 11.075 -13.421 1.00 4.47 H new ATOM 1219 N ALA A 80 7.702 8.248 -10.415 1.00 0.50 N ATOM 1220 CA ALA A 80 8.869 7.861 -9.647 1.00 0.52 C ATOM 1221 C ALA A 80 8.465 7.200 -8.338 1.00 0.49 C ATOM 1222 O ALA A 80 9.029 6.174 -7.985 1.00 0.46 O ATOM 1223 CB ALA A 80 9.720 9.085 -9.346 1.00 0.64 C ATOM 0 H ALA A 80 7.661 9.245 -10.629 1.00 0.50 H new ATOM 0 HA ALA A 80 9.442 7.147 -10.239 1.00 0.52 H new ATOM 0 HB1 ALA A 80 10.595 8.787 -8.769 1.00 0.64 H new ATOM 0 HB2 ALA A 80 10.041 9.544 -10.281 1.00 0.64 H new ATOM 0 HB3 ALA A 80 9.134 9.803 -8.772 1.00 0.64 H new ATOM 1229 N GLU A 81 7.508 7.774 -7.606 1.00 0.54 N ATOM 1230 CA GLU A 81 7.059 7.225 -6.336 1.00 0.56 C ATOM 1231 C GLU A 81 6.517 5.815 -6.515 1.00 0.48 C ATOM 1232 O GLU A 81 6.723 4.942 -5.672 1.00 0.53 O ATOM 1233 CB GLU A 81 6.018 8.147 -5.695 1.00 0.63 C ATOM 1234 CG GLU A 81 6.695 9.072 -4.684 1.00 0.75 C ATOM 1235 CD GLU A 81 5.681 10.033 -4.070 1.00 1.44 C ATOM 1236 OE1 GLU A 81 5.183 10.886 -4.838 1.00 2.52 O ATOM 1237 OE2 GLU A 81 5.424 9.884 -2.853 1.00 2.33 O ATOM 0 H GLU A 81 7.027 8.630 -7.881 1.00 0.54 H new ATOM 0 HA GLU A 81 7.914 7.163 -5.663 1.00 0.56 H new ATOM 0 HB2 GLU A 81 5.519 8.737 -6.464 1.00 0.63 H new ATOM 0 HB3 GLU A 81 5.249 7.553 -5.200 1.00 0.63 H new ATOM 0 HG2 GLU A 81 7.164 8.479 -3.898 1.00 0.75 H new ATOM 0 HG3 GLU A 81 7.488 9.637 -5.174 1.00 0.75 H new ATOM 1244 N ARG A 82 5.866 5.564 -7.645 1.00 0.40 N ATOM 1245 CA ARG A 82 5.343 4.232 -7.908 1.00 0.38 C ATOM 1246 C ARG A 82 6.509 3.267 -8.025 1.00 0.43 C ATOM 1247 O ARG A 82 6.532 2.224 -7.374 1.00 0.47 O ATOM 1248 CB ARG A 82 4.542 4.222 -9.204 1.00 0.34 C ATOM 1249 CG ARG A 82 3.355 5.166 -9.075 1.00 0.33 C ATOM 1250 CD ARG A 82 2.876 5.598 -10.452 1.00 0.38 C ATOM 1251 NE ARG A 82 1.619 4.937 -10.815 1.00 0.59 N ATOM 1252 CZ ARG A 82 0.728 5.397 -11.697 1.00 1.58 C ATOM 1253 NH1 ARG A 82 0.868 6.612 -12.228 1.00 2.81 N ATOM 1254 NH2 ARG A 82 -0.301 4.624 -12.046 1.00 1.65 N ATOM 0 H ARG A 82 5.691 6.250 -8.379 1.00 0.40 H new ATOM 0 HA ARG A 82 4.685 3.933 -7.092 1.00 0.38 H new ATOM 0 HB2 ARG A 82 5.175 4.528 -10.037 1.00 0.34 H new ATOM 0 HB3 ARG A 82 4.195 3.212 -9.422 1.00 0.34 H new ATOM 0 HG2 ARG A 82 2.545 4.672 -8.538 1.00 0.33 H new ATOM 0 HG3 ARG A 82 3.638 6.041 -8.490 1.00 0.33 H new ATOM 0 HD2 ARG A 82 2.738 6.679 -10.468 1.00 0.38 H new ATOM 0 HD3 ARG A 82 3.639 5.364 -11.194 1.00 0.38 H new ATOM 0 HE ARG A 82 1.407 4.051 -10.355 1.00 0.59 H new ATOM 0 HH11 ARG A 82 1.660 7.197 -11.961 1.00 2.81 H new ATOM 0 HH12 ARG A 82 0.183 6.956 -12.901 1.00 2.81 H new ATOM 0 HH21 ARG A 82 -0.400 3.693 -11.640 1.00 1.65 H new ATOM 0 HH22 ARG A 82 -0.989 4.963 -12.719 1.00 1.65 H new ATOM 1268 N LEU A 83 7.492 3.625 -8.853 1.00 0.43 N ATOM 1269 CA LEU A 83 8.710 2.848 -8.968 1.00 0.45 C ATOM 1270 C LEU A 83 9.474 2.796 -7.654 1.00 0.50 C ATOM 1271 O LEU A 83 10.222 1.852 -7.461 1.00 0.54 O ATOM 1272 CB LEU A 83 9.635 3.356 -10.079 1.00 0.45 C ATOM 1273 CG LEU A 83 9.243 2.906 -11.493 1.00 0.46 C ATOM 1274 CD1 LEU A 83 8.717 1.471 -11.566 1.00 0.48 C ATOM 1275 CD2 LEU A 83 8.205 3.835 -12.120 1.00 0.45 C ATOM 0 H LEU A 83 7.461 4.451 -9.451 1.00 0.43 H new ATOM 0 HA LEU A 83 8.389 1.840 -9.232 1.00 0.45 H new ATOM 0 HB2 LEU A 83 9.651 4.445 -10.050 1.00 0.45 H new ATOM 0 HB3 LEU A 83 10.650 3.016 -9.872 1.00 0.45 H new ATOM 0 HG LEU A 83 10.176 2.950 -12.056 1.00 0.46 H new ATOM 0 HD11 LEU A 83 8.462 1.229 -12.598 1.00 0.48 H new ATOM 0 HD12 LEU A 83 9.485 0.784 -11.211 1.00 0.48 H new ATOM 0 HD13 LEU A 83 7.829 1.377 -10.941 1.00 0.48 H new ATOM 0 HD21 LEU A 83 7.956 3.480 -13.120 1.00 0.45 H new ATOM 0 HD22 LEU A 83 7.306 3.845 -11.504 1.00 0.45 H new ATOM 0 HD23 LEU A 83 8.612 4.844 -12.184 1.00 0.45 H new ATOM 1287 N LYS A 84 9.335 3.754 -6.740 1.00 0.49 N ATOM 1288 CA LYS A 84 10.017 3.648 -5.457 1.00 0.48 C ATOM 1289 C LYS A 84 9.408 2.513 -4.661 1.00 0.42 C ATOM 1290 O LYS A 84 10.150 1.782 -4.016 1.00 0.43 O ATOM 1291 CB LYS A 84 9.941 4.956 -4.668 1.00 0.49 C ATOM 1292 CG LYS A 84 10.978 5.976 -5.153 1.00 0.64 C ATOM 1293 CD LYS A 84 12.409 5.597 -4.764 1.00 2.51 C ATOM 1294 CE LYS A 84 13.355 6.766 -5.065 1.00 2.40 C ATOM 1295 NZ LYS A 84 13.357 7.779 -3.985 1.00 2.80 N ATOM 0 H LYS A 84 8.769 4.594 -6.861 1.00 0.49 H new ATOM 0 HA LYS A 84 11.072 3.444 -5.641 1.00 0.48 H new ATOM 0 HB2 LYS A 84 8.942 5.380 -4.764 1.00 0.49 H new ATOM 0 HB3 LYS A 84 10.100 4.751 -3.609 1.00 0.49 H new ATOM 0 HG2 LYS A 84 10.913 6.066 -6.237 1.00 0.64 H new ATOM 0 HG3 LYS A 84 10.740 6.955 -4.737 1.00 0.64 H new ATOM 0 HD2 LYS A 84 12.453 5.345 -3.704 1.00 2.51 H new ATOM 0 HD3 LYS A 84 12.723 4.711 -5.316 1.00 2.51 H new ATOM 0 HE2 LYS A 84 14.367 6.385 -5.205 1.00 2.40 H new ATOM 0 HE3 LYS A 84 13.060 7.238 -6.002 1.00 2.40 H new ATOM 0 HZ1 LYS A 84 14.010 8.549 -4.233 1.00 2.80 H new ATOM 0 HZ2 LYS A 84 12.398 8.163 -3.868 1.00 2.80 H new ATOM 0 HZ3 LYS A 84 13.664 7.337 -3.095 1.00 2.80 H new ATOM 1309 N VAL A 85 8.087 2.348 -4.709 1.00 0.40 N ATOM 1310 CA VAL A 85 7.476 1.144 -4.174 1.00 0.39 C ATOM 1311 C VAL A 85 7.990 -0.071 -4.932 1.00 0.34 C ATOM 1312 O VAL A 85 8.692 -0.857 -4.321 1.00 0.35 O ATOM 1313 CB VAL A 85 5.947 1.255 -4.097 1.00 0.42 C ATOM 1314 CG1 VAL A 85 5.266 -0.060 -3.692 1.00 0.47 C ATOM 1315 CG2 VAL A 85 5.654 2.257 -2.993 1.00 0.53 C ATOM 0 H VAL A 85 7.433 3.023 -5.106 1.00 0.40 H new ATOM 0 HA VAL A 85 7.778 1.013 -3.135 1.00 0.39 H new ATOM 0 HB VAL A 85 5.571 1.537 -5.080 1.00 0.42 H new ATOM 0 HG11 VAL A 85 4.186 0.085 -3.656 1.00 0.47 H new ATOM 0 HG12 VAL A 85 5.504 -0.833 -4.423 1.00 0.47 H new ATOM 0 HG13 VAL A 85 5.624 -0.367 -2.709 1.00 0.47 H new ATOM 0 HG21 VAL A 85 4.576 2.380 -2.890 1.00 0.53 H new ATOM 0 HG22 VAL A 85 6.070 1.895 -2.053 1.00 0.53 H new ATOM 0 HG23 VAL A 85 6.106 3.217 -3.243 1.00 0.53 H new ATOM 1325 N GLN A 86 7.705 -0.254 -6.225 1.00 0.47 N ATOM 1326 CA GLN A 86 8.093 -1.493 -6.912 1.00 0.46 C ATOM 1327 C GLN A 86 9.554 -1.878 -6.649 1.00 0.45 C ATOM 1328 O GLN A 86 9.862 -3.026 -6.353 1.00 0.49 O ATOM 1329 CB GLN A 86 7.851 -1.394 -8.431 1.00 0.52 C ATOM 1330 CG GLN A 86 6.558 -2.095 -8.866 1.00 0.75 C ATOM 1331 CD GLN A 86 6.643 -2.664 -10.281 1.00 1.13 C ATOM 1332 OE1 GLN A 86 7.600 -3.338 -10.636 1.00 1.75 O ATOM 1333 NE2 GLN A 86 5.634 -2.440 -11.113 1.00 2.15 N ATOM 0 H GLN A 86 7.217 0.425 -6.809 1.00 0.47 H new ATOM 0 HA GLN A 86 7.458 -2.277 -6.499 1.00 0.46 H new ATOM 0 HB2 GLN A 86 7.807 -0.344 -8.721 1.00 0.52 H new ATOM 0 HB3 GLN A 86 8.696 -1.836 -8.960 1.00 0.52 H new ATOM 0 HG2 GLN A 86 6.334 -2.901 -8.168 1.00 0.75 H new ATOM 0 HG3 GLN A 86 5.730 -1.388 -8.812 1.00 0.75 H new ATOM 0 HE21 GLN A 86 4.839 -1.877 -10.811 1.00 2.15 H new ATOM 0 HE22 GLN A 86 5.653 -2.831 -12.055 1.00 2.15 H new ATOM 1342 N LYS A 87 10.457 -0.907 -6.744 1.00 0.45 N ATOM 1343 CA LYS A 87 11.876 -1.060 -6.489 1.00 0.45 C ATOM 1344 C LYS A 87 12.114 -1.506 -5.045 1.00 0.45 C ATOM 1345 O LYS A 87 12.736 -2.537 -4.814 1.00 0.55 O ATOM 1346 CB LYS A 87 12.549 0.287 -6.789 1.00 0.61 C ATOM 1347 CG LYS A 87 14.056 0.244 -6.538 1.00 0.75 C ATOM 1348 CD LYS A 87 14.567 1.533 -5.887 1.00 1.33 C ATOM 1349 CE LYS A 87 15.799 1.118 -5.077 1.00 2.60 C ATOM 1350 NZ LYS A 87 16.253 2.178 -4.162 1.00 3.39 N ATOM 0 H LYS A 87 10.205 0.044 -7.012 1.00 0.45 H new ATOM 0 HA LYS A 87 12.306 -1.832 -7.128 1.00 0.45 H new ATOM 0 HB2 LYS A 87 12.362 0.562 -7.827 1.00 0.61 H new ATOM 0 HB3 LYS A 87 12.100 1.062 -6.168 1.00 0.61 H new ATOM 0 HG2 LYS A 87 14.292 -0.605 -5.896 1.00 0.75 H new ATOM 0 HG3 LYS A 87 14.576 0.084 -7.482 1.00 0.75 H new ATOM 0 HD2 LYS A 87 14.824 2.278 -6.640 1.00 1.33 H new ATOM 0 HD3 LYS A 87 13.806 1.978 -5.245 1.00 1.33 H new ATOM 0 HE2 LYS A 87 15.567 0.221 -4.503 1.00 2.60 H new ATOM 0 HE3 LYS A 87 16.609 0.860 -5.759 1.00 2.60 H new ATOM 0 HZ1 LYS A 87 17.208 1.953 -3.816 1.00 3.39 H new ATOM 0 HZ2 LYS A 87 16.273 3.087 -4.667 1.00 3.39 H new ATOM 0 HZ3 LYS A 87 15.599 2.244 -3.356 1.00 3.39 H new ATOM 1364 N ASN A 88 11.674 -0.712 -4.068 1.00 0.38 N ATOM 1365 CA ASN A 88 11.924 -0.982 -2.654 1.00 0.37 C ATOM 1366 C ASN A 88 10.875 -1.944 -2.086 1.00 0.61 C ATOM 1367 O ASN A 88 10.731 -2.010 -0.869 1.00 1.25 O ATOM 1368 CB ASN A 88 11.882 0.310 -1.815 1.00 0.41 C ATOM 1369 CG ASN A 88 12.839 1.424 -2.229 1.00 0.45 C ATOM 1370 OD1 ASN A 88 13.901 1.216 -2.814 1.00 0.94 O ATOM 1371 ND2 ASN A 88 12.487 2.658 -1.890 1.00 1.01 N ATOM 0 H ASN A 88 11.134 0.137 -4.236 1.00 0.38 H new ATOM 0 HA ASN A 88 12.917 -1.427 -2.595 1.00 0.37 H new ATOM 0 HB2 ASN A 88 10.866 0.704 -1.847 1.00 0.41 H new ATOM 0 HB3 ASN A 88 12.091 0.050 -0.777 1.00 0.41 H new ATOM 0 HD21 ASN A 88 13.099 3.443 -2.114 1.00 1.01 H new ATOM 0 HD22 ASN A 88 11.605 2.822 -1.405 1.00 1.01 H new ATOM 1378 N ALA A 89 10.104 -2.621 -2.942 1.00 0.31 N ATOM 1379 CA ALA A 89 9.046 -3.544 -2.588 1.00 0.32 C ATOM 1380 C ALA A 89 8.586 -4.281 -3.846 1.00 0.34 C ATOM 1381 O ALA A 89 7.470 -4.049 -4.325 1.00 0.31 O ATOM 1382 CB ALA A 89 7.865 -2.789 -1.979 1.00 0.32 C ATOM 0 H ALA A 89 10.215 -2.528 -3.952 1.00 0.31 H new ATOM 0 HA ALA A 89 9.422 -4.257 -1.854 1.00 0.32 H new ATOM 0 HB1 ALA A 89 7.077 -3.496 -1.718 1.00 0.32 H new ATOM 0 HB2 ALA A 89 8.193 -2.263 -1.082 1.00 0.32 H new ATOM 0 HB3 ALA A 89 7.482 -2.069 -2.702 1.00 0.32 H new ATOM 1388 N PRO A 90 9.412 -5.195 -4.378 1.00 0.46 N ATOM 1389 CA PRO A 90 9.146 -5.909 -5.622 1.00 0.59 C ATOM 1390 C PRO A 90 8.203 -7.093 -5.377 1.00 0.83 C ATOM 1391 O PRO A 90 8.502 -8.230 -5.732 1.00 1.82 O ATOM 1392 CB PRO A 90 10.536 -6.338 -6.109 1.00 0.66 C ATOM 1393 CG PRO A 90 11.298 -6.577 -4.805 1.00 0.66 C ATOM 1394 CD PRO A 90 10.758 -5.470 -3.903 1.00 0.54 C ATOM 0 HA PRO A 90 8.636 -5.303 -6.371 1.00 0.59 H new ATOM 0 HB2 PRO A 90 10.489 -7.239 -6.720 1.00 0.66 H new ATOM 0 HB3 PRO A 90 11.007 -5.565 -6.716 1.00 0.66 H new ATOM 0 HG2 PRO A 90 11.101 -7.568 -4.395 1.00 0.66 H new ATOM 0 HG3 PRO A 90 12.376 -6.498 -4.944 1.00 0.66 H new ATOM 0 HD2 PRO A 90 10.748 -5.785 -2.860 1.00 0.54 H new ATOM 0 HD3 PRO A 90 11.383 -4.579 -3.960 1.00 0.54 H new ATOM 1402 N LYS A 91 7.063 -6.826 -4.738 1.00 0.43 N ATOM 1403 CA LYS A 91 5.973 -7.753 -4.490 1.00 0.44 C ATOM 1404 C LYS A 91 4.765 -6.983 -3.940 1.00 0.40 C ATOM 1405 O LYS A 91 3.659 -7.165 -4.438 1.00 0.46 O ATOM 1406 CB LYS A 91 6.399 -8.957 -3.624 1.00 0.58 C ATOM 1407 CG LYS A 91 7.287 -8.717 -2.388 1.00 1.01 C ATOM 1408 CD LYS A 91 8.803 -8.701 -2.648 1.00 1.58 C ATOM 1409 CE LYS A 91 9.522 -9.269 -1.418 1.00 2.08 C ATOM 1410 NZ LYS A 91 10.979 -9.021 -1.433 1.00 3.20 N ATOM 0 H LYS A 91 6.871 -5.899 -4.359 1.00 0.43 H new ATOM 0 HA LYS A 91 5.671 -8.207 -5.434 1.00 0.44 H new ATOM 0 HB2 LYS A 91 5.491 -9.454 -3.284 1.00 0.58 H new ATOM 0 HB3 LYS A 91 6.923 -9.659 -4.273 1.00 0.58 H new ATOM 0 HG2 LYS A 91 7.004 -7.765 -1.940 1.00 1.01 H new ATOM 0 HG3 LYS A 91 7.071 -9.492 -1.653 1.00 1.01 H new ATOM 0 HD2 LYS A 91 9.041 -9.294 -3.531 1.00 1.58 H new ATOM 0 HD3 LYS A 91 9.141 -7.684 -2.846 1.00 1.58 H new ATOM 0 HE2 LYS A 91 9.094 -8.828 -0.518 1.00 2.08 H new ATOM 0 HE3 LYS A 91 9.343 -10.343 -1.363 1.00 2.08 H new ATOM 0 HZ1 LYS A 91 11.480 -9.875 -1.115 1.00 3.20 H new ATOM 0 HZ2 LYS A 91 11.281 -8.783 -2.399 1.00 3.20 H new ATOM 0 HZ3 LYS A 91 11.203 -8.231 -0.795 1.00 3.20 H new ATOM 1424 N THR A 92 4.958 -6.067 -2.985 1.00 0.34 N ATOM 1425 CA THR A 92 3.886 -5.242 -2.417 1.00 0.30 C ATOM 1426 C THR A 92 3.079 -4.534 -3.501 1.00 0.34 C ATOM 1427 O THR A 92 1.854 -4.570 -3.485 1.00 0.38 O ATOM 1428 CB THR A 92 4.494 -4.214 -1.460 1.00 0.23 C ATOM 1429 OG1 THR A 92 5.455 -4.884 -0.684 1.00 0.27 O ATOM 1430 CG2 THR A 92 3.486 -3.560 -0.510 1.00 0.26 C ATOM 0 H THR A 92 5.874 -5.875 -2.580 1.00 0.34 H new ATOM 0 HA THR A 92 3.202 -5.897 -1.877 1.00 0.30 H new ATOM 0 HB THR A 92 4.908 -3.410 -2.069 1.00 0.23 H new ATOM 0 HG1 THR A 92 5.542 -4.439 0.185 1.00 0.27 H new ATOM 0 HG21 THR A 92 4.002 -2.846 0.132 1.00 0.26 H new ATOM 0 HG22 THR A 92 2.723 -3.041 -1.090 1.00 0.26 H new ATOM 0 HG23 THR A 92 3.015 -4.327 0.105 1.00 0.26 H new ATOM 1438 N PHE A 93 3.749 -3.893 -4.461 1.00 0.38 N ATOM 1439 CA PHE A 93 3.032 -3.244 -5.556 1.00 0.46 C ATOM 1440 C PHE A 93 2.168 -4.243 -6.294 1.00 0.49 C ATOM 1441 O PHE A 93 0.999 -3.990 -6.579 1.00 0.52 O ATOM 1442 CB PHE A 93 4.035 -2.649 -6.541 1.00 0.52 C ATOM 1443 CG PHE A 93 3.475 -1.557 -7.432 1.00 0.69 C ATOM 1444 CD1 PHE A 93 2.732 -1.883 -8.583 1.00 1.79 C ATOM 1445 CD2 PHE A 93 3.733 -0.208 -7.130 1.00 1.59 C ATOM 1446 CE1 PHE A 93 2.255 -0.862 -9.425 1.00 1.89 C ATOM 1447 CE2 PHE A 93 3.263 0.810 -7.972 1.00 1.68 C ATOM 1448 CZ PHE A 93 2.524 0.486 -9.122 1.00 1.08 C ATOM 0 H PHE A 93 4.765 -3.811 -4.502 1.00 0.38 H new ATOM 0 HA PHE A 93 2.400 -2.461 -5.136 1.00 0.46 H new ATOM 0 HB2 PHE A 93 4.878 -2.245 -5.981 1.00 0.52 H new ATOM 0 HB3 PHE A 93 4.424 -3.449 -7.171 1.00 0.52 H new ATOM 0 HD1 PHE A 93 2.528 -2.917 -8.819 1.00 1.79 H new ATOM 0 HD2 PHE A 93 4.297 0.045 -6.244 1.00 1.59 H new ATOM 0 HE1 PHE A 93 1.682 -1.113 -10.305 1.00 1.89 H new ATOM 0 HE2 PHE A 93 3.469 1.844 -7.736 1.00 1.68 H new ATOM 0 HZ PHE A 93 2.163 1.269 -9.772 1.00 1.08 H new ATOM 1458 N GLN A 94 2.778 -5.381 -6.615 1.00 0.50 N ATOM 1459 CA GLN A 94 2.111 -6.430 -7.348 1.00 0.53 C ATOM 1460 C GLN A 94 0.855 -6.887 -6.609 1.00 0.49 C ATOM 1461 O GLN A 94 -0.092 -7.309 -7.253 1.00 0.51 O ATOM 1462 CB GLN A 94 3.061 -7.603 -7.622 1.00 0.58 C ATOM 1463 CG GLN A 94 2.862 -8.077 -9.065 1.00 1.04 C ATOM 1464 CD GLN A 94 3.638 -9.357 -9.345 1.00 1.10 C ATOM 1465 OE1 GLN A 94 4.858 -9.386 -9.245 1.00 1.49 O ATOM 1466 NE2 GLN A 94 2.948 -10.433 -9.702 1.00 1.43 N ATOM 0 H GLN A 94 3.746 -5.592 -6.371 1.00 0.50 H new ATOM 0 HA GLN A 94 1.803 -6.030 -8.314 1.00 0.53 H new ATOM 0 HB2 GLN A 94 4.095 -7.295 -7.466 1.00 0.58 H new ATOM 0 HB3 GLN A 94 2.863 -8.419 -6.927 1.00 0.58 H new ATOM 0 HG2 GLN A 94 1.801 -8.246 -9.250 1.00 1.04 H new ATOM 0 HG3 GLN A 94 3.186 -7.296 -9.753 1.00 1.04 H new ATOM 0 HE21 GLN A 94 1.932 -10.385 -9.779 1.00 1.43 H new ATOM 0 HE22 GLN A 94 3.434 -11.308 -9.900 1.00 1.43 H new ATOM 1475 N PHE A 95 0.832 -6.784 -5.278 1.00 0.48 N ATOM 1476 CA PHE A 95 -0.279 -7.205 -4.436 1.00 0.49 C ATOM 1477 C PHE A 95 -1.539 -6.419 -4.798 1.00 0.52 C ATOM 1478 O PHE A 95 -2.554 -6.994 -5.187 1.00 0.55 O ATOM 1479 CB PHE A 95 0.130 -6.992 -2.971 1.00 0.53 C ATOM 1480 CG PHE A 95 -0.674 -7.734 -1.930 1.00 0.62 C ATOM 1481 CD1 PHE A 95 -2.060 -7.536 -1.813 1.00 0.64 C ATOM 1482 CD2 PHE A 95 -0.008 -8.568 -1.017 1.00 0.90 C ATOM 1483 CE1 PHE A 95 -2.779 -8.208 -0.811 1.00 0.77 C ATOM 1484 CE2 PHE A 95 -0.721 -9.208 0.008 1.00 1.08 C ATOM 1485 CZ PHE A 95 -2.112 -9.042 0.103 1.00 0.96 C ATOM 0 H PHE A 95 1.610 -6.394 -4.746 1.00 0.48 H new ATOM 0 HA PHE A 95 -0.508 -8.259 -4.591 1.00 0.49 H new ATOM 0 HB2 PHE A 95 1.176 -7.281 -2.864 1.00 0.53 H new ATOM 0 HB3 PHE A 95 0.070 -5.926 -2.752 1.00 0.53 H new ATOM 0 HD1 PHE A 95 -2.571 -6.869 -2.492 1.00 0.64 H new ATOM 0 HD2 PHE A 95 1.058 -8.717 -1.104 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -3.850 -8.083 -0.742 1.00 0.77 H new ATOM 0 HE2 PHE A 95 -0.200 -9.828 0.723 1.00 1.08 H new ATOM 0 HZ PHE A 95 -2.667 -9.553 0.875 1.00 0.96 H new ATOM 1495 N ILE A 96 -1.487 -5.093 -4.651 1.00 0.56 N ATOM 1496 CA ILE A 96 -2.605 -4.228 -5.000 1.00 0.64 C ATOM 1497 C ILE A 96 -2.929 -4.428 -6.477 1.00 0.63 C ATOM 1498 O ILE A 96 -4.096 -4.497 -6.842 1.00 0.73 O ATOM 1499 CB ILE A 96 -2.295 -2.755 -4.665 1.00 0.73 C ATOM 1500 CG1 ILE A 96 -2.283 -2.509 -3.145 1.00 0.94 C ATOM 1501 CG2 ILE A 96 -3.360 -1.813 -5.230 1.00 0.80 C ATOM 1502 CD1 ILE A 96 -0.902 -2.706 -2.535 1.00 0.67 C ATOM 0 H ILE A 96 -0.673 -4.596 -4.289 1.00 0.56 H new ATOM 0 HA ILE A 96 -3.481 -4.494 -4.408 1.00 0.64 H new ATOM 0 HB ILE A 96 -1.318 -2.557 -5.105 1.00 0.73 H new ATOM 0 HG12 ILE A 96 -2.626 -1.494 -2.941 1.00 0.94 H new ATOM 0 HG13 ILE A 96 -2.989 -3.186 -2.665 1.00 0.94 H new ATOM 0 HG21 ILE A 96 -3.108 -0.784 -4.974 1.00 0.80 H new ATOM 0 HG22 ILE A 96 -3.400 -1.918 -6.314 1.00 0.80 H new ATOM 0 HG23 ILE A 96 -4.331 -2.065 -4.805 1.00 0.80 H new ATOM 0 HD11 ILE A 96 -0.948 -2.521 -1.462 1.00 0.67 H new ATOM 0 HD12 ILE A 96 -0.568 -3.728 -2.712 1.00 0.67 H new ATOM 0 HD13 ILE A 96 -0.199 -2.010 -2.993 1.00 0.67 H new ATOM 1514 N ASN A 97 -1.908 -4.517 -7.332 1.00 0.56 N ATOM 1515 CA ASN A 97 -2.133 -4.705 -8.762 1.00 0.59 C ATOM 1516 C ASN A 97 -2.973 -5.958 -9.041 1.00 0.63 C ATOM 1517 O ASN A 97 -3.818 -5.946 -9.933 1.00 0.74 O ATOM 1518 CB ASN A 97 -0.789 -4.779 -9.512 1.00 0.60 C ATOM 1519 CG ASN A 97 -0.581 -3.641 -10.505 1.00 0.90 C ATOM 1520 OD1 ASN A 97 -1.220 -2.597 -10.450 1.00 1.68 O ATOM 1521 ND2 ASN A 97 0.354 -3.809 -11.429 1.00 1.63 N ATOM 0 H ASN A 97 -0.926 -4.462 -7.060 1.00 0.56 H new ATOM 0 HA ASN A 97 -2.693 -3.844 -9.126 1.00 0.59 H new ATOM 0 HB2 ASN A 97 0.024 -4.770 -8.786 1.00 0.60 H new ATOM 0 HB3 ASN A 97 -0.731 -5.729 -10.043 1.00 0.60 H new ATOM 0 HD21 ASN A 97 0.546 -3.066 -12.101 1.00 1.63 H new ATOM 0 HD22 ASN A 97 0.882 -4.681 -11.468 1.00 1.63 H new ATOM 1528 N ASP A 98 -2.713 -7.040 -8.303 1.00 0.56 N ATOM 1529 CA ASP A 98 -3.377 -8.334 -8.435 1.00 0.62 C ATOM 1530 C ASP A 98 -4.853 -8.166 -8.092 1.00 0.73 C ATOM 1531 O ASP A 98 -5.734 -8.586 -8.842 1.00 0.84 O ATOM 1532 CB ASP A 98 -2.717 -9.375 -7.507 1.00 0.61 C ATOM 1533 CG ASP A 98 -2.051 -10.517 -8.277 1.00 1.17 C ATOM 1534 OD1 ASP A 98 -1.270 -10.217 -9.209 1.00 2.65 O ATOM 1535 OD2 ASP A 98 -2.307 -11.683 -7.903 1.00 1.62 O ATOM 0 H ASP A 98 -2.005 -7.036 -7.568 1.00 0.56 H new ATOM 0 HA ASP A 98 -3.281 -8.693 -9.460 1.00 0.62 H new ATOM 0 HB2 ASP A 98 -1.972 -8.880 -6.884 1.00 0.61 H new ATOM 0 HB3 ASP A 98 -3.471 -9.786 -6.836 1.00 0.61 H new ATOM 1540 N GLN A 99 -5.132 -7.532 -6.950 1.00 0.76 N ATOM 1541 CA GLN A 99 -6.490 -7.180 -6.572 1.00 0.85 C ATOM 1542 C GLN A 99 -6.948 -5.973 -7.385 1.00 0.86 C ATOM 1543 O GLN A 99 -6.986 -4.849 -6.887 1.00 1.30 O ATOM 1544 CB GLN A 99 -6.564 -6.886 -5.070 1.00 0.96 C ATOM 1545 CG GLN A 99 -6.624 -8.180 -4.252 1.00 1.30 C ATOM 1546 CD GLN A 99 -7.930 -8.936 -4.487 1.00 1.81 C ATOM 1547 OE1 GLN A 99 -7.934 -10.083 -4.913 1.00 2.84 O ATOM 1548 NE2 GLN A 99 -9.071 -8.302 -4.241 1.00 2.57 N ATOM 0 H GLN A 99 -4.424 -7.253 -6.271 1.00 0.76 H new ATOM 0 HA GLN A 99 -7.153 -8.018 -6.784 1.00 0.85 H new ATOM 0 HB2 GLN A 99 -5.694 -6.302 -4.768 1.00 0.96 H new ATOM 0 HB3 GLN A 99 -7.444 -6.279 -4.859 1.00 0.96 H new ATOM 0 HG2 GLN A 99 -5.781 -8.818 -4.518 1.00 1.30 H new ATOM 0 HG3 GLN A 99 -6.525 -7.946 -3.192 1.00 1.30 H new ATOM 0 HE21 GLN A 99 -9.057 -7.346 -3.886 1.00 2.57 H new ATOM 0 HE22 GLN A 99 -9.961 -8.771 -4.407 1.00 2.57 H new ATOM 1557 N ILE A 100 -7.356 -6.226 -8.629 1.00 1.53 N ATOM 1558 CA ILE A 100 -7.885 -5.202 -9.514 1.00 1.62 C ATOM 1559 C ILE A 100 -8.942 -4.384 -8.774 1.00 1.55 C ATOM 1560 O ILE A 100 -9.999 -4.896 -8.420 1.00 2.87 O ATOM 1561 CB ILE A 100 -8.432 -5.810 -10.820 1.00 3.04 C ATOM 1562 CG1 ILE A 100 -9.340 -7.039 -10.605 1.00 4.62 C ATOM 1563 CG2 ILE A 100 -7.248 -6.186 -11.723 1.00 3.77 C ATOM 1564 CD1 ILE A 100 -10.270 -7.278 -11.800 1.00 5.97 C ATOM 0 H ILE A 100 -7.326 -7.155 -9.048 1.00 1.53 H new ATOM 0 HA ILE A 100 -7.075 -4.533 -9.806 1.00 1.62 H new ATOM 0 HB ILE A 100 -9.061 -5.053 -11.287 1.00 3.04 H new ATOM 0 HG12 ILE A 100 -8.723 -7.923 -10.443 1.00 4.62 H new ATOM 0 HG13 ILE A 100 -9.936 -6.897 -9.704 1.00 4.62 H new ATOM 0 HG21 ILE A 100 -7.621 -6.618 -12.652 1.00 3.77 H new ATOM 0 HG22 ILE A 100 -6.664 -5.294 -11.947 1.00 3.77 H new ATOM 0 HG23 ILE A 100 -6.618 -6.914 -11.212 1.00 3.77 H new ATOM 0 HD11 ILE A 100 -10.892 -8.152 -11.608 1.00 5.97 H new ATOM 0 HD12 ILE A 100 -10.906 -6.405 -11.946 1.00 5.97 H new ATOM 0 HD13 ILE A 100 -9.674 -7.447 -12.697 1.00 5.97 H new ATOM 1576 N LYS A 101 -8.641 -3.103 -8.537 1.00 1.84 N ATOM 1577 CA LYS A 101 -9.459 -2.202 -7.732 1.00 3.15 C ATOM 1578 C LYS A 101 -10.946 -2.352 -8.040 1.00 2.85 C ATOM 1579 O LYS A 101 -11.738 -2.431 -7.110 1.00 4.02 O ATOM 1580 CB LYS A 101 -8.956 -0.756 -7.871 1.00 4.90 C ATOM 1581 CG LYS A 101 -8.984 -0.247 -9.321 1.00 6.07 C ATOM 1582 CD LYS A 101 -8.211 1.065 -9.469 1.00 7.83 C ATOM 1583 CE LYS A 101 -8.188 1.441 -10.954 1.00 8.65 C ATOM 1584 NZ LYS A 101 -7.437 2.689 -11.201 1.00 10.43 N ATOM 0 H LYS A 101 -7.802 -2.658 -8.910 1.00 1.84 H new ATOM 0 HA LYS A 101 -9.351 -2.481 -6.684 1.00 3.15 H new ATOM 0 HB2 LYS A 101 -9.569 -0.103 -7.251 1.00 4.90 H new ATOM 0 HB3 LYS A 101 -7.937 -0.693 -7.489 1.00 4.90 H new ATOM 0 HG2 LYS A 101 -8.554 -1.001 -9.981 1.00 6.07 H new ATOM 0 HG3 LYS A 101 -10.017 -0.100 -9.636 1.00 6.07 H new ATOM 0 HD2 LYS A 101 -8.685 1.854 -8.884 1.00 7.83 H new ATOM 0 HD3 LYS A 101 -7.195 0.953 -9.089 1.00 7.83 H new ATOM 0 HE2 LYS A 101 -7.739 0.629 -11.526 1.00 8.65 H new ATOM 0 HE3 LYS A 101 -9.210 1.557 -11.314 1.00 8.65 H new ATOM 0 HZ1 LYS A 101 -7.447 2.905 -12.218 1.00 10.43 H new ATOM 0 HZ2 LYS A 101 -7.880 3.470 -10.677 1.00 10.43 H new ATOM 0 HZ3 LYS A 101 -6.454 2.572 -10.882 1.00 10.43 H new ATOM 1598 N PHE A 102 -11.289 -2.382 -9.335 1.00 2.68 N ATOM 1599 CA PHE A 102 -12.613 -2.647 -9.893 1.00 3.18 C ATOM 1600 C PHE A 102 -13.739 -2.114 -9.001 1.00 2.88 C ATOM 1601 O PHE A 102 -14.713 -2.799 -8.703 1.00 2.86 O ATOM 1602 CB PHE A 102 -12.737 -4.145 -10.200 1.00 4.10 C ATOM 1603 CG PHE A 102 -13.872 -4.493 -11.145 1.00 4.76 C ATOM 1604 CD1 PHE A 102 -13.796 -4.124 -12.502 1.00 5.36 C ATOM 1605 CD2 PHE A 102 -15.002 -5.188 -10.676 1.00 5.53 C ATOM 1606 CE1 PHE A 102 -14.843 -4.447 -13.383 1.00 6.34 C ATOM 1607 CE2 PHE A 102 -16.048 -5.515 -11.558 1.00 6.56 C ATOM 1608 CZ PHE A 102 -15.968 -5.145 -12.911 1.00 6.83 C ATOM 0 H PHE A 102 -10.599 -2.210 -10.066 1.00 2.68 H new ATOM 0 HA PHE A 102 -12.724 -2.099 -10.829 1.00 3.18 H new ATOM 0 HB2 PHE A 102 -11.799 -4.495 -10.631 1.00 4.10 H new ATOM 0 HB3 PHE A 102 -12.879 -4.686 -9.264 1.00 4.10 H new ATOM 0 HD1 PHE A 102 -12.931 -3.591 -12.867 1.00 5.36 H new ATOM 0 HD2 PHE A 102 -15.066 -5.471 -9.636 1.00 5.53 H new ATOM 0 HE1 PHE A 102 -14.783 -4.159 -14.422 1.00 6.34 H new ATOM 0 HE2 PHE A 102 -16.913 -6.051 -11.195 1.00 6.56 H new ATOM 0 HZ PHE A 102 -16.771 -5.397 -13.588 1.00 6.83 H new ATOM 1618 N ILE A 103 -13.603 -0.851 -8.605 1.00 3.07 N ATOM 1619 CA ILE A 103 -14.546 -0.139 -7.773 1.00 3.08 C ATOM 1620 C ILE A 103 -14.695 1.206 -8.473 1.00 3.44 C ATOM 1621 O ILE A 103 -13.696 1.805 -8.874 1.00 4.15 O ATOM 1622 CB ILE A 103 -14.033 -0.110 -6.321 1.00 3.08 C ATOM 1623 CG1 ILE A 103 -15.140 0.048 -5.265 1.00 3.18 C ATOM 1624 CG2 ILE A 103 -12.925 0.922 -6.133 1.00 3.33 C ATOM 1625 CD1 ILE A 103 -16.045 1.273 -5.419 1.00 4.55 C ATOM 0 H ILE A 103 -12.799 -0.281 -8.869 1.00 3.07 H new ATOM 0 HA ILE A 103 -15.532 -0.593 -7.670 1.00 3.08 H new ATOM 0 HB ILE A 103 -13.608 -1.099 -6.148 1.00 3.08 H new ATOM 0 HG12 ILE A 103 -15.764 -0.845 -5.286 1.00 3.18 H new ATOM 0 HG13 ILE A 103 -14.673 0.088 -4.281 1.00 3.18 H new ATOM 0 HG21 ILE A 103 -12.590 0.912 -5.096 1.00 3.33 H new ATOM 0 HG22 ILE A 103 -12.087 0.680 -6.787 1.00 3.33 H new ATOM 0 HG23 ILE A 103 -13.305 1.913 -6.382 1.00 3.33 H new ATOM 0 HD11 ILE A 103 -16.787 1.280 -4.620 1.00 4.55 H new ATOM 0 HD12 ILE A 103 -15.443 2.180 -5.363 1.00 4.55 H new ATOM 0 HD13 ILE A 103 -16.551 1.232 -6.384 1.00 4.55 H new ATOM 1637 N ILE A 104 -15.929 1.634 -8.711 1.00 3.48 N ATOM 1638 CA ILE A 104 -16.214 2.886 -9.380 1.00 3.89 C ATOM 1639 C ILE A 104 -17.417 3.480 -8.658 1.00 3.65 C ATOM 1640 O ILE A 104 -18.266 2.738 -8.163 1.00 4.11 O ATOM 1641 CB ILE A 104 -16.428 2.630 -10.885 1.00 5.25 C ATOM 1642 CG1 ILE A 104 -16.278 3.942 -11.671 1.00 6.74 C ATOM 1643 CG2 ILE A 104 -17.774 1.949 -11.176 1.00 5.64 C ATOM 1644 CD1 ILE A 104 -16.184 3.699 -13.182 1.00 8.34 C ATOM 0 H ILE A 104 -16.763 1.113 -8.441 1.00 3.48 H new ATOM 0 HA ILE A 104 -15.395 3.604 -9.335 1.00 3.89 H new ATOM 0 HB ILE A 104 -15.657 1.935 -11.217 1.00 5.25 H new ATOM 0 HG12 ILE A 104 -17.129 4.590 -11.460 1.00 6.74 H new ATOM 0 HG13 ILE A 104 -15.385 4.468 -11.332 1.00 6.74 H new ATOM 0 HG21 ILE A 104 -17.877 1.790 -12.249 1.00 5.64 H new ATOM 0 HG22 ILE A 104 -17.815 0.989 -10.662 1.00 5.64 H new ATOM 0 HG23 ILE A 104 -18.587 2.584 -10.823 1.00 5.64 H new ATOM 0 HD11 ILE A 104 -16.079 4.653 -13.698 1.00 8.34 H new ATOM 0 HD12 ILE A 104 -15.318 3.073 -13.397 1.00 8.34 H new ATOM 0 HD13 ILE A 104 -17.088 3.198 -13.527 1.00 8.34 H new ATOM 1656 N ASN A 105 -17.463 4.801 -8.540 1.00 4.03 N ATOM 1657 CA ASN A 105 -18.446 5.494 -7.726 1.00 4.76 C ATOM 1658 C ASN A 105 -18.759 6.831 -8.380 1.00 5.60 C ATOM 1659 O ASN A 105 -18.096 7.219 -9.342 1.00 6.03 O ATOM 1660 CB ASN A 105 -17.906 5.688 -6.298 1.00 5.39 C ATOM 1661 CG ASN A 105 -16.610 6.496 -6.261 1.00 6.63 C ATOM 1662 OD1 ASN A 105 -15.558 6.001 -6.648 1.00 7.11 O ATOM 1663 ND2 ASN A 105 -16.648 7.730 -5.782 1.00 7.74 N ATOM 0 H ASN A 105 -16.810 5.426 -9.013 1.00 4.03 H new ATOM 0 HA ASN A 105 -19.361 4.906 -7.656 1.00 4.76 H new ATOM 0 HB2 ASN A 105 -18.661 6.192 -5.694 1.00 5.39 H new ATOM 0 HB3 ASN A 105 -17.734 4.712 -5.844 1.00 5.39 H new ATOM 0 HD21 ASN A 105 -15.793 8.284 -5.731 1.00 7.74 H new ATOM 0 HD22 ASN A 105 -17.532 8.127 -5.464 1.00 7.74 H new ATOM 1670 N SER A 106 -19.771 7.518 -7.853 1.00 6.50 N ATOM 1671 CA SER A 106 -20.004 8.922 -8.135 1.00 7.54 C ATOM 1672 C SER A 106 -19.075 9.686 -7.203 1.00 8.11 C ATOM 1673 O SER A 106 -18.415 10.639 -7.664 1.00 8.78 O ATOM 1674 CB SER A 106 -21.469 9.256 -7.837 1.00 8.59 C ATOM 1675 OG SER A 106 -21.960 10.218 -8.749 1.00 9.61 O ATOM 1676 OXT SER A 106 -19.024 9.254 -6.026 1.00 8.39 O ATOM 0 H SER A 106 -20.453 7.108 -7.215 1.00 6.50 H new ATOM 0 HA SER A 106 -19.811 9.179 -9.176 1.00 7.54 H new ATOM 0 HB2 SER A 106 -22.073 8.350 -7.897 1.00 8.59 H new ATOM 0 HB3 SER A 106 -21.561 9.634 -6.819 1.00 8.59 H new ATOM 0 HG SER A 106 -22.897 10.416 -8.543 1.00 9.61 H new TER 1682 SER A 106