USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1109 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 129 GLN :FLIP amide:sc= -0.677 F(o=-4.8!,f=-3.7) USER MOD Set 1.2: A 133 GLN : amide:sc= -3.02 K(o=-3.7,f=-4.9!) USER MOD Set 2.1: A 105 HIS : no HE2:sc= -0.325 K(o=-1.5,f=-6.9!) USER MOD Set 2.2: A 116 LYS NZ :NH3+ -171:sc= -1.16 (180deg=-1.51) USER MOD Set 3.1: A 13 MET CE :methyl 166:sc= -1.07 (180deg=-1.7) USER MOD Set 3.2: A 32 THR OG1 : rot 128:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.285 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 15:sc= -0.865 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -102:sc= 0.164 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.132 K(o=-0.13,f=-9!) USER MOD Single : A 20 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.6) USER MOD Single : A 24 SER OG : rot -160:sc= -0.439 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 26 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 140:sc= -1.99 USER MOD Single : A 33 THR OG1 : rot 70:sc= -1.1 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -6.23! C(o=-8.4!,f=-6.2!) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.0865 (180deg=-0.638) USER MOD Single : A 41 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.4!) USER MOD Single : A 47 SER OG : rot -118:sc= 1.04 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 146:sc= 0.517 USER MOD Single : A 57 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.46) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.8) USER MOD Single : A 63 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.1!) USER MOD Single : A 66 SER OG : rot -130:sc= 1.09 USER MOD Single : A 68 MET CE :methyl -178:sc= -0.111 (180deg=-0.126) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -150:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-4.7!) USER MOD Single : A 109 ASN : amide:sc= -3.78 K(o=-3.8,f=-18!) USER MOD Single : A 112 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.79) USER MOD Single : A 114 ASN : amide:sc= -1.74! C(o=-1.7!,f=-1.4!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.9!) USER MOD Single : A 120 SER OG : rot -69:sc= -2.65 USER MOD Single : A 124 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.073) USER MOD Single : A 136 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.611 -12.468 12.304 1.00 0.00 N ATOM 2 CA GLY A 1 -29.746 -11.304 12.356 1.00 0.00 C ATOM 3 C GLY A 1 -28.506 -11.464 11.499 1.00 0.00 C ATOM 4 O GLY A 1 -27.457 -11.887 11.985 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.444 -12.309 12.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.918 -12.629 11.323 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.092 -13.302 12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.302 -10.427 12.025 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.449 -11.122 13.389 1.00 0.00 H new ATOM 8 N SER A 2 -28.626 -11.128 10.219 1.00 0.00 N ATOM 9 CA SER A 2 -27.507 -11.241 9.290 1.00 0.00 C ATOM 10 C SER A 2 -26.463 -10.163 9.563 1.00 0.00 C ATOM 11 O SER A 2 -26.706 -8.977 9.338 1.00 0.00 O ATOM 12 CB SER A 2 -28.002 -11.135 7.847 1.00 0.00 C ATOM 13 OG SER A 2 -29.004 -12.101 7.578 1.00 0.00 O ATOM 0 H SER A 2 -29.487 -10.775 9.801 1.00 0.00 H new ATOM 0 HA SER A 2 -27.043 -12.216 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.399 -10.136 7.668 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.166 -11.273 7.162 1.00 0.00 H new ATOM 0 HG SER A 2 -29.305 -12.011 6.650 1.00 0.00 H new ATOM 19 N SER A 3 -25.300 -10.584 10.049 1.00 0.00 N ATOM 20 CA SER A 3 -24.219 -9.654 10.357 1.00 0.00 C ATOM 21 C SER A 3 -22.860 -10.327 10.188 1.00 0.00 C ATOM 22 O SER A 3 -22.697 -11.508 10.490 1.00 0.00 O ATOM 23 CB SER A 3 -24.364 -9.125 11.784 1.00 0.00 C ATOM 24 OG SER A 3 -25.362 -8.121 11.857 1.00 0.00 O ATOM 0 H SER A 3 -25.082 -11.562 10.238 1.00 0.00 H new ATOM 0 HA SER A 3 -24.281 -8.819 9.660 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.619 -9.945 12.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.411 -8.720 12.124 1.00 0.00 H new ATOM 0 HG SER A 3 -25.874 -8.107 11.021 1.00 0.00 H new ATOM 30 N GLY A 4 -21.885 -9.564 9.702 1.00 0.00 N ATOM 31 CA GLY A 4 -20.553 -10.102 9.500 1.00 0.00 C ATOM 32 C GLY A 4 -20.075 -9.947 8.070 1.00 0.00 C ATOM 33 O GLY A 4 -20.234 -10.855 7.254 1.00 0.00 O ATOM 0 H GLY A 4 -21.994 -8.583 9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.856 -9.598 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.547 -11.158 9.769 1.00 0.00 H new ATOM 37 N SER A 5 -19.490 -8.793 7.764 1.00 0.00 N ATOM 38 CA SER A 5 -18.993 -8.520 6.421 1.00 0.00 C ATOM 39 C SER A 5 -17.479 -8.694 6.356 1.00 0.00 C ATOM 40 O SER A 5 -16.774 -8.458 7.338 1.00 0.00 O ATOM 41 CB SER A 5 -19.374 -7.102 5.992 1.00 0.00 C ATOM 42 OG SER A 5 -20.746 -7.025 5.646 1.00 0.00 O ATOM 0 H SER A 5 -19.349 -8.032 8.428 1.00 0.00 H new ATOM 0 HA SER A 5 -19.453 -9.234 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.160 -6.404 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.764 -6.800 5.141 1.00 0.00 H new ATOM 0 HG SER A 5 -20.965 -6.108 5.377 1.00 0.00 H new ATOM 48 N SER A 6 -16.986 -9.107 5.193 1.00 0.00 N ATOM 49 CA SER A 6 -15.556 -9.317 5.000 1.00 0.00 C ATOM 50 C SER A 6 -15.102 -8.759 3.655 1.00 0.00 C ATOM 51 O SER A 6 -15.446 -9.293 2.601 1.00 0.00 O ATOM 52 CB SER A 6 -15.221 -10.807 5.087 1.00 0.00 C ATOM 53 OG SER A 6 -15.219 -11.252 6.432 1.00 0.00 O ATOM 0 H SER A 6 -17.556 -9.303 4.370 1.00 0.00 H new ATOM 0 HA SER A 6 -15.026 -8.787 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.948 -11.380 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.244 -10.990 4.639 1.00 0.00 H new ATOM 0 HG SER A 6 -15.004 -12.208 6.460 1.00 0.00 H new ATOM 59 N GLY A 7 -14.326 -7.680 3.699 1.00 0.00 N ATOM 60 CA GLY A 7 -13.837 -7.067 2.478 1.00 0.00 C ATOM 61 C GLY A 7 -12.338 -6.844 2.501 1.00 0.00 C ATOM 62 O GLY A 7 -11.666 -7.191 3.473 1.00 0.00 O ATOM 0 H GLY A 7 -14.027 -7.220 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.094 -7.700 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.341 -6.112 2.327 1.00 0.00 H new ATOM 66 N VAL A 8 -11.811 -6.265 1.427 1.00 0.00 N ATOM 67 CA VAL A 8 -10.381 -5.997 1.327 1.00 0.00 C ATOM 68 C VAL A 8 -9.999 -4.752 2.119 1.00 0.00 C ATOM 69 O VAL A 8 -10.760 -3.787 2.184 1.00 0.00 O ATOM 70 CB VAL A 8 -9.946 -5.813 -0.139 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.932 -4.925 -0.882 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.539 -5.237 -0.208 1.00 0.00 C ATOM 0 H VAL A 8 -12.353 -5.972 0.614 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.866 -6.862 1.745 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.939 -6.790 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.608 -4.807 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.921 -5.383 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.975 -3.948 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.247 -5.113 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.517 -4.269 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.843 -5.916 0.285 1.00 0.00 H new ATOM 82 N ARG A 9 -8.814 -4.781 2.721 1.00 0.00 N ATOM 83 CA ARG A 9 -8.330 -3.654 3.510 1.00 0.00 C ATOM 84 C ARG A 9 -7.305 -2.841 2.725 1.00 0.00 C ATOM 85 O ARG A 9 -6.716 -3.330 1.761 1.00 0.00 O ATOM 86 CB ARG A 9 -7.711 -4.150 4.818 1.00 0.00 C ATOM 87 CG ARG A 9 -7.823 -3.153 5.960 1.00 0.00 C ATOM 88 CD ARG A 9 -7.924 -3.857 7.305 1.00 0.00 C ATOM 89 NE ARG A 9 -7.737 -2.934 8.421 1.00 0.00 N ATOM 90 CZ ARG A 9 -8.066 -3.221 9.675 1.00 0.00 C ATOM 91 NH1 ARG A 9 -8.596 -4.400 9.972 1.00 0.00 N ATOM 92 NH2 ARG A 9 -7.866 -2.328 10.636 1.00 0.00 N ATOM 0 H ARG A 9 -8.172 -5.572 2.677 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.179 -3.010 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.197 -5.081 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.659 -4.379 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.954 -2.495 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.700 -2.524 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.899 -4.337 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.174 -4.647 7.358 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.331 -2.019 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.752 -5.089 9.236 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.848 -4.618 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.459 -1.420 10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.119 -2.550 11.599 1.00 0.00 H new ATOM 106 N TYR A 10 -7.098 -1.598 3.144 1.00 0.00 N ATOM 107 CA TYR A 10 -6.147 -0.715 2.479 1.00 0.00 C ATOM 108 C TYR A 10 -5.084 -0.224 3.457 1.00 0.00 C ATOM 109 O TYR A 10 -5.373 0.042 4.624 1.00 0.00 O ATOM 110 CB TYR A 10 -6.875 0.478 1.857 1.00 0.00 C ATOM 111 CG TYR A 10 -7.827 0.095 0.746 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.064 -0.470 1.029 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.489 0.300 -0.586 1.00 0.00 C ATOM 114 CE1 TYR A 10 -9.936 -0.822 0.017 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.355 -0.047 -1.604 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.577 -0.609 -1.298 1.00 0.00 C ATOM 117 OH TYR A 10 -10.443 -0.956 -2.309 1.00 0.00 O ATOM 0 H TYR A 10 -7.576 -1.179 3.941 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.654 -1.282 1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.430 1.000 2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.138 1.179 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.349 -0.637 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.532 0.738 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.894 -1.262 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.077 0.121 -2.634 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.336 -1.109 -1.936 1.00 0.00 H new ATOM 127 N PHE A 11 -3.853 -0.105 2.971 1.00 0.00 N ATOM 128 CA PHE A 11 -2.745 0.355 3.801 1.00 0.00 C ATOM 129 C PHE A 11 -1.710 1.100 2.963 1.00 0.00 C ATOM 130 O PHE A 11 -1.244 0.595 1.941 1.00 0.00 O ATOM 131 CB PHE A 11 -2.086 -0.830 4.510 1.00 0.00 C ATOM 132 CG PHE A 11 -3.031 -1.610 5.379 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.474 -1.089 6.584 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.475 -2.864 4.991 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.344 -1.803 7.386 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.345 -3.582 5.789 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.779 -3.052 6.989 1.00 0.00 C ATOM 0 H PHE A 11 -3.597 -0.320 2.007 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.144 1.041 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.657 -1.498 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.261 -0.464 5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.135 -0.113 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.138 -3.284 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.683 -1.385 8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.686 -4.557 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.457 -3.613 7.615 1.00 0.00 H new ATOM 147 N ILE A 12 -1.357 2.303 3.402 1.00 0.00 N ATOM 148 CA ILE A 12 -0.378 3.118 2.693 1.00 0.00 C ATOM 149 C ILE A 12 1.045 2.719 3.071 1.00 0.00 C ATOM 150 O ILE A 12 1.363 2.558 4.249 1.00 0.00 O ATOM 151 CB ILE A 12 -0.575 4.617 2.987 1.00 0.00 C ATOM 152 CG1 ILE A 12 -1.914 5.098 2.425 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.573 5.426 2.402 1.00 0.00 C ATOM 154 CD1 ILE A 12 -1.943 5.175 0.915 1.00 0.00 C ATOM 0 H ILE A 12 -1.734 2.735 4.245 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.532 2.942 1.628 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.583 4.763 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.703 4.425 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.138 6.083 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.420 6.483 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.513 5.097 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.610 5.278 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.923 5.523 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.177 5.870 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.750 4.187 0.497 1.00 0.00 H new ATOM 166 N MET A 13 1.897 2.564 2.063 1.00 0.00 N ATOM 167 CA MET A 13 3.287 2.187 2.289 1.00 0.00 C ATOM 168 C MET A 13 4.235 3.214 1.678 1.00 0.00 C ATOM 169 O MET A 13 4.328 3.339 0.456 1.00 0.00 O ATOM 170 CB MET A 13 3.566 0.804 1.700 1.00 0.00 C ATOM 171 CG MET A 13 3.352 -0.332 2.687 1.00 0.00 C ATOM 172 SD MET A 13 4.231 -0.078 4.240 1.00 0.00 S ATOM 173 CE MET A 13 2.933 -0.424 5.425 1.00 0.00 C ATOM 0 H MET A 13 1.649 2.694 1.082 1.00 0.00 H new ATOM 0 HA MET A 13 3.458 2.156 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.920 0.649 0.835 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.594 0.772 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.286 -0.436 2.890 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.683 -1.267 2.236 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.370 -0.554 6.415 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.228 0.407 5.445 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.411 -1.336 5.136 1.00 0.00 H new ATOM 183 N LYS A 14 4.938 3.948 2.534 1.00 0.00 N ATOM 184 CA LYS A 14 5.879 4.964 2.079 1.00 0.00 C ATOM 185 C LYS A 14 7.296 4.403 2.015 1.00 0.00 C ATOM 186 O LYS A 14 7.694 3.600 2.860 1.00 0.00 O ATOM 187 CB LYS A 14 5.841 6.178 3.009 1.00 0.00 C ATOM 188 CG LYS A 14 4.439 6.570 3.441 1.00 0.00 C ATOM 189 CD LYS A 14 3.672 7.234 2.309 1.00 0.00 C ATOM 190 CE LYS A 14 4.232 8.613 1.991 1.00 0.00 C ATOM 191 NZ LYS A 14 3.284 9.421 1.174 1.00 0.00 N ATOM 0 H LYS A 14 4.873 3.858 3.548 1.00 0.00 H new ATOM 0 HA LYS A 14 5.584 5.274 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.439 5.965 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.307 7.025 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.900 5.684 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.496 7.250 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.719 6.607 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.620 7.321 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.451 9.139 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.175 8.507 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.702 10.353 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.095 8.931 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.393 9.544 1.696 1.00 0.00 H new ATOM 205 N SER A 15 8.054 4.832 1.011 1.00 0.00 N ATOM 206 CA SER A 15 9.426 4.370 0.837 1.00 0.00 C ATOM 207 C SER A 15 10.377 5.549 0.653 1.00 0.00 C ATOM 208 O SER A 15 10.170 6.398 -0.214 1.00 0.00 O ATOM 209 CB SER A 15 9.522 3.431 -0.367 1.00 0.00 C ATOM 210 OG SER A 15 10.690 2.632 -0.300 1.00 0.00 O ATOM 0 H SER A 15 7.741 5.499 0.306 1.00 0.00 H new ATOM 0 HA SER A 15 9.717 3.827 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.641 2.790 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.530 4.015 -1.287 1.00 0.00 H new ATOM 0 HG SER A 15 11.367 2.991 -0.911 1.00 0.00 H new ATOM 216 N SER A 16 11.419 5.594 1.477 1.00 0.00 N ATOM 217 CA SER A 16 12.400 6.670 1.409 1.00 0.00 C ATOM 218 C SER A 16 12.935 6.830 -0.011 1.00 0.00 C ATOM 219 O SER A 16 12.791 7.886 -0.625 1.00 0.00 O ATOM 220 CB SER A 16 13.556 6.397 2.374 1.00 0.00 C ATOM 221 OG SER A 16 13.272 6.902 3.667 1.00 0.00 O ATOM 0 H SER A 16 11.605 4.898 2.199 1.00 0.00 H new ATOM 0 HA SER A 16 11.905 7.597 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.740 5.324 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.468 6.857 1.993 1.00 0.00 H new ATOM 0 HG SER A 16 14.025 6.713 4.265 1.00 0.00 H new ATOM 227 N ASN A 17 13.553 5.772 -0.526 1.00 0.00 N ATOM 228 CA ASN A 17 14.111 5.793 -1.873 1.00 0.00 C ATOM 229 C ASN A 17 13.321 4.877 -2.803 1.00 0.00 C ATOM 230 O ASN A 17 12.643 3.953 -2.353 1.00 0.00 O ATOM 231 CB ASN A 17 15.580 5.368 -1.846 1.00 0.00 C ATOM 232 CG ASN A 17 16.345 5.854 -3.062 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.752 6.219 -4.078 1.00 0.00 O ATOM 234 ND2 ASN A 17 17.669 5.862 -2.964 1.00 0.00 N ATOM 0 H ASN A 17 13.680 4.889 -0.031 1.00 0.00 H new ATOM 0 HA ASN A 17 14.042 6.813 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 17 16.052 5.758 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.640 4.281 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 17 18.237 6.179 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 17 18.119 5.551 -2.103 1.00 0.00 H new ATOM 241 N LEU A 18 13.416 5.138 -4.102 1.00 0.00 N ATOM 242 CA LEU A 18 12.711 4.337 -5.097 1.00 0.00 C ATOM 243 C LEU A 18 13.287 2.926 -5.166 1.00 0.00 C ATOM 244 O LEU A 18 12.546 1.943 -5.173 1.00 0.00 O ATOM 245 CB LEU A 18 12.797 5.003 -6.471 1.00 0.00 C ATOM 246 CG LEU A 18 11.784 4.527 -7.512 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.334 3.106 -7.209 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.589 5.468 -7.562 1.00 0.00 C ATOM 0 H LEU A 18 13.974 5.898 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 18 11.665 4.269 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.675 6.078 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.799 4.842 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 18 12.267 4.532 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.613 2.785 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.197 2.440 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.869 3.074 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.878 5.114 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.106 5.495 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.926 6.470 -7.828 1.00 0.00 H new ATOM 260 N ARG A 19 14.611 2.834 -5.215 1.00 0.00 N ATOM 261 CA ARG A 19 15.286 1.544 -5.282 1.00 0.00 C ATOM 262 C ARG A 19 14.595 0.522 -4.384 1.00 0.00 C ATOM 263 O ARG A 19 14.124 -0.513 -4.854 1.00 0.00 O ATOM 264 CB ARG A 19 16.753 1.689 -4.873 1.00 0.00 C ATOM 265 CG ARG A 19 17.462 0.361 -4.665 1.00 0.00 C ATOM 266 CD ARG A 19 17.569 -0.423 -5.963 1.00 0.00 C ATOM 267 NE ARG A 19 18.749 -1.283 -5.988 1.00 0.00 N ATOM 268 CZ ARG A 19 19.964 -0.854 -6.314 1.00 0.00 C ATOM 269 NH1 ARG A 19 20.156 0.416 -6.642 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.988 -1.697 -6.313 1.00 0.00 N ATOM 0 H ARG A 19 15.238 3.638 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 19 15.237 1.190 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.281 2.257 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.809 2.269 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.459 0.539 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.921 -0.230 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.674 -1.032 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.608 0.270 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 19 18.635 -2.266 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.370 1.066 -6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.089 0.743 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.843 -2.675 -6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.920 -1.367 -6.563 1.00 0.00 H new ATOM 284 N ASN A 20 14.541 0.820 -3.090 1.00 0.00 N ATOM 285 CA ASN A 20 13.909 -0.074 -2.126 1.00 0.00 C ATOM 286 C ASN A 20 12.641 -0.692 -2.707 1.00 0.00 C ATOM 287 O ASN A 20 12.360 -1.873 -2.497 1.00 0.00 O ATOM 288 CB ASN A 20 13.577 0.684 -0.839 1.00 0.00 C ATOM 289 CG ASN A 20 14.726 1.554 -0.367 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.882 1.316 -0.715 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.411 2.569 0.429 1.00 0.00 N ATOM 0 H ASN A 20 14.927 1.673 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 20 14.611 -0.876 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.698 1.307 -1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.320 -0.030 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.142 3.189 0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.438 2.728 0.692 1.00 0.00 H new ATOM 298 N LEU A 21 11.879 0.113 -3.439 1.00 0.00 N ATOM 299 CA LEU A 21 10.640 -0.354 -4.052 1.00 0.00 C ATOM 300 C LEU A 21 10.927 -1.371 -5.153 1.00 0.00 C ATOM 301 O LEU A 21 10.205 -2.356 -5.304 1.00 0.00 O ATOM 302 CB LEU A 21 9.854 0.826 -4.625 1.00 0.00 C ATOM 303 CG LEU A 21 8.396 0.547 -4.992 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.540 0.450 -3.739 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.864 1.628 -5.921 1.00 0.00 C ATOM 0 H LEU A 21 12.097 1.092 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 21 10.043 -0.839 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.876 1.638 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.370 1.182 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 21 8.349 -0.408 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.506 0.251 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.907 -0.360 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.593 1.390 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.825 1.413 -6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.925 2.597 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.460 1.650 -6.833 1.00 0.00 H new ATOM 317 N GLU A 22 11.987 -1.125 -5.917 1.00 0.00 N ATOM 318 CA GLU A 22 12.370 -2.020 -7.002 1.00 0.00 C ATOM 319 C GLU A 22 12.399 -3.470 -6.527 1.00 0.00 C ATOM 320 O GLU A 22 11.943 -4.373 -7.229 1.00 0.00 O ATOM 321 CB GLU A 22 13.740 -1.627 -7.559 1.00 0.00 C ATOM 322 CG GLU A 22 13.761 -0.255 -8.211 1.00 0.00 C ATOM 323 CD GLU A 22 14.994 -0.033 -9.065 1.00 0.00 C ATOM 324 OE1 GLU A 22 16.073 0.226 -8.491 1.00 0.00 O ATOM 325 OE2 GLU A 22 14.882 -0.119 -10.305 1.00 0.00 O ATOM 0 H GLU A 22 12.595 -0.314 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 22 11.625 -1.929 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.471 -1.647 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.053 -2.372 -8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.870 -0.137 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.717 0.511 -7.437 1.00 0.00 H new ATOM 332 N ILE A 23 12.938 -3.684 -5.332 1.00 0.00 N ATOM 333 CA ILE A 23 13.026 -5.023 -4.763 1.00 0.00 C ATOM 334 C ILE A 23 11.673 -5.726 -4.799 1.00 0.00 C ATOM 335 O ILE A 23 11.596 -6.937 -5.008 1.00 0.00 O ATOM 336 CB ILE A 23 13.533 -4.985 -3.309 1.00 0.00 C ATOM 337 CG1 ILE A 23 15.001 -4.556 -3.269 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.354 -6.344 -2.650 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.208 -3.084 -3.548 1.00 0.00 C ATOM 0 H ILE A 23 13.320 -2.947 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 23 13.738 -5.579 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 23 12.945 -4.254 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.414 -4.793 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.561 -5.138 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.717 -6.301 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.298 -6.612 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.919 -7.094 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.272 -2.851 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.826 -2.844 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.676 -2.494 -2.802 1.00 0.00 H new ATOM 351 N SER A 24 10.607 -4.958 -4.596 1.00 0.00 N ATOM 352 CA SER A 24 9.257 -5.507 -4.603 1.00 0.00 C ATOM 353 C SER A 24 8.762 -5.712 -6.032 1.00 0.00 C ATOM 354 O SER A 24 7.789 -6.429 -6.265 1.00 0.00 O ATOM 355 CB SER A 24 8.302 -4.579 -3.849 1.00 0.00 C ATOM 356 OG SER A 24 6.976 -5.079 -3.877 1.00 0.00 O ATOM 0 H SER A 24 10.653 -3.954 -4.425 1.00 0.00 H new ATOM 0 HA SER A 24 9.282 -6.475 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.632 -4.474 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.328 -3.585 -4.295 1.00 0.00 H new ATOM 0 HG SER A 24 6.348 -4.352 -3.684 1.00 0.00 H new ATOM 362 N GLN A 25 9.439 -5.078 -6.983 1.00 0.00 N ATOM 363 CA GLN A 25 9.068 -5.190 -8.389 1.00 0.00 C ATOM 364 C GLN A 25 9.758 -6.384 -9.040 1.00 0.00 C ATOM 365 O GLN A 25 9.219 -6.996 -9.962 1.00 0.00 O ATOM 366 CB GLN A 25 9.430 -3.906 -9.138 1.00 0.00 C ATOM 367 CG GLN A 25 8.463 -2.761 -8.884 1.00 0.00 C ATOM 368 CD GLN A 25 8.824 -1.510 -9.660 1.00 0.00 C ATOM 369 OE1 GLN A 25 8.537 -1.400 -10.853 1.00 0.00 O ATOM 370 NE2 GLN A 25 9.457 -0.557 -8.986 1.00 0.00 N ATOM 0 H GLN A 25 10.247 -4.481 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 25 7.990 -5.342 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.433 -3.595 -8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.460 -4.115 -10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.455 -3.075 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.449 -2.532 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.675 -0.690 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.725 0.308 -9.456 1.00 0.00 H new ATOM 379 N GLN A 26 10.951 -6.709 -8.554 1.00 0.00 N ATOM 380 CA GLN A 26 11.715 -7.830 -9.091 1.00 0.00 C ATOM 381 C GLN A 26 11.560 -9.065 -8.210 1.00 0.00 C ATOM 382 O GLN A 26 11.120 -10.119 -8.671 1.00 0.00 O ATOM 383 CB GLN A 26 13.193 -7.457 -9.210 1.00 0.00 C ATOM 384 CG GLN A 26 13.427 -6.092 -9.838 1.00 0.00 C ATOM 385 CD GLN A 26 13.546 -6.157 -11.348 1.00 0.00 C ATOM 386 OE1 GLN A 26 13.932 -7.183 -11.908 1.00 0.00 O ATOM 387 NE2 GLN A 26 13.214 -5.058 -12.016 1.00 0.00 N ATOM 0 H GLN A 26 11.410 -6.213 -7.790 1.00 0.00 H new ATOM 0 HA GLN A 26 11.325 -8.061 -10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.644 -7.474 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.704 -8.214 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.605 -5.428 -9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.337 -5.657 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.899 -4.230 -11.511 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.274 -5.042 -13.034 1.00 0.00 H new ATOM 396 N LYS A 27 11.924 -8.930 -6.939 1.00 0.00 N ATOM 397 CA LYS A 27 11.826 -10.034 -5.992 1.00 0.00 C ATOM 398 C LYS A 27 10.368 -10.403 -5.737 1.00 0.00 C ATOM 399 O LYS A 27 10.045 -11.565 -5.494 1.00 0.00 O ATOM 400 CB LYS A 27 12.508 -9.664 -4.673 1.00 0.00 C ATOM 401 CG LYS A 27 13.815 -8.913 -4.855 1.00 0.00 C ATOM 402 CD LYS A 27 14.772 -9.669 -5.761 1.00 0.00 C ATOM 403 CE LYS A 27 16.200 -9.167 -5.608 1.00 0.00 C ATOM 404 NZ LYS A 27 17.197 -10.238 -5.882 1.00 0.00 N ATOM 0 H LYS A 27 12.290 -8.065 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 27 12.331 -10.898 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.827 -9.053 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.698 -10.574 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.614 -7.929 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.282 -8.754 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.732 -10.733 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.456 -9.559 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.367 -8.333 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.345 -8.786 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.157 -9.856 -5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.055 -11.023 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.076 -10.584 -6.855 1.00 0.00 H new ATOM 418 N GLY A 28 9.491 -9.405 -5.794 1.00 0.00 N ATOM 419 CA GLY A 28 8.077 -9.646 -5.568 1.00 0.00 C ATOM 420 C GLY A 28 7.731 -9.723 -4.094 1.00 0.00 C ATOM 421 O GLY A 28 6.874 -10.510 -3.692 1.00 0.00 O ATOM 0 H GLY A 28 9.734 -8.434 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.497 -8.849 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.788 -10.577 -6.055 1.00 0.00 H new ATOM 425 N ILE A 29 8.399 -8.906 -3.288 1.00 0.00 N ATOM 426 CA ILE A 29 8.157 -8.886 -1.850 1.00 0.00 C ATOM 427 C ILE A 29 8.321 -7.479 -1.285 1.00 0.00 C ATOM 428 O ILE A 29 8.827 -6.583 -1.960 1.00 0.00 O ATOM 429 CB ILE A 29 9.110 -9.840 -1.106 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.513 -9.771 -1.713 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.576 -11.264 -1.152 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.294 -8.546 -1.291 1.00 0.00 C ATOM 0 H ILE A 29 9.112 -8.249 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 29 7.130 -9.219 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 29 9.171 -9.529 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.069 -10.663 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.431 -9.783 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.260 -11.927 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.595 -11.300 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.489 -11.587 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.278 -8.563 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.760 -7.649 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.408 -8.542 -0.207 1.00 0.00 H new ATOM 444 N TRP A 30 7.889 -7.293 -0.043 1.00 0.00 N ATOM 445 CA TRP A 30 7.989 -5.995 0.615 1.00 0.00 C ATOM 446 C TRP A 30 8.214 -6.160 2.114 1.00 0.00 C ATOM 447 O TRP A 30 7.498 -6.908 2.779 1.00 0.00 O ATOM 448 CB TRP A 30 6.723 -5.174 0.363 1.00 0.00 C ATOM 449 CG TRP A 30 6.741 -3.834 1.034 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.042 -3.465 2.147 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.495 -2.685 0.632 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.315 -2.156 2.462 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.204 -1.655 1.548 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.388 -2.426 -0.411 1.00 0.00 C ATOM 455 CZ2 TRP A 30 7.775 -0.389 1.450 1.00 0.00 C ATOM 456 CZ3 TRP A 30 8.954 -1.169 -0.507 1.00 0.00 C ATOM 457 CH2 TRP A 30 8.646 -0.163 0.419 1.00 0.00 C ATOM 0 H TRP A 30 7.466 -8.024 0.529 1.00 0.00 H new ATOM 0 HA TRP A 30 8.845 -5.467 0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.598 -5.033 -0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.858 -5.737 0.714 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.372 -4.108 2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.920 -1.641 3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.632 -3.195 -1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.539 0.387 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 9.646 -0.958 -1.309 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.105 0.809 0.317 1.00 0.00 H new ATOM 468 N SER A 31 9.212 -5.456 2.639 1.00 0.00 N ATOM 469 CA SER A 31 9.533 -5.528 4.060 1.00 0.00 C ATOM 470 C SER A 31 9.221 -4.206 4.754 1.00 0.00 C ATOM 471 O SER A 31 9.870 -3.190 4.501 1.00 0.00 O ATOM 472 CB SER A 31 11.008 -5.884 4.254 1.00 0.00 C ATOM 473 OG SER A 31 11.332 -5.983 5.630 1.00 0.00 O ATOM 0 H SER A 31 9.812 -4.830 2.102 1.00 0.00 H new ATOM 0 HA SER A 31 8.917 -6.308 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.226 -6.829 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.633 -5.125 3.784 1.00 0.00 H new ATOM 0 HG SER A 31 11.936 -6.742 5.770 1.00 0.00 H new ATOM 479 N THR A 32 8.224 -4.226 5.633 1.00 0.00 N ATOM 480 CA THR A 32 7.824 -3.030 6.364 1.00 0.00 C ATOM 481 C THR A 32 8.170 -3.149 7.844 1.00 0.00 C ATOM 482 O THR A 32 8.565 -4.216 8.316 1.00 0.00 O ATOM 483 CB THR A 32 6.314 -2.763 6.221 1.00 0.00 C ATOM 484 OG1 THR A 32 6.027 -1.396 6.536 1.00 0.00 O ATOM 485 CG2 THR A 32 5.514 -3.678 7.136 1.00 0.00 C ATOM 0 H THR A 32 7.678 -5.058 5.856 1.00 0.00 H new ATOM 0 HA THR A 32 8.375 -2.195 5.931 1.00 0.00 H new ATOM 0 HB THR A 32 6.027 -2.966 5.189 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.505 -0.995 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.450 -3.471 7.018 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.713 -4.718 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.805 -3.502 8.172 1.00 0.00 H new ATOM 493 N THR A 33 8.020 -2.048 8.573 1.00 0.00 N ATOM 494 CA THR A 33 8.317 -2.029 9.999 1.00 0.00 C ATOM 495 C THR A 33 7.482 -3.061 10.748 1.00 0.00 C ATOM 496 O THR A 33 6.306 -3.276 10.454 1.00 0.00 O ATOM 497 CB THR A 33 8.059 -0.637 10.608 1.00 0.00 C ATOM 498 OG1 THR A 33 8.708 -0.532 11.880 1.00 0.00 O ATOM 499 CG2 THR A 33 6.568 -0.386 10.771 1.00 0.00 C ATOM 0 H THR A 33 7.694 -1.157 8.198 1.00 0.00 H new ATOM 0 HA THR A 33 9.374 -2.274 10.105 1.00 0.00 H new ATOM 0 HB THR A 33 8.465 0.114 9.930 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.679 -0.502 11.750 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.410 0.602 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.082 -0.438 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.142 -1.142 11.431 1.00 0.00 H new ATOM 507 N PRO A 34 8.102 -3.717 11.741 1.00 0.00 N ATOM 508 CA PRO A 34 7.434 -4.737 12.554 1.00 0.00 C ATOM 509 C PRO A 34 6.375 -4.142 13.476 1.00 0.00 C ATOM 510 O PRO A 34 5.715 -4.862 14.225 1.00 0.00 O ATOM 511 CB PRO A 34 8.576 -5.343 13.373 1.00 0.00 C ATOM 512 CG PRO A 34 9.604 -4.266 13.443 1.00 0.00 C ATOM 513 CD PRO A 34 9.502 -3.512 12.147 1.00 0.00 C ATOM 0 HA PRO A 34 6.901 -5.462 11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.239 -5.634 14.368 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.973 -6.239 12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.423 -3.608 14.293 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.601 -4.686 13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.731 -2.455 12.278 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.197 -3.899 11.402 1.00 0.00 H new ATOM 521 N SER A 35 6.217 -2.824 13.416 1.00 0.00 N ATOM 522 CA SER A 35 5.241 -2.131 14.248 1.00 0.00 C ATOM 523 C SER A 35 3.904 -2.002 13.523 1.00 0.00 C ATOM 524 O SER A 35 2.886 -1.672 14.130 1.00 0.00 O ATOM 525 CB SER A 35 5.760 -0.746 14.635 1.00 0.00 C ATOM 526 OG SER A 35 5.134 -0.278 15.817 1.00 0.00 O ATOM 0 H SER A 35 6.753 -2.214 12.799 1.00 0.00 H new ATOM 0 HA SER A 35 5.089 -2.719 15.153 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.839 -0.787 14.783 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.577 -0.045 13.821 1.00 0.00 H new ATOM 0 HG SER A 35 5.484 0.609 16.044 1.00 0.00 H new ATOM 532 N ASN A 36 3.917 -2.265 12.221 1.00 0.00 N ATOM 533 CA ASN A 36 2.706 -2.177 11.412 1.00 0.00 C ATOM 534 C ASN A 36 2.493 -3.459 10.612 1.00 0.00 C ATOM 535 O ASN A 36 1.872 -3.443 9.549 1.00 0.00 O ATOM 536 CB ASN A 36 2.786 -0.979 10.464 1.00 0.00 C ATOM 537 CG ASN A 36 3.528 0.194 11.077 1.00 0.00 C ATOM 538 OD1 ASN A 36 4.305 0.894 10.259 1.00 0.00 O flip ATOM 539 ND2 ASN A 36 3.402 0.467 12.270 1.00 0.00 N flip ATOM 0 H ASN A 36 4.751 -2.541 11.703 1.00 0.00 H new ATOM 0 HA ASN A 36 1.859 -2.043 12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.285 -1.280 9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.778 -0.666 10.192 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.793 -0.099 12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.906 1.260 12.668 1.00 0.00 H new ATOM 546 N GLU A 37 3.011 -4.568 11.132 1.00 0.00 N ATOM 547 CA GLU A 37 2.876 -5.858 10.465 1.00 0.00 C ATOM 548 C GLU A 37 1.605 -6.573 10.915 1.00 0.00 C ATOM 549 O GLU A 37 1.042 -7.382 10.178 1.00 0.00 O ATOM 550 CB GLU A 37 4.097 -6.735 10.753 1.00 0.00 C ATOM 551 CG GLU A 37 5.271 -6.466 9.828 1.00 0.00 C ATOM 552 CD GLU A 37 6.371 -7.501 9.965 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.561 -8.019 11.085 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.042 -7.792 8.953 1.00 0.00 O ATOM 0 H GLU A 37 3.527 -4.599 12.011 1.00 0.00 H new ATOM 0 HA GLU A 37 2.810 -5.679 9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.413 -6.575 11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.810 -7.783 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.919 -6.449 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.678 -5.478 10.042 1.00 0.00 H new ATOM 561 N ARG A 38 1.160 -6.268 12.130 1.00 0.00 N ATOM 562 CA ARG A 38 -0.042 -6.882 12.679 1.00 0.00 C ATOM 563 C ARG A 38 -1.243 -6.632 11.772 1.00 0.00 C ATOM 564 O ARG A 38 -2.071 -7.518 11.560 1.00 0.00 O ATOM 565 CB ARG A 38 -0.325 -6.337 14.080 1.00 0.00 C ATOM 566 CG ARG A 38 -0.398 -4.820 14.139 1.00 0.00 C ATOM 567 CD ARG A 38 -1.064 -4.344 15.421 1.00 0.00 C ATOM 568 NE ARG A 38 -0.118 -4.263 16.531 1.00 0.00 N ATOM 569 CZ ARG A 38 0.210 -5.300 17.293 1.00 0.00 C ATOM 570 NH1 ARG A 38 -0.327 -6.491 17.066 1.00 0.00 N ATOM 571 NH2 ARG A 38 1.078 -5.148 18.285 1.00 0.00 N ATOM 0 H ARG A 38 1.614 -5.599 12.752 1.00 0.00 H new ATOM 0 HA ARG A 38 0.126 -7.957 12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.267 -6.752 14.439 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.455 -6.682 14.759 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.607 -4.403 14.073 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.954 -4.448 13.279 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.513 -3.365 15.255 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.874 -5.025 15.683 1.00 0.00 H new ATOM 0 HE ARG A 38 0.314 -3.361 16.732 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.994 -6.613 16.304 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.073 -7.285 17.653 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.494 -4.234 18.463 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.329 -5.945 18.870 1.00 0.00 H new ATOM 585 N LYS A 39 -1.333 -5.418 11.239 1.00 0.00 N ATOM 586 CA LYS A 39 -2.431 -5.049 10.353 1.00 0.00 C ATOM 587 C LYS A 39 -2.364 -5.834 9.047 1.00 0.00 C ATOM 588 O LYS A 39 -3.291 -6.568 8.703 1.00 0.00 O ATOM 589 CB LYS A 39 -2.396 -3.548 10.062 1.00 0.00 C ATOM 590 CG LYS A 39 -1.004 -2.946 10.137 1.00 0.00 C ATOM 591 CD LYS A 39 -0.842 -1.790 9.164 1.00 0.00 C ATOM 592 CE LYS A 39 -1.211 -0.463 9.808 1.00 0.00 C ATOM 593 NZ LYS A 39 -1.747 0.507 8.814 1.00 0.00 N ATOM 0 H LYS A 39 -0.658 -4.672 11.406 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.367 -5.293 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.807 -3.369 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.044 -3.034 10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.812 -2.598 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.262 -3.714 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.189 -1.751 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.471 -1.958 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.954 -0.632 10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.332 -0.038 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.337 1.446 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.497 0.194 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.782 0.559 8.903 1.00 0.00 H new ATOM 607 N LEU A 40 -1.261 -5.675 8.323 1.00 0.00 N ATOM 608 CA LEU A 40 -1.072 -6.370 7.055 1.00 0.00 C ATOM 609 C LEU A 40 -1.240 -7.876 7.228 1.00 0.00 C ATOM 610 O LEU A 40 -1.939 -8.526 6.452 1.00 0.00 O ATOM 611 CB LEU A 40 0.313 -6.062 6.484 1.00 0.00 C ATOM 612 CG LEU A 40 0.771 -4.606 6.579 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.138 -4.432 5.936 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.249 -3.683 5.928 1.00 0.00 C ATOM 0 H LEU A 40 -0.485 -5.071 8.593 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.832 -6.017 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.043 -6.686 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.325 -6.358 5.435 1.00 0.00 H new ATOM 0 HG LEU A 40 0.853 -4.339 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.447 -3.389 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.864 -5.064 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.085 -4.717 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.093 -2.651 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.363 -3.950 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.208 -3.786 6.435 1.00 0.00 H new ATOM 626 N ASN A 41 -0.595 -8.424 8.253 1.00 0.00 N ATOM 627 CA ASN A 41 -0.675 -9.853 8.530 1.00 0.00 C ATOM 628 C ASN A 41 -2.107 -10.266 8.852 1.00 0.00 C ATOM 629 O ASN A 41 -2.725 -11.031 8.111 1.00 0.00 O ATOM 630 CB ASN A 41 0.248 -10.221 9.694 1.00 0.00 C ATOM 631 CG ASN A 41 0.782 -11.636 9.585 1.00 0.00 C ATOM 632 OD1 ASN A 41 0.447 -12.367 8.653 1.00 0.00 O ATOM 633 ND2 ASN A 41 1.617 -12.029 10.540 1.00 0.00 N ATOM 0 H ASN A 41 -0.011 -7.900 8.905 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.354 -10.389 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.084 -9.522 9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.295 -10.112 10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.008 -12.971 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.867 -11.389 11.294 1.00 0.00 H new ATOM 640 N ARG A 42 -2.629 -9.755 9.963 1.00 0.00 N ATOM 641 CA ARG A 42 -3.989 -10.071 10.383 1.00 0.00 C ATOM 642 C ARG A 42 -4.989 -9.754 9.275 1.00 0.00 C ATOM 643 O ARG A 42 -5.705 -10.635 8.801 1.00 0.00 O ATOM 644 CB ARG A 42 -4.349 -9.289 11.648 1.00 0.00 C ATOM 645 CG ARG A 42 -5.653 -9.733 12.289 1.00 0.00 C ATOM 646 CD ARG A 42 -5.493 -11.057 13.019 1.00 0.00 C ATOM 647 NE ARG A 42 -6.780 -11.642 13.383 1.00 0.00 N ATOM 648 CZ ARG A 42 -7.509 -11.231 14.415 1.00 0.00 C ATOM 649 NH1 ARG A 42 -7.078 -10.239 15.181 1.00 0.00 N ATOM 650 NH2 ARG A 42 -8.671 -11.813 14.682 1.00 0.00 N ATOM 0 H ARG A 42 -2.131 -9.121 10.588 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.037 -11.139 10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.542 -9.397 12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.417 -8.229 11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.994 -8.970 12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.422 -9.830 11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.944 -11.755 12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.897 -10.905 13.919 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.139 -12.408 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.185 -9.789 14.979 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.639 -9.925 15.973 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.006 -12.577 14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.230 -11.497 15.475 1.00 0.00 H new ATOM 664 N ALA A 43 -5.032 -8.490 8.867 1.00 0.00 N ATOM 665 CA ALA A 43 -5.942 -8.057 7.814 1.00 0.00 C ATOM 666 C ALA A 43 -6.038 -9.102 6.708 1.00 0.00 C ATOM 667 O ALA A 43 -7.131 -9.524 6.332 1.00 0.00 O ATOM 668 CB ALA A 43 -5.491 -6.720 7.244 1.00 0.00 C ATOM 0 H ALA A 43 -4.447 -7.748 9.250 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.934 -7.937 8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.180 -6.408 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.481 -5.971 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.488 -6.821 6.828 1.00 0.00 H new ATOM 674 N PHE A 44 -4.886 -9.515 6.189 1.00 0.00 N ATOM 675 CA PHE A 44 -4.840 -10.509 5.124 1.00 0.00 C ATOM 676 C PHE A 44 -5.833 -11.637 5.390 1.00 0.00 C ATOM 677 O PHE A 44 -6.578 -12.045 4.499 1.00 0.00 O ATOM 678 CB PHE A 44 -3.426 -11.080 4.990 1.00 0.00 C ATOM 679 CG PHE A 44 -3.246 -11.956 3.784 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.678 -11.538 2.536 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.643 -13.199 3.898 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.513 -12.342 1.424 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.475 -14.007 2.790 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.911 -13.579 1.551 1.00 0.00 C ATOM 0 H PHE A 44 -3.972 -9.176 6.489 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.116 -10.018 4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.713 -10.257 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.188 -11.654 5.885 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.149 -10.572 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.301 -13.540 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.854 -12.004 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.003 -14.973 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.782 -14.210 0.684 1.00 0.00 H new ATOM 694 N TRP A 45 -5.835 -12.136 6.621 1.00 0.00 N ATOM 695 CA TRP A 45 -6.735 -13.218 7.005 1.00 0.00 C ATOM 696 C TRP A 45 -8.121 -12.679 7.344 1.00 0.00 C ATOM 697 O TRP A 45 -9.123 -13.122 6.784 1.00 0.00 O ATOM 698 CB TRP A 45 -6.166 -13.983 8.200 1.00 0.00 C ATOM 699 CG TRP A 45 -4.670 -14.084 8.183 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.870 -14.206 7.083 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.798 -14.075 9.318 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.552 -14.272 7.466 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.481 -14.193 8.831 1.00 0.00 C ATOM 704 CE3 TRP A 45 -4.000 -13.976 10.697 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.375 -14.216 9.677 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.901 -13.999 11.534 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.602 -14.118 11.022 1.00 0.00 C ATOM 0 H TRP A 45 -5.224 -11.809 7.370 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.827 -13.898 6.158 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.479 -13.490 9.120 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.591 -14.987 8.215 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.221 -14.245 6.063 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.756 -14.365 6.836 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.997 -13.883 11.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.373 -14.308 9.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.046 -13.924 12.602 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.764 -14.133 11.703 1.00 0.00 H new ATOM 718 N GLU A 46 -8.169 -11.720 8.264 1.00 0.00 N ATOM 719 CA GLU A 46 -9.433 -11.122 8.677 1.00 0.00 C ATOM 720 C GLU A 46 -10.206 -10.595 7.470 1.00 0.00 C ATOM 721 O GLU A 46 -11.407 -10.341 7.552 1.00 0.00 O ATOM 722 CB GLU A 46 -9.185 -9.987 9.672 1.00 0.00 C ATOM 723 CG GLU A 46 -8.866 -10.469 11.078 1.00 0.00 C ATOM 724 CD GLU A 46 -8.646 -9.327 12.050 1.00 0.00 C ATOM 725 OE1 GLU A 46 -8.098 -8.287 11.629 1.00 0.00 O ATOM 726 OE2 GLU A 46 -9.022 -9.472 13.232 1.00 0.00 O ATOM 0 H GLU A 46 -7.348 -11.341 8.737 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.030 -11.895 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.360 -9.373 9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.067 -9.347 9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.683 -11.095 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.974 -11.094 11.050 1.00 0.00 H new ATOM 733 N SER A 47 -9.506 -10.433 6.352 1.00 0.00 N ATOM 734 CA SER A 47 -10.124 -9.932 5.130 1.00 0.00 C ATOM 735 C SER A 47 -9.804 -10.842 3.947 1.00 0.00 C ATOM 736 O SER A 47 -8.983 -11.753 4.055 1.00 0.00 O ATOM 737 CB SER A 47 -9.644 -8.509 4.837 1.00 0.00 C ATOM 738 OG SER A 47 -10.415 -7.555 5.546 1.00 0.00 O ATOM 0 H SER A 47 -8.511 -10.641 6.267 1.00 0.00 H new ATOM 0 HA SER A 47 -11.204 -9.921 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.594 -8.412 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.711 -8.312 3.767 1.00 0.00 H new ATOM 0 HG SER A 47 -10.879 -6.972 4.910 1.00 0.00 H new ATOM 744 N SER A 48 -10.461 -10.589 2.820 1.00 0.00 N ATOM 745 CA SER A 48 -10.250 -11.387 1.617 1.00 0.00 C ATOM 746 C SER A 48 -8.955 -10.985 0.918 1.00 0.00 C ATOM 747 O SER A 48 -8.162 -11.839 0.520 1.00 0.00 O ATOM 748 CB SER A 48 -11.432 -11.224 0.659 1.00 0.00 C ATOM 749 OG SER A 48 -11.595 -12.377 -0.149 1.00 0.00 O ATOM 0 H SER A 48 -11.144 -9.838 2.714 1.00 0.00 H new ATOM 0 HA SER A 48 -10.172 -12.433 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.344 -11.043 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.273 -10.351 0.025 1.00 0.00 H new ATOM 0 HG SER A 48 -12.357 -12.249 -0.751 1.00 0.00 H new ATOM 755 N ILE A 49 -8.748 -9.681 0.774 1.00 0.00 N ATOM 756 CA ILE A 49 -7.549 -9.166 0.124 1.00 0.00 C ATOM 757 C ILE A 49 -6.967 -7.989 0.899 1.00 0.00 C ATOM 758 O ILE A 49 -7.610 -7.443 1.796 1.00 0.00 O ATOM 759 CB ILE A 49 -7.839 -8.721 -1.322 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.684 -9.773 -2.042 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.538 -8.474 -2.071 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.308 -9.271 -3.326 1.00 0.00 C ATOM 0 H ILE A 49 -9.394 -8.962 1.098 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.825 -9.981 0.106 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.402 -7.788 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.060 -10.638 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.474 -10.114 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.759 -8.160 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.970 -7.692 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.951 -9.392 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.893 -10.069 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.959 -8.424 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.523 -8.957 -4.014 1.00 0.00 H new ATOM 774 N VAL A 50 -5.745 -7.601 0.547 1.00 0.00 N ATOM 775 CA VAL A 50 -5.076 -6.487 1.207 1.00 0.00 C ATOM 776 C VAL A 50 -4.421 -5.559 0.190 1.00 0.00 C ATOM 777 O VAL A 50 -3.323 -5.831 -0.297 1.00 0.00 O ATOM 778 CB VAL A 50 -4.006 -6.982 2.198 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.241 -5.807 2.789 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.644 -7.820 3.296 1.00 0.00 C ATOM 0 H VAL A 50 -5.198 -8.043 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.842 -5.938 1.755 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.298 -7.611 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.489 -6.176 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.752 -5.252 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.933 -5.150 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.874 -8.161 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.374 -7.217 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.142 -8.682 2.853 1.00 0.00 H new ATOM 790 N TYR A 51 -5.100 -4.462 -0.125 1.00 0.00 N ATOM 791 CA TYR A 51 -4.586 -3.493 -1.086 1.00 0.00 C ATOM 792 C TYR A 51 -3.591 -2.545 -0.423 1.00 0.00 C ATOM 793 O TYR A 51 -3.966 -1.708 0.399 1.00 0.00 O ATOM 794 CB TYR A 51 -5.735 -2.695 -1.703 1.00 0.00 C ATOM 795 CG TYR A 51 -6.388 -3.385 -2.879 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.622 -3.962 -3.885 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.772 -3.460 -2.985 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.215 -4.592 -4.962 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.373 -4.090 -4.058 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.590 -4.654 -5.043 1.00 0.00 C ATOM 801 OH TYR A 51 -8.184 -5.282 -6.114 1.00 0.00 O ATOM 0 H TYR A 51 -6.008 -4.221 0.271 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.070 -4.040 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.488 -2.508 -0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.360 -1.724 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.545 -3.917 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.388 -3.018 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.605 -5.033 -5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.450 -4.140 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.158 -5.239 -6.019 1.00 0.00 H new ATOM 811 N LEU A 52 -2.321 -2.681 -0.788 1.00 0.00 N ATOM 812 CA LEU A 52 -1.270 -1.837 -0.231 1.00 0.00 C ATOM 813 C LEU A 52 -0.772 -0.833 -1.266 1.00 0.00 C ATOM 814 O LEU A 52 -0.178 -1.211 -2.276 1.00 0.00 O ATOM 815 CB LEU A 52 -0.106 -2.697 0.264 1.00 0.00 C ATOM 816 CG LEU A 52 -0.483 -3.922 1.097 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.660 -4.925 1.121 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.862 -3.509 2.512 1.00 0.00 C ATOM 0 H LEU A 52 -1.994 -3.368 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.689 -1.285 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.465 -3.033 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.557 -2.068 0.859 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.347 -4.399 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.373 -5.790 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.884 -5.245 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.543 -4.459 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.127 -4.394 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.017 -3.007 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.714 -2.830 2.477 1.00 0.00 H new ATOM 830 N VAL A 53 -1.016 0.447 -1.006 1.00 0.00 N ATOM 831 CA VAL A 53 -0.589 1.506 -1.914 1.00 0.00 C ATOM 832 C VAL A 53 0.821 1.980 -1.580 1.00 0.00 C ATOM 833 O VAL A 53 1.035 2.679 -0.589 1.00 0.00 O ATOM 834 CB VAL A 53 -1.549 2.709 -1.863 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.069 3.815 -2.791 1.00 0.00 C ATOM 836 CG2 VAL A 53 -2.963 2.278 -2.222 1.00 0.00 C ATOM 0 H VAL A 53 -1.507 0.776 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.599 1.085 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.560 3.100 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.760 4.657 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.076 4.142 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.027 3.439 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.628 3.141 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.972 1.861 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.304 1.523 -1.514 1.00 0.00 H new ATOM 846 N PHE A 54 1.782 1.596 -2.415 1.00 0.00 N ATOM 847 CA PHE A 54 3.173 1.982 -2.208 1.00 0.00 C ATOM 848 C PHE A 54 3.465 3.331 -2.858 1.00 0.00 C ATOM 849 O PHE A 54 2.962 3.633 -3.940 1.00 0.00 O ATOM 850 CB PHE A 54 4.110 0.915 -2.778 1.00 0.00 C ATOM 851 CG PHE A 54 3.898 -0.448 -2.184 1.00 0.00 C ATOM 852 CD1 PHE A 54 4.569 -0.828 -1.033 1.00 0.00 C ATOM 853 CD2 PHE A 54 3.028 -1.349 -2.776 1.00 0.00 C ATOM 854 CE1 PHE A 54 4.377 -2.082 -0.484 1.00 0.00 C ATOM 855 CE2 PHE A 54 2.831 -2.605 -2.231 1.00 0.00 C ATOM 856 CZ PHE A 54 3.506 -2.971 -1.083 1.00 0.00 C ATOM 0 H PHE A 54 1.623 1.018 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 54 3.344 2.071 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.969 0.858 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.142 1.221 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.250 -0.136 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.497 -1.067 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.908 -2.366 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.150 -3.298 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.353 -3.950 -0.654 1.00 0.00 H new ATOM 866 N SER A 55 4.281 4.139 -2.189 1.00 0.00 N ATOM 867 CA SER A 55 4.638 5.458 -2.698 1.00 0.00 C ATOM 868 C SER A 55 5.993 5.901 -2.156 1.00 0.00 C ATOM 869 O SER A 55 6.415 5.474 -1.081 1.00 0.00 O ATOM 870 CB SER A 55 3.565 6.481 -2.320 1.00 0.00 C ATOM 871 OG SER A 55 2.543 6.534 -3.300 1.00 0.00 O ATOM 0 H SER A 55 4.708 3.903 -1.293 1.00 0.00 H new ATOM 0 HA SER A 55 4.704 5.396 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.133 6.220 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.019 7.466 -2.210 1.00 0.00 H new ATOM 0 HG SER A 55 1.682 6.711 -2.866 1.00 0.00 H new ATOM 877 N VAL A 56 6.672 6.763 -2.907 1.00 0.00 N ATOM 878 CA VAL A 56 7.979 7.266 -2.503 1.00 0.00 C ATOM 879 C VAL A 56 7.888 8.712 -2.028 1.00 0.00 C ATOM 880 O VAL A 56 7.434 9.589 -2.761 1.00 0.00 O ATOM 881 CB VAL A 56 8.995 7.180 -3.658 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.281 7.907 -3.293 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.276 5.728 -4.012 1.00 0.00 C ATOM 0 H VAL A 56 6.338 7.127 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 56 8.320 6.637 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 56 8.566 7.667 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.987 7.836 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.062 8.956 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.717 7.451 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.996 5.686 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.685 5.214 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.350 5.242 -4.318 1.00 0.00 H new ATOM 893 N GLN A 57 8.324 8.952 -0.795 1.00 0.00 N ATOM 894 CA GLN A 57 8.291 10.292 -0.221 1.00 0.00 C ATOM 895 C GLN A 57 8.779 11.328 -1.229 1.00 0.00 C ATOM 896 O GLN A 57 8.254 12.439 -1.296 1.00 0.00 O ATOM 897 CB GLN A 57 9.151 10.349 1.043 1.00 0.00 C ATOM 898 CG GLN A 57 9.581 11.757 1.422 1.00 0.00 C ATOM 899 CD GLN A 57 9.807 11.917 2.913 1.00 0.00 C ATOM 900 OE1 GLN A 57 8.995 11.473 3.726 1.00 0.00 O ATOM 901 NE2 GLN A 57 10.914 12.552 3.280 1.00 0.00 N ATOM 0 H GLN A 57 8.704 8.237 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 57 7.258 10.523 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.594 9.913 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.039 9.734 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.499 12.008 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.820 12.466 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.559 12.903 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.119 12.688 4.270 1.00 0.00 H new ATOM 910 N GLY A 58 9.786 10.955 -2.013 1.00 0.00 N ATOM 911 CA GLY A 58 10.328 11.864 -3.007 1.00 0.00 C ATOM 912 C GLY A 58 9.323 12.204 -4.090 1.00 0.00 C ATOM 913 O GLY A 58 8.569 13.169 -3.965 1.00 0.00 O ATOM 0 H GLY A 58 10.236 10.040 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.654 12.781 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.211 11.415 -3.463 1.00 0.00 H new ATOM 917 N SER A 59 9.313 11.411 -5.156 1.00 0.00 N ATOM 918 CA SER A 59 8.397 11.636 -6.268 1.00 0.00 C ATOM 919 C SER A 59 7.062 12.181 -5.770 1.00 0.00 C ATOM 920 O SER A 59 6.644 11.900 -4.648 1.00 0.00 O ATOM 921 CB SER A 59 8.174 10.337 -7.044 1.00 0.00 C ATOM 922 OG SER A 59 7.721 10.601 -8.361 1.00 0.00 O ATOM 0 H SER A 59 9.929 10.607 -5.273 1.00 0.00 H new ATOM 0 HA SER A 59 8.846 12.374 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.103 9.769 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.444 9.719 -6.522 1.00 0.00 H new ATOM 0 HG SER A 59 7.588 9.755 -8.837 1.00 0.00 H new ATOM 928 N GLY A 60 6.396 12.962 -6.616 1.00 0.00 N ATOM 929 CA GLY A 60 5.115 13.534 -6.245 1.00 0.00 C ATOM 930 C GLY A 60 3.946 12.756 -6.815 1.00 0.00 C ATOM 931 O GLY A 60 2.848 13.294 -6.968 1.00 0.00 O ATOM 0 H GLY A 60 6.721 13.208 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.034 13.562 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.066 14.565 -6.595 1.00 0.00 H new ATOM 935 N HIS A 61 4.180 11.487 -7.132 1.00 0.00 N ATOM 936 CA HIS A 61 3.136 10.633 -7.690 1.00 0.00 C ATOM 937 C HIS A 61 3.055 9.311 -6.934 1.00 0.00 C ATOM 938 O HIS A 61 3.902 9.011 -6.092 1.00 0.00 O ATOM 939 CB HIS A 61 3.402 10.371 -9.173 1.00 0.00 C ATOM 940 CG HIS A 61 3.351 11.607 -10.018 1.00 0.00 C ATOM 941 ND1 HIS A 61 4.162 12.701 -9.800 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.582 11.917 -11.087 1.00 0.00 C ATOM 943 CE1 HIS A 61 3.892 13.631 -10.698 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.937 13.180 -11.492 1.00 0.00 N ATOM 0 H HIS A 61 5.082 11.027 -7.012 1.00 0.00 H new ATOM 0 HA HIS A 61 2.182 11.150 -7.585 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.382 9.907 -9.281 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.668 9.656 -9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.829 11.288 -11.538 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.371 14.596 -10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.530 13.687 -12.278 1.00 0.00 H new ATOM 952 N PHE A 62 2.029 8.523 -7.239 1.00 0.00 N ATOM 953 CA PHE A 62 1.835 7.233 -6.587 1.00 0.00 C ATOM 954 C PHE A 62 2.521 6.118 -7.372 1.00 0.00 C ATOM 955 O PHE A 62 2.093 5.766 -8.471 1.00 0.00 O ATOM 956 CB PHE A 62 0.342 6.928 -6.446 1.00 0.00 C ATOM 957 CG PHE A 62 -0.269 7.494 -5.196 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.117 6.847 -3.980 1.00 0.00 C ATOM 959 CD2 PHE A 62 -0.997 8.672 -5.238 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.679 7.366 -2.829 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.560 9.196 -4.089 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.402 8.541 -2.884 1.00 0.00 C ATOM 0 H PHE A 62 1.319 8.755 -7.934 1.00 0.00 H new ATOM 0 HA PHE A 62 2.284 7.285 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.186 7.327 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.197 5.848 -6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.447 5.927 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.126 9.187 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.553 6.853 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.123 10.117 -4.134 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.843 8.947 -1.986 1.00 0.00 H new ATOM 972 N GLN A 63 3.588 5.570 -6.799 1.00 0.00 N ATOM 973 CA GLN A 63 4.334 4.497 -7.446 1.00 0.00 C ATOM 974 C GLN A 63 3.414 3.335 -7.807 1.00 0.00 C ATOM 975 O GLN A 63 3.785 2.455 -8.583 1.00 0.00 O ATOM 976 CB GLN A 63 5.459 4.007 -6.532 1.00 0.00 C ATOM 977 CG GLN A 63 6.786 4.708 -6.772 1.00 0.00 C ATOM 978 CD GLN A 63 6.614 6.124 -7.286 1.00 0.00 C ATOM 979 OE1 GLN A 63 6.426 6.343 -8.483 1.00 0.00 O ATOM 980 NE2 GLN A 63 6.676 7.095 -6.382 1.00 0.00 N ATOM 0 H GLN A 63 3.955 5.851 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 63 4.767 4.892 -8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.162 4.154 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.592 2.935 -6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.354 4.730 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.371 4.134 -7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.834 6.868 -5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.566 8.067 -6.670 1.00 0.00 H new ATOM 989 N GLY A 64 2.213 3.339 -7.238 1.00 0.00 N ATOM 990 CA GLY A 64 1.259 2.280 -7.512 1.00 0.00 C ATOM 991 C GLY A 64 0.856 1.525 -6.261 1.00 0.00 C ATOM 992 O GLY A 64 1.172 1.941 -5.146 1.00 0.00 O ATOM 0 H GLY A 64 1.883 4.056 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.370 2.707 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.691 1.583 -8.230 1.00 0.00 H new ATOM 996 N PHE A 65 0.154 0.411 -6.444 1.00 0.00 N ATOM 997 CA PHE A 65 -0.296 -0.403 -5.321 1.00 0.00 C ATOM 998 C PHE A 65 -0.247 -1.887 -5.671 1.00 0.00 C ATOM 999 O PHE A 65 -0.168 -2.258 -6.842 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.718 -0.010 -4.916 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.768 -0.480 -5.882 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.009 0.215 -7.056 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.514 -1.617 -5.616 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -3.975 -0.216 -7.946 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.481 -2.053 -6.502 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.711 -1.351 -7.670 1.00 0.00 C ATOM 0 H PHE A 65 -0.115 0.052 -7.360 1.00 0.00 H new ATOM 0 HA PHE A 65 0.376 -0.223 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.933 -0.421 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.776 1.075 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.436 1.103 -7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.338 -2.169 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.154 0.335 -8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.056 -2.941 -6.282 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.465 -1.690 -8.365 1.00 0.00 H new ATOM 1016 N SER A 66 -0.293 -2.732 -4.646 1.00 0.00 N ATOM 1017 CA SER A 66 -0.249 -4.176 -4.843 1.00 0.00 C ATOM 1018 C SER A 66 -1.048 -4.897 -3.762 1.00 0.00 C ATOM 1019 O SER A 66 -0.989 -4.536 -2.587 1.00 0.00 O ATOM 1020 CB SER A 66 1.200 -4.669 -4.836 1.00 0.00 C ATOM 1021 OG SER A 66 2.065 -3.718 -5.431 1.00 0.00 O ATOM 0 H SER A 66 -0.361 -2.441 -3.671 1.00 0.00 H new ATOM 0 HA SER A 66 -0.697 -4.399 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.517 -4.862 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.268 -5.614 -5.374 1.00 0.00 H new ATOM 0 HG SER A 66 2.631 -4.162 -6.096 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.796 -5.917 -4.169 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.609 -6.689 -3.237 1.00 0.00 C ATOM 1029 C ARG A 67 -1.796 -7.819 -2.613 1.00 0.00 C ATOM 1030 O ARG A 67 -1.257 -8.672 -3.317 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.835 -7.262 -3.950 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.491 -8.211 -5.086 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.742 -8.735 -5.773 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.435 -9.780 -6.746 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.272 -10.160 -7.705 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.460 -9.583 -7.819 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.921 -11.119 -8.553 1.00 0.00 N ATOM 0 H ARG A 67 -1.856 -6.228 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.939 -6.020 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.454 -7.788 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.433 -6.440 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.863 -7.697 -5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.910 -9.048 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.429 -9.128 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.252 -7.912 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.528 -10.243 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.733 -8.845 -7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.101 -9.877 -8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.008 -11.565 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.565 -11.410 -9.289 1.00 0.00 H new ATOM 1051 N MET A 68 -1.711 -7.817 -1.286 1.00 0.00 N ATOM 1052 CA MET A 68 -0.964 -8.842 -0.567 1.00 0.00 C ATOM 1053 C MET A 68 -1.380 -10.238 -1.022 1.00 0.00 C ATOM 1054 O MET A 68 -2.566 -10.565 -1.044 1.00 0.00 O ATOM 1055 CB MET A 68 -1.181 -8.699 0.940 1.00 0.00 C ATOM 1056 CG MET A 68 -0.012 -9.200 1.773 1.00 0.00 C ATOM 1057 SD MET A 68 0.160 -8.314 3.334 1.00 0.00 S ATOM 1058 CE MET A 68 0.347 -9.678 4.479 1.00 0.00 C ATOM 0 H MET A 68 -2.150 -7.117 -0.688 1.00 0.00 H new ATOM 0 HA MET A 68 0.095 -8.707 -0.789 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.361 -7.650 1.175 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.080 -9.247 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.145 -10.263 1.976 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.909 -9.098 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.428 -9.292 5.495 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.521 -10.334 4.409 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.247 -10.240 4.231 1.00 0.00 H new ATOM 1068 N SER A 69 -0.396 -11.055 -1.384 1.00 0.00 N ATOM 1069 CA SER A 69 -0.661 -12.414 -1.843 1.00 0.00 C ATOM 1070 C SER A 69 -0.247 -13.434 -0.786 1.00 0.00 C ATOM 1071 O SER A 69 -0.877 -14.481 -0.639 1.00 0.00 O ATOM 1072 CB SER A 69 0.083 -12.687 -3.151 1.00 0.00 C ATOM 1073 OG SER A 69 0.026 -14.062 -3.492 1.00 0.00 O ATOM 0 H SER A 69 0.591 -10.800 -1.368 1.00 0.00 H new ATOM 0 HA SER A 69 -1.733 -12.511 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.354 -12.092 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.123 -12.376 -3.053 1.00 0.00 H new ATOM 0 HG SER A 69 0.507 -14.211 -4.333 1.00 0.00 H new ATOM 1079 N SER A 70 0.816 -13.119 -0.053 1.00 0.00 N ATOM 1080 CA SER A 70 1.317 -14.009 0.987 1.00 0.00 C ATOM 1081 C SER A 70 1.257 -13.335 2.354 1.00 0.00 C ATOM 1082 O SER A 70 0.982 -12.140 2.457 1.00 0.00 O ATOM 1083 CB SER A 70 2.755 -14.431 0.677 1.00 0.00 C ATOM 1084 OG SER A 70 3.093 -15.628 1.357 1.00 0.00 O ATOM 0 H SER A 70 1.347 -12.254 -0.160 1.00 0.00 H new ATOM 0 HA SER A 70 0.682 -14.895 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.872 -14.574 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.442 -13.637 0.969 1.00 0.00 H new ATOM 0 HG SER A 70 4.016 -15.877 1.141 1.00 0.00 H new ATOM 1090 N GLU A 71 1.516 -14.111 3.402 1.00 0.00 N ATOM 1091 CA GLU A 71 1.490 -13.589 4.764 1.00 0.00 C ATOM 1092 C GLU A 71 2.905 -13.382 5.294 1.00 0.00 C ATOM 1093 O GLU A 71 3.856 -13.999 4.813 1.00 0.00 O ATOM 1094 CB GLU A 71 0.723 -14.541 5.684 1.00 0.00 C ATOM 1095 CG GLU A 71 1.348 -15.921 5.789 1.00 0.00 C ATOM 1096 CD GLU A 71 0.659 -16.798 6.817 1.00 0.00 C ATOM 1097 OE1 GLU A 71 1.008 -16.699 8.011 1.00 0.00 O ATOM 1098 OE2 GLU A 71 -0.230 -17.582 6.425 1.00 0.00 O ATOM 0 H GLU A 71 1.746 -15.102 3.334 1.00 0.00 H new ATOM 0 HA GLU A 71 0.982 -12.625 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.664 -14.101 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.299 -14.641 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.307 -16.409 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.401 -15.820 6.051 1.00 0.00 H new ATOM 1105 N ILE A 72 3.037 -12.508 6.287 1.00 0.00 N ATOM 1106 CA ILE A 72 4.335 -12.220 6.883 1.00 0.00 C ATOM 1107 C ILE A 72 4.754 -13.322 7.849 1.00 0.00 C ATOM 1108 O ILE A 72 3.955 -13.786 8.662 1.00 0.00 O ATOM 1109 CB ILE A 72 4.325 -10.874 7.631 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.637 -9.800 6.784 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.744 -10.451 7.981 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.204 -8.589 7.580 1.00 0.00 C ATOM 0 H ILE A 72 2.261 -11.988 6.695 1.00 0.00 H new ATOM 0 HA ILE A 72 5.052 -12.166 6.064 1.00 0.00 H new ATOM 0 HB ILE A 72 3.764 -10.995 8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.317 -9.481 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.764 -10.236 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.720 -9.498 8.509 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.202 -11.207 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.328 -10.344 7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.724 -7.870 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.499 -8.895 8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.076 -8.128 8.045 1.00 0.00 H new ATOM 1124 N GLY A 73 6.014 -13.737 7.756 1.00 0.00 N ATOM 1125 CA GLY A 73 6.518 -14.781 8.629 1.00 0.00 C ATOM 1126 C GLY A 73 7.779 -15.428 8.092 1.00 0.00 C ATOM 1127 O GLY A 73 8.772 -14.747 7.835 1.00 0.00 O ATOM 0 H GLY A 73 6.695 -13.369 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.720 -14.360 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.750 -15.543 8.760 1.00 0.00 H new ATOM 1131 N ARG A 74 7.741 -16.745 7.923 1.00 0.00 N ATOM 1132 CA ARG A 74 8.892 -17.484 7.416 1.00 0.00 C ATOM 1133 C ARG A 74 9.619 -16.685 6.339 1.00 0.00 C ATOM 1134 O ARG A 74 10.833 -16.496 6.406 1.00 0.00 O ATOM 1135 CB ARG A 74 8.449 -18.835 6.852 1.00 0.00 C ATOM 1136 CG ARG A 74 9.578 -19.629 6.216 1.00 0.00 C ATOM 1137 CD ARG A 74 10.345 -20.436 7.252 1.00 0.00 C ATOM 1138 NE ARG A 74 9.531 -21.505 7.825 1.00 0.00 N ATOM 1139 CZ ARG A 74 9.758 -22.040 9.020 1.00 0.00 C ATOM 1140 NH1 ARG A 74 10.767 -21.608 9.763 1.00 0.00 N ATOM 1141 NH2 ARG A 74 8.973 -23.010 9.473 1.00 0.00 N ATOM 0 H ARG A 74 6.926 -17.323 8.129 1.00 0.00 H new ATOM 0 HA ARG A 74 9.579 -17.652 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.007 -19.427 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.668 -18.671 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.171 -20.300 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.260 -18.949 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.235 -20.865 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.686 -19.774 8.048 1.00 0.00 H new ATOM 0 HE ARG A 74 8.746 -21.860 7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.372 -20.863 9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.939 -22.021 10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.196 -23.345 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.147 -23.421 10.390 1.00 0.00 H new ATOM 1155 N GLU A 75 8.867 -16.219 5.346 1.00 0.00 N ATOM 1156 CA GLU A 75 9.442 -15.442 4.254 1.00 0.00 C ATOM 1157 C GLU A 75 10.570 -14.547 4.758 1.00 0.00 C ATOM 1158 O GLU A 75 10.383 -13.749 5.676 1.00 0.00 O ATOM 1159 CB GLU A 75 8.362 -14.590 3.582 1.00 0.00 C ATOM 1160 CG GLU A 75 7.658 -15.295 2.434 1.00 0.00 C ATOM 1161 CD GLU A 75 7.133 -14.328 1.391 1.00 0.00 C ATOM 1162 OE1 GLU A 75 7.920 -13.920 0.512 1.00 0.00 O ATOM 1163 OE2 GLU A 75 5.935 -13.980 1.453 1.00 0.00 O ATOM 0 H GLU A 75 7.860 -16.366 5.276 1.00 0.00 H new ATOM 0 HA GLU A 75 9.853 -16.139 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.622 -14.301 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.815 -13.671 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.350 -15.993 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.830 -15.884 2.827 1.00 0.00 H new ATOM 1170 N LYS A 76 11.744 -14.686 4.150 1.00 0.00 N ATOM 1171 CA LYS A 76 12.904 -13.891 4.535 1.00 0.00 C ATOM 1172 C LYS A 76 13.713 -13.481 3.308 1.00 0.00 C ATOM 1173 O LYS A 76 14.031 -14.311 2.457 1.00 0.00 O ATOM 1174 CB LYS A 76 13.790 -14.679 5.503 1.00 0.00 C ATOM 1175 CG LYS A 76 13.282 -14.672 6.934 1.00 0.00 C ATOM 1176 CD LYS A 76 13.607 -13.363 7.635 1.00 0.00 C ATOM 1177 CE LYS A 76 12.950 -13.287 9.005 1.00 0.00 C ATOM 1178 NZ LYS A 76 13.756 -13.983 10.046 1.00 0.00 N ATOM 0 H LYS A 76 11.917 -15.342 3.388 1.00 0.00 H new ATOM 0 HA LYS A 76 12.547 -12.989 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.864 -15.710 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.797 -14.263 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.204 -14.830 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.728 -15.501 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.687 -13.265 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.270 -12.527 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.817 -12.242 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.957 -13.733 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.275 -13.909 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.862 -14.986 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.695 -13.541 10.110 1.00 0.00 H new ATOM 1192 N SER A 77 14.044 -12.196 3.226 1.00 0.00 N ATOM 1193 CA SER A 77 14.814 -11.676 2.103 1.00 0.00 C ATOM 1194 C SER A 77 16.031 -10.896 2.593 1.00 0.00 C ATOM 1195 O SER A 77 16.074 -10.449 3.739 1.00 0.00 O ATOM 1196 CB SER A 77 13.937 -10.777 1.228 1.00 0.00 C ATOM 1197 OG SER A 77 13.256 -11.534 0.243 1.00 0.00 O ATOM 0 H SER A 77 13.791 -11.497 3.924 1.00 0.00 H new ATOM 0 HA SER A 77 15.161 -12.522 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.214 -10.251 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.554 -10.019 0.746 1.00 0.00 H new ATOM 0 HG SER A 77 13.107 -10.979 -0.551 1.00 0.00 H new ATOM 1203 N GLN A 78 17.017 -10.739 1.716 1.00 0.00 N ATOM 1204 CA GLN A 78 18.235 -10.014 2.059 1.00 0.00 C ATOM 1205 C GLN A 78 18.274 -8.656 1.366 1.00 0.00 C ATOM 1206 O GLN A 78 18.441 -7.622 2.014 1.00 0.00 O ATOM 1207 CB GLN A 78 19.467 -10.833 1.672 1.00 0.00 C ATOM 1208 CG GLN A 78 19.818 -11.918 2.678 1.00 0.00 C ATOM 1209 CD GLN A 78 20.493 -13.113 2.036 1.00 0.00 C ATOM 1210 OE1 GLN A 78 21.716 -13.148 1.894 1.00 0.00 O ATOM 1211 NE2 GLN A 78 19.699 -14.103 1.645 1.00 0.00 N ATOM 0 H GLN A 78 16.997 -11.104 0.764 1.00 0.00 H new ATOM 0 HA GLN A 78 18.240 -9.851 3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.296 -11.293 0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 78 20.319 -10.162 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 78 20.475 -11.501 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 78 18.910 -12.247 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.691 -14.032 1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.097 -14.934 1.208 1.00 0.00 H new ATOM 1220 N ASP A 79 18.120 -8.666 0.047 1.00 0.00 N ATOM 1221 CA ASP A 79 18.137 -7.435 -0.734 1.00 0.00 C ATOM 1222 C ASP A 79 17.230 -6.381 -0.108 1.00 0.00 C ATOM 1223 O ASP A 79 16.019 -6.377 -0.332 1.00 0.00 O ATOM 1224 CB ASP A 79 17.699 -7.713 -2.173 1.00 0.00 C ATOM 1225 CG ASP A 79 16.681 -8.833 -2.262 1.00 0.00 C ATOM 1226 OD1 ASP A 79 15.479 -8.561 -2.057 1.00 0.00 O ATOM 1227 OD2 ASP A 79 17.086 -9.982 -2.538 1.00 0.00 O ATOM 0 H ASP A 79 17.982 -9.513 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 79 19.158 -7.052 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.275 -6.805 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.572 -7.971 -2.772 1.00 0.00 H new ATOM 1232 N TRP A 80 17.823 -5.490 0.679 1.00 0.00 N ATOM 1233 CA TRP A 80 17.067 -4.431 1.339 1.00 0.00 C ATOM 1234 C TRP A 80 17.974 -3.260 1.701 1.00 0.00 C ATOM 1235 O TRP A 80 19.138 -3.450 2.053 1.00 0.00 O ATOM 1236 CB TRP A 80 16.384 -4.972 2.596 1.00 0.00 C ATOM 1237 CG TRP A 80 15.112 -5.711 2.310 1.00 0.00 C ATOM 1238 CD1 TRP A 80 14.769 -6.955 2.757 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.016 -5.253 1.512 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.526 -7.298 2.284 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.042 -6.270 1.519 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.761 -4.081 0.794 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 11.835 -6.150 0.834 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.563 -3.964 0.115 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.612 -4.992 0.140 1.00 0.00 C ATOM 0 H TRP A 80 18.824 -5.480 0.876 1.00 0.00 H new ATOM 0 HA TRP A 80 16.305 -4.075 0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.073 -5.637 3.117 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.170 -4.143 3.270 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.385 -7.578 3.389 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.042 -8.176 2.472 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.487 -3.282 0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.102 -6.943 0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.356 -3.064 -0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.684 -4.868 -0.399 1.00 0.00 H new ATOM 1256 N GLY A 81 17.433 -2.049 1.614 1.00 0.00 N ATOM 1257 CA GLY A 81 18.208 -0.865 1.937 1.00 0.00 C ATOM 1258 C GLY A 81 18.350 -0.655 3.431 1.00 0.00 C ATOM 1259 O GLY A 81 19.383 -0.178 3.902 1.00 0.00 O ATOM 0 H GLY A 81 16.472 -1.866 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.198 -0.949 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.731 0.009 1.494 1.00 0.00 H new ATOM 1263 N SER A 82 17.310 -1.010 4.179 1.00 0.00 N ATOM 1264 CA SER A 82 17.322 -0.852 5.628 1.00 0.00 C ATOM 1265 C SER A 82 17.311 -2.210 6.323 1.00 0.00 C ATOM 1266 O SER A 82 16.326 -2.944 6.259 1.00 0.00 O ATOM 1267 CB SER A 82 16.117 -0.025 6.082 1.00 0.00 C ATOM 1268 OG SER A 82 16.319 1.354 5.826 1.00 0.00 O ATOM 0 H SER A 82 16.449 -1.409 3.805 1.00 0.00 H new ATOM 0 HA SER A 82 18.238 -0.329 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.221 -0.367 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.947 -0.179 7.148 1.00 0.00 H new ATOM 0 HG SER A 82 15.534 1.860 6.123 1.00 0.00 H new ATOM 1274 N ALA A 83 18.415 -2.537 6.986 1.00 0.00 N ATOM 1275 CA ALA A 83 18.534 -3.805 7.695 1.00 0.00 C ATOM 1276 C ALA A 83 17.496 -3.911 8.808 1.00 0.00 C ATOM 1277 O ALA A 83 17.034 -5.003 9.137 1.00 0.00 O ATOM 1278 CB ALA A 83 19.937 -3.964 8.262 1.00 0.00 C ATOM 0 H ALA A 83 19.240 -1.941 7.047 1.00 0.00 H new ATOM 0 HA ALA A 83 18.349 -4.609 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.011 -4.915 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.663 -3.942 7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.144 -3.149 8.955 1.00 0.00 H new ATOM 1284 N GLY A 84 17.135 -2.769 9.385 1.00 0.00 N ATOM 1285 CA GLY A 84 16.155 -2.756 10.455 1.00 0.00 C ATOM 1286 C GLY A 84 14.799 -3.261 10.006 1.00 0.00 C ATOM 1287 O GLY A 84 13.869 -2.477 9.811 1.00 0.00 O ATOM 0 H GLY A 84 17.504 -1.853 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.514 -3.372 11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.053 -1.740 10.837 1.00 0.00 H new ATOM 1291 N LEU A 85 14.684 -4.574 9.839 1.00 0.00 N ATOM 1292 CA LEU A 85 13.431 -5.184 9.407 1.00 0.00 C ATOM 1293 C LEU A 85 13.192 -6.507 10.128 1.00 0.00 C ATOM 1294 O LEU A 85 14.030 -6.962 10.904 1.00 0.00 O ATOM 1295 CB LEU A 85 13.445 -5.410 7.895 1.00 0.00 C ATOM 1296 CG LEU A 85 13.728 -4.177 7.035 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.197 -4.591 5.648 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.491 -3.296 6.941 1.00 0.00 C ATOM 0 H LEU A 85 15.443 -5.237 9.996 1.00 0.00 H new ATOM 0 HA LEU A 85 12.619 -4.502 9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.196 -6.167 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.479 -5.820 7.600 1.00 0.00 H new ATOM 0 HG LEU A 85 14.523 -3.602 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.394 -3.701 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.110 -5.180 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.424 -5.189 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.711 -2.424 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.675 -3.861 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.199 -2.971 7.940 1.00 0.00 H new ATOM 1310 N GLY A 86 12.042 -7.120 9.864 1.00 0.00 N ATOM 1311 CA GLY A 86 11.714 -8.386 10.494 1.00 0.00 C ATOM 1312 C GLY A 86 10.397 -8.953 10.004 1.00 0.00 C ATOM 1313 O GLY A 86 9.337 -8.632 10.539 1.00 0.00 O ATOM 0 H GLY A 86 11.332 -6.763 9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.511 -9.103 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.668 -8.249 11.574 1.00 0.00 H new ATOM 1317 N GLY A 87 10.464 -9.800 8.981 1.00 0.00 N ATOM 1318 CA GLY A 87 9.260 -10.399 8.434 1.00 0.00 C ATOM 1319 C GLY A 87 8.915 -9.857 7.061 1.00 0.00 C ATOM 1320 O GLY A 87 8.357 -8.767 6.938 1.00 0.00 O ATOM 0 H GLY A 87 11.330 -10.082 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.391 -11.479 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.427 -10.217 9.113 1.00 0.00 H new ATOM 1324 N VAL A 88 9.249 -10.620 6.025 1.00 0.00 N ATOM 1325 CA VAL A 88 8.972 -10.210 4.653 1.00 0.00 C ATOM 1326 C VAL A 88 7.751 -10.935 4.099 1.00 0.00 C ATOM 1327 O VAL A 88 7.461 -12.068 4.484 1.00 0.00 O ATOM 1328 CB VAL A 88 10.177 -10.479 3.732 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.882 -10.009 2.316 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.425 -9.803 4.278 1.00 0.00 C ATOM 0 H VAL A 88 9.712 -11.525 6.110 1.00 0.00 H new ATOM 0 HA VAL A 88 8.775 -9.138 4.677 1.00 0.00 H new ATOM 0 HB VAL A 88 10.357 -11.554 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.745 -10.207 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.015 -10.544 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.675 -8.939 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.267 -10.003 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.259 -8.727 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.645 -10.193 5.272 1.00 0.00 H new ATOM 1340 N PHE A 89 7.038 -10.275 3.192 1.00 0.00 N ATOM 1341 CA PHE A 89 5.847 -10.857 2.585 1.00 0.00 C ATOM 1342 C PHE A 89 5.773 -10.516 1.099 1.00 0.00 C ATOM 1343 O PHE A 89 6.306 -9.499 0.656 1.00 0.00 O ATOM 1344 CB PHE A 89 4.589 -10.356 3.297 1.00 0.00 C ATOM 1345 CG PHE A 89 4.321 -8.894 3.085 1.00 0.00 C ATOM 1346 CD1 PHE A 89 4.995 -7.938 3.828 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.396 -8.474 2.142 1.00 0.00 C ATOM 1348 CE1 PHE A 89 4.750 -6.591 3.636 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.148 -7.129 1.945 1.00 0.00 C ATOM 1350 CZ PHE A 89 3.826 -6.186 2.692 1.00 0.00 C ATOM 0 H PHE A 89 7.264 -9.337 2.861 1.00 0.00 H new ATOM 0 HA PHE A 89 5.908 -11.940 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.731 -10.929 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.685 -10.548 4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.720 -8.249 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.863 -9.207 1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.280 -5.856 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.424 -6.815 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.634 -5.134 2.539 1.00 0.00 H new ATOM 1360 N LYS A 90 5.108 -11.376 0.334 1.00 0.00 N ATOM 1361 CA LYS A 90 4.962 -11.168 -1.102 1.00 0.00 C ATOM 1362 C LYS A 90 3.856 -10.161 -1.397 1.00 0.00 C ATOM 1363 O LYS A 90 2.983 -9.920 -0.562 1.00 0.00 O ATOM 1364 CB LYS A 90 4.658 -12.495 -1.802 1.00 0.00 C ATOM 1365 CG LYS A 90 5.901 -13.241 -2.256 1.00 0.00 C ATOM 1366 CD LYS A 90 5.570 -14.657 -2.697 1.00 0.00 C ATOM 1367 CE LYS A 90 5.561 -15.620 -1.520 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.899 -17.009 -1.937 1.00 0.00 N ATOM 0 H LYS A 90 4.662 -12.223 0.685 1.00 0.00 H new ATOM 0 HA LYS A 90 5.902 -10.770 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.089 -13.132 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.023 -12.303 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.370 -12.702 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.626 -13.272 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.596 -14.669 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.300 -14.989 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.275 -15.282 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.577 -15.611 -1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.882 -17.635 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.203 -17.341 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.848 -17.023 -2.362 1.00 0.00 H new ATOM 1382 N VAL A 91 3.896 -9.575 -2.589 1.00 0.00 N ATOM 1383 CA VAL A 91 2.895 -8.596 -2.995 1.00 0.00 C ATOM 1384 C VAL A 91 2.566 -8.728 -4.478 1.00 0.00 C ATOM 1385 O VAL A 91 3.458 -8.900 -5.308 1.00 0.00 O ATOM 1386 CB VAL A 91 3.369 -7.158 -2.711 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.201 -6.821 -1.238 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.816 -6.980 -3.146 1.00 0.00 C ATOM 0 H VAL A 91 4.612 -9.762 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 91 1.999 -8.798 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 91 2.752 -6.469 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.541 -5.801 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.150 -6.907 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.791 -7.513 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.135 -5.959 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.449 -7.677 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.901 -7.177 -4.215 1.00 0.00 H new ATOM 1398 N GLU A 92 1.280 -8.646 -4.803 1.00 0.00 N ATOM 1399 CA GLU A 92 0.834 -8.756 -6.187 1.00 0.00 C ATOM 1400 C GLU A 92 0.648 -7.376 -6.810 1.00 0.00 C ATOM 1401 O GLU A 92 -0.312 -6.669 -6.503 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.477 -9.543 -6.262 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.669 -10.281 -7.576 1.00 0.00 C ATOM 1404 CD GLU A 92 0.595 -10.973 -8.047 1.00 0.00 C ATOM 1405 OE1 GLU A 92 1.112 -11.833 -7.303 1.00 0.00 O ATOM 1406 OE2 GLU A 92 1.067 -10.655 -9.158 1.00 0.00 O ATOM 0 H GLU A 92 0.529 -8.504 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 92 1.602 -9.288 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.507 -10.262 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.312 -8.857 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.462 -11.020 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.999 -9.576 -8.339 1.00 0.00 H new ATOM 1413 N TRP A 93 1.572 -7.001 -7.686 1.00 0.00 N ATOM 1414 CA TRP A 93 1.511 -5.705 -8.353 1.00 0.00 C ATOM 1415 C TRP A 93 0.473 -5.716 -9.470 1.00 0.00 C ATOM 1416 O TRP A 93 0.454 -6.623 -10.303 1.00 0.00 O ATOM 1417 CB TRP A 93 2.883 -5.334 -8.919 1.00 0.00 C ATOM 1418 CG TRP A 93 3.839 -4.834 -7.879 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.750 -5.573 -7.180 1.00 0.00 C ATOM 1420 CD2 TRP A 93 3.977 -3.485 -7.419 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.446 -4.764 -6.313 1.00 0.00 N ATOM 1422 CE2 TRP A 93 4.991 -3.479 -6.442 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.343 -2.281 -7.740 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.383 -2.317 -5.783 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.733 -1.128 -7.085 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.746 -1.152 -6.117 1.00 0.00 C ATOM 0 H TRP A 93 2.372 -7.575 -7.951 1.00 0.00 H new ATOM 0 HA TRP A 93 1.216 -4.959 -7.615 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.314 -6.207 -9.409 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.757 -4.569 -9.685 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.902 -6.636 -7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.182 -5.071 -5.677 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.563 -2.252 -8.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.162 -2.334 -5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.249 -0.193 -7.323 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.030 -0.234 -5.625 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.387 -4.704 -9.482 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.427 -4.598 -10.498 1.00 0.00 C ATOM 1439 C ILE A 94 -1.031 -3.608 -11.588 1.00 0.00 C ATOM 1440 O ILE A 94 -1.014 -3.947 -12.772 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.770 -4.159 -9.885 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.201 -5.138 -8.791 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.838 -4.060 -10.965 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.514 -4.901 -7.464 1.00 0.00 C ATOM 0 H ILE A 94 -0.385 -3.946 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.543 -5.590 -10.935 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.642 -3.174 -9.435 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.279 -5.063 -8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.993 -6.155 -9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.781 -3.749 -10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.533 -3.328 -11.713 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.966 -5.032 -11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.867 -5.631 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.436 -5.005 -7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.743 -3.896 -7.110 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.712 -2.384 -11.181 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.315 -1.344 -12.123 1.00 0.00 C ATOM 1458 C ARG A 95 0.948 -0.632 -11.647 1.00 0.00 C ATOM 1459 O ARG A 95 1.041 -0.215 -10.493 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.447 -0.331 -12.304 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.770 -0.961 -12.709 1.00 0.00 C ATOM 1462 CD ARG A 95 -2.739 -1.445 -14.150 1.00 0.00 C ATOM 1463 NE ARG A 95 -3.771 -2.443 -14.415 1.00 0.00 N ATOM 1464 CZ ARG A 95 -4.158 -2.794 -15.636 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -3.601 -2.230 -16.699 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -5.104 -3.711 -15.796 1.00 0.00 N ATOM 0 H ARG A 95 -0.721 -2.088 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.104 -1.818 -13.081 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.585 0.217 -11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.154 0.397 -13.061 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.993 -1.798 -12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.573 -0.234 -12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.875 -0.596 -14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.759 -1.870 -14.369 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.220 -2.896 -13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.874 -1.525 -16.580 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.900 -2.501 -17.636 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.535 -4.147 -14.981 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.400 -3.980 -16.734 1.00 0.00 H new ATOM 1480 N LYS A 96 1.919 -0.498 -12.544 1.00 0.00 N ATOM 1481 CA LYS A 96 3.177 0.163 -12.218 1.00 0.00 C ATOM 1482 C LYS A 96 3.195 1.591 -12.754 1.00 0.00 C ATOM 1483 O LYS A 96 4.252 2.215 -12.845 1.00 0.00 O ATOM 1484 CB LYS A 96 4.355 -0.625 -12.795 1.00 0.00 C ATOM 1485 CG LYS A 96 4.693 -1.879 -12.007 1.00 0.00 C ATOM 1486 CD LYS A 96 5.552 -2.833 -12.819 1.00 0.00 C ATOM 1487 CE LYS A 96 6.113 -3.951 -11.954 1.00 0.00 C ATOM 1488 NZ LYS A 96 6.952 -4.895 -12.743 1.00 0.00 N ATOM 0 H LYS A 96 1.859 -0.839 -13.503 1.00 0.00 H new ATOM 0 HA LYS A 96 3.270 0.200 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.126 -0.903 -13.824 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.232 0.021 -12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.218 -1.604 -11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.773 -2.381 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.959 -3.260 -13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.372 -2.283 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.709 -3.522 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.292 -4.497 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.316 -5.642 -12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.377 -5.323 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.750 -4.380 -13.167 1.00 0.00 H new ATOM 1502 N GLU A 97 2.019 2.102 -13.105 1.00 0.00 N ATOM 1503 CA GLU A 97 1.903 3.457 -13.630 1.00 0.00 C ATOM 1504 C GLU A 97 1.983 4.486 -12.506 1.00 0.00 C ATOM 1505 O GLU A 97 1.821 4.152 -11.332 1.00 0.00 O ATOM 1506 CB GLU A 97 0.586 3.621 -14.392 1.00 0.00 C ATOM 1507 CG GLU A 97 0.634 4.693 -15.467 1.00 0.00 C ATOM 1508 CD GLU A 97 -0.328 4.420 -16.608 1.00 0.00 C ATOM 1509 OE1 GLU A 97 -1.171 3.509 -16.468 1.00 0.00 O ATOM 1510 OE2 GLU A 97 -0.237 5.117 -17.640 1.00 0.00 O ATOM 0 H GLU A 97 1.135 1.599 -13.035 1.00 0.00 H new ATOM 0 HA GLU A 97 2.735 3.626 -14.314 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.321 2.669 -14.852 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.206 3.864 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.398 5.660 -15.022 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.648 4.762 -15.861 1.00 0.00 H new ATOM 1517 N SER A 98 2.237 5.737 -12.874 1.00 0.00 N ATOM 1518 CA SER A 98 2.344 6.815 -11.897 1.00 0.00 C ATOM 1519 C SER A 98 1.124 7.729 -11.960 1.00 0.00 C ATOM 1520 O SER A 98 0.840 8.333 -12.996 1.00 0.00 O ATOM 1521 CB SER A 98 3.618 7.627 -12.139 1.00 0.00 C ATOM 1522 OG SER A 98 4.632 6.824 -12.718 1.00 0.00 O ATOM 0 H SER A 98 2.373 6.030 -13.842 1.00 0.00 H new ATOM 0 HA SER A 98 2.390 6.368 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.397 8.469 -12.795 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.973 8.043 -11.196 1.00 0.00 H new ATOM 0 HG SER A 98 5.435 7.366 -12.864 1.00 0.00 H new ATOM 1528 N LEU A 99 0.407 7.826 -10.846 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.783 8.667 -10.773 1.00 0.00 C ATOM 1530 C LEU A 99 -0.483 9.973 -10.045 1.00 0.00 C ATOM 1531 O LEU A 99 -0.001 9.984 -8.912 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.915 7.922 -10.064 1.00 0.00 C ATOM 1533 CG LEU A 99 -3.207 8.711 -9.850 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -4.032 8.741 -11.127 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -4.013 8.114 -8.706 1.00 0.00 C ATOM 0 H LEU A 99 0.629 7.333 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.094 8.904 -11.791 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.151 7.027 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.551 7.589 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.945 9.736 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.948 9.307 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.456 9.215 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.285 7.722 -11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.929 8.688 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.265 7.079 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.423 8.146 -7.790 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.777 11.101 -10.708 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.550 12.434 -10.141 1.00 0.00 C ATOM 1549 C PRO A 100 -1.502 12.745 -8.991 1.00 0.00 C ATOM 1550 O PRO A 100 -2.712 12.546 -9.103 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.813 13.371 -11.322 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.734 12.610 -12.211 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.354 11.163 -12.061 1.00 0.00 C ATOM 0 HA PRO A 100 0.449 12.532 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.264 14.307 -10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.112 13.628 -11.837 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.774 12.772 -11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.633 12.934 -13.247 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.220 10.508 -12.159 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.634 10.856 -12.819 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.949 13.235 -7.887 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.749 13.574 -6.716 1.00 0.00 C ATOM 1563 C PHE A 101 -3.002 14.347 -7.118 1.00 0.00 C ATOM 1564 O PHE A 101 -4.072 14.156 -6.542 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.923 14.399 -5.727 1.00 0.00 C ATOM 1566 CG PHE A 101 0.074 13.584 -4.953 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.314 12.420 -4.309 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.398 13.982 -4.869 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.601 11.669 -3.596 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.318 13.235 -4.157 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.918 12.077 -3.520 1.00 0.00 C ATOM 0 H PHE A 101 0.051 13.406 -7.778 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.055 12.644 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.396 15.183 -6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.597 14.894 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.343 12.096 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.716 14.887 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.286 10.764 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.347 13.556 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.634 11.491 -2.963 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.858 15.219 -8.111 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.977 16.022 -8.589 1.00 0.00 C ATOM 1583 C GLN A 102 -5.237 15.175 -8.724 1.00 0.00 C ATOM 1584 O GLN A 102 -6.332 15.612 -8.370 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.633 16.663 -9.935 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.820 17.327 -10.614 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.409 18.464 -11.529 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -4.542 19.637 -11.179 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -3.905 18.122 -12.709 1.00 0.00 N ATOM 0 H GLN A 102 -1.978 15.387 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.166 16.807 -7.857 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.849 17.405 -9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.226 15.900 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.367 16.581 -11.191 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.503 17.706 -9.854 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.813 17.137 -12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.610 18.844 -13.366 1.00 0.00 H new ATOM 1598 N PHE A 103 -5.075 13.960 -9.238 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.201 13.051 -9.420 1.00 0.00 C ATOM 1600 C PHE A 103 -6.849 12.713 -8.081 1.00 0.00 C ATOM 1601 O PHE A 103 -8.072 12.624 -7.977 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.740 11.767 -10.114 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.734 11.866 -11.613 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -5.074 12.904 -12.250 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.388 10.919 -12.385 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -5.066 12.998 -13.629 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.384 11.007 -13.764 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.723 12.048 -14.387 1.00 0.00 C ATOM 0 H PHE A 103 -4.175 13.582 -9.536 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.941 13.550 -10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.736 11.518 -9.770 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.392 10.947 -9.814 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.559 13.649 -11.662 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.907 10.103 -11.903 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.547 13.812 -14.113 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.897 10.262 -14.354 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.720 12.119 -15.465 1.00 0.00 H new ATOM 1618 N ALA A 104 -6.021 12.525 -7.059 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.512 12.199 -5.726 1.00 0.00 C ATOM 1620 C ALA A 104 -6.629 13.450 -4.863 1.00 0.00 C ATOM 1621 O ALA A 104 -6.711 13.365 -3.637 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.599 11.179 -5.062 1.00 0.00 C ATOM 0 H ALA A 104 -5.006 12.593 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.507 11.766 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.978 10.945 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.571 10.270 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.593 11.590 -4.980 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.636 14.611 -5.509 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.743 15.881 -4.799 1.00 0.00 C ATOM 1630 C HIS A 105 -8.155 16.084 -4.259 1.00 0.00 C ATOM 1631 O HIS A 105 -8.456 17.111 -3.649 1.00 0.00 O ATOM 1632 CB HIS A 105 -6.366 17.039 -5.723 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.988 18.290 -4.991 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -6.369 18.546 -3.691 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -5.258 19.360 -5.385 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.890 19.719 -3.317 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -5.212 20.233 -4.326 1.00 0.00 N ATOM 0 H HIS A 105 -6.569 14.699 -6.523 1.00 0.00 H new ATOM 0 HA HIS A 105 -6.051 15.858 -3.957 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.533 16.732 -6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.206 17.254 -6.384 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.933 17.926 -3.109 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.798 19.501 -6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -6.030 20.179 -2.350 1.00 0.00 H new ATOM 1645 N HIS A 106 -9.018 15.099 -4.487 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.399 15.170 -4.024 1.00 0.00 C ATOM 1647 C HIS A 106 -10.663 14.128 -2.941 1.00 0.00 C ATOM 1648 O HIS A 106 -11.659 14.205 -2.220 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.363 14.965 -5.192 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.306 13.588 -5.781 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.279 13.161 -6.596 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.155 12.541 -5.668 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.500 11.910 -6.959 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.632 11.510 -6.409 1.00 0.00 N ATOM 0 H HIS A 106 -8.785 14.242 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.563 16.160 -3.599 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.379 15.164 -4.853 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.138 15.694 -5.971 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -9.475 13.723 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.074 12.520 -5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.863 11.315 -7.597 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.767 13.153 -2.834 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.903 12.094 -1.840 1.00 0.00 C ATOM 1664 C LEU A 107 -9.163 12.454 -0.556 1.00 0.00 C ATOM 1665 O LEU A 107 -8.093 13.064 -0.593 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.369 10.773 -2.397 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.943 10.332 -3.744 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.198 9.114 -4.268 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.431 10.037 -3.620 1.00 0.00 C ATOM 0 H LEU A 107 -8.938 13.074 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.962 11.982 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.286 10.854 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.565 9.988 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.813 11.147 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.620 8.814 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.144 9.360 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.296 8.294 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.822 9.725 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.585 9.240 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.954 10.935 -3.290 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.738 12.071 0.579 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.131 12.351 1.876 1.00 0.00 C ATOM 1683 C LEU A 108 -9.202 11.129 2.785 1.00 0.00 C ATOM 1684 O LEU A 108 -9.670 10.067 2.378 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.830 13.538 2.542 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.063 14.763 1.657 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.124 15.667 2.265 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.763 15.527 1.450 1.00 0.00 C ATOM 0 H LEU A 108 -10.623 11.566 0.628 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.082 12.599 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.794 13.200 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.238 13.845 3.404 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.419 14.422 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.276 16.533 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.060 15.117 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.797 16.000 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.948 16.395 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.377 15.856 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.032 14.877 0.969 1.00 0.00 H new ATOM 1700 N ASN A 109 -8.737 11.289 4.020 1.00 0.00 N ATOM 1701 CA ASN A 109 -8.749 10.198 4.988 1.00 0.00 C ATOM 1702 C ASN A 109 -9.404 10.638 6.294 1.00 0.00 C ATOM 1703 O ASN A 109 -8.783 11.274 7.146 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.323 9.712 5.258 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.288 8.501 6.170 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.927 8.483 7.222 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -6.539 7.480 5.769 1.00 0.00 N ATOM 0 H ASN A 109 -8.348 12.163 4.374 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.331 9.378 4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.841 9.465 4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.746 10.520 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.477 6.638 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.026 7.538 4.889 1.00 0.00 H new ATOM 1714 N PRO A 110 -10.689 10.291 6.457 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.457 10.638 7.657 1.00 0.00 C ATOM 1716 C PRO A 110 -10.991 9.867 8.887 1.00 0.00 C ATOM 1717 O PRO A 110 -11.527 10.041 9.981 1.00 0.00 O ATOM 1718 CB PRO A 110 -12.889 10.243 7.289 1.00 0.00 C ATOM 1719 CG PRO A 110 -12.735 9.182 6.254 1.00 0.00 C ATOM 1720 CD PRO A 110 -11.492 9.533 5.483 1.00 0.00 C ATOM 0 HA PRO A 110 -11.345 11.689 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.433 9.873 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.448 11.095 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.644 8.198 6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -13.605 9.148 5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -10.968 8.642 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -11.722 10.130 4.600 1.00 0.00 H new ATOM 1728 N TRP A 111 -9.989 9.014 8.700 1.00 0.00 N ATOM 1729 CA TRP A 111 -9.451 8.216 9.796 1.00 0.00 C ATOM 1730 C TRP A 111 -8.151 8.816 10.319 1.00 0.00 C ATOM 1731 O TRP A 111 -7.644 8.407 11.362 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.213 6.776 9.336 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.443 5.922 9.400 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -11.729 6.348 9.575 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.502 4.495 9.291 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.584 5.272 9.581 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -11.856 4.124 9.408 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.543 3.496 9.104 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -12.271 2.797 9.346 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -9.957 2.179 9.043 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -11.311 1.839 9.162 1.00 0.00 C ATOM 0 H TRP A 111 -9.534 8.858 7.801 1.00 0.00 H new ATOM 0 HA TRP A 111 -10.181 8.216 10.605 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.839 6.786 8.312 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -8.436 6.328 9.955 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.030 7.379 9.692 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.596 5.320 9.696 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.497 3.749 9.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.314 2.533 9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -9.224 1.398 8.901 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -11.603 0.801 9.107 1.00 0.00 H new ATOM 1752 N ASN A 112 -7.618 9.790 9.589 1.00 0.00 N ATOM 1753 CA ASN A 112 -6.376 10.447 9.980 1.00 0.00 C ATOM 1754 C ASN A 112 -6.522 11.964 9.925 1.00 0.00 C ATOM 1755 O ASN A 112 -5.735 12.651 9.274 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.229 10.000 9.071 1.00 0.00 C ATOM 1757 CG ASN A 112 -3.924 10.697 9.402 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -3.459 10.661 10.541 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.326 11.338 8.404 1.00 0.00 N ATOM 0 H ASN A 112 -8.027 10.142 8.723 1.00 0.00 H new ATOM 0 HA ASN A 112 -6.150 10.159 11.007 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.095 8.922 9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.492 10.202 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.445 11.826 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.747 11.342 7.475 1.00 0.00 H new ATOM 1766 N ASP A 113 -7.534 12.481 10.614 1.00 0.00 N ATOM 1767 CA ASP A 113 -7.783 13.917 10.645 1.00 0.00 C ATOM 1768 C ASP A 113 -8.295 14.410 9.295 1.00 0.00 C ATOM 1769 O ASP A 113 -7.856 15.444 8.794 1.00 0.00 O ATOM 1770 CB ASP A 113 -6.507 14.670 11.026 1.00 0.00 C ATOM 1771 CG ASP A 113 -6.797 16.007 11.680 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -7.661 16.052 12.580 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -6.160 17.008 11.291 1.00 0.00 O ATOM 0 H ASP A 113 -8.195 11.927 11.158 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.548 14.111 11.396 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.916 14.057 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.902 14.829 10.133 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.224 13.661 8.711 1.00 0.00 N ATOM 1779 CA ASN A 114 -9.794 14.020 7.418 1.00 0.00 C ATOM 1780 C ASN A 114 -8.742 14.662 6.519 1.00 0.00 C ATOM 1781 O ASN A 114 -9.053 15.525 5.698 1.00 0.00 O ATOM 1782 CB ASN A 114 -10.973 14.977 7.605 1.00 0.00 C ATOM 1783 CG ASN A 114 -10.712 16.012 8.682 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -11.151 15.861 9.823 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -9.995 17.071 8.324 1.00 0.00 N ATOM 0 H ASN A 114 -9.598 12.801 9.113 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.148 13.107 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.180 15.482 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.864 14.405 7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.788 17.801 9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.652 17.155 7.367 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.494 14.233 6.679 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.394 14.763 5.882 1.00 0.00 C ATOM 1794 C LYS A 115 -6.304 14.048 4.537 1.00 0.00 C ATOM 1795 O LYS A 115 -6.598 12.857 4.434 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.072 14.618 6.639 1.00 0.00 C ATOM 1797 CG LYS A 115 -4.832 15.716 7.659 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.430 17.020 6.991 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.361 18.163 7.993 1.00 0.00 C ATOM 1800 NZ LYS A 115 -4.487 19.490 7.330 1.00 0.00 N ATOM 0 H LYS A 115 -7.219 13.519 7.354 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.586 15.820 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.057 13.653 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.251 14.614 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.736 15.871 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.050 15.405 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.460 16.899 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.147 17.265 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.156 18.048 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.416 18.115 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.435 20.242 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.714 19.611 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.400 19.546 6.835 1.00 0.00 H new ATOM 1814 N LYS A 116 -5.893 14.783 3.509 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.761 14.219 2.170 1.00 0.00 C ATOM 1816 C LYS A 116 -5.129 12.832 2.224 1.00 0.00 C ATOM 1817 O LYS A 116 -4.240 12.574 3.035 1.00 0.00 O ATOM 1818 CB LYS A 116 -4.916 15.141 1.288 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.540 14.527 -0.049 1.00 0.00 C ATOM 1820 CD LYS A 116 -4.063 15.582 -1.033 1.00 0.00 C ATOM 1821 CE LYS A 116 -5.082 16.700 -1.188 1.00 0.00 C ATOM 1822 NZ LYS A 116 -6.478 16.182 -1.199 1.00 0.00 N ATOM 0 H LYS A 116 -5.646 15.770 3.577 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.759 14.128 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.466 16.066 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.006 15.409 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.756 13.785 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.401 14.003 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.115 15.997 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.878 15.120 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.966 17.413 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.889 17.242 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.131 16.949 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.557 15.411 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.723 15.823 -0.254 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.595 11.941 1.354 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.074 10.580 1.301 1.00 0.00 C ATOM 1838 C VAL A 117 -3.555 10.577 1.176 1.00 0.00 C ATOM 1839 O VAL A 117 -2.863 9.870 1.908 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.676 9.794 0.122 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.449 8.301 0.303 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -7.159 10.102 -0.021 1.00 0.00 C ATOM 0 H VAL A 117 -6.332 12.137 0.677 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.360 10.096 2.235 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.173 10.105 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.882 7.762 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.379 8.099 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.924 7.970 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.569 9.538 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.679 9.820 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.293 11.169 -0.201 1.00 0.00 H new ATOM 1852 N GLN A 118 -3.042 11.374 0.244 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.603 11.464 0.023 1.00 0.00 C ATOM 1854 C GLN A 118 -0.866 11.718 1.334 1.00 0.00 C ATOM 1855 O GLN A 118 0.261 11.259 1.522 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.288 12.577 -0.977 1.00 0.00 C ATOM 1857 CG GLN A 118 -1.137 13.947 -0.336 1.00 0.00 C ATOM 1858 CD GLN A 118 0.286 14.233 0.100 1.00 0.00 C ATOM 1859 OE1 GLN A 118 1.110 13.324 0.208 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.584 15.502 0.355 1.00 0.00 N ATOM 0 H GLN A 118 -3.601 11.966 -0.370 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.263 10.512 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.368 12.329 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.082 12.620 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.457 14.712 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.798 14.015 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.129 16.224 0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.526 15.755 0.653 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.509 12.452 2.236 1.00 0.00 N ATOM 1870 CA ILE A 119 -0.914 12.766 3.529 1.00 0.00 C ATOM 1871 C ILE A 119 -0.964 11.563 4.464 1.00 0.00 C ATOM 1872 O ILE A 119 -1.726 11.546 5.431 1.00 0.00 O ATOM 1873 CB ILE A 119 -1.625 13.955 4.201 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -1.704 15.141 3.238 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -0.900 14.352 5.479 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.518 16.299 3.772 1.00 0.00 C ATOM 0 H ILE A 119 -2.442 12.840 2.095 1.00 0.00 H new ATOM 0 HA ILE A 119 0.126 13.034 3.342 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.640 13.653 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.694 15.488 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.138 14.806 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.414 15.194 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.890 13.508 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.125 14.639 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.531 17.104 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.538 15.968 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.072 16.661 4.698 1.00 0.00 H new ATOM 1888 N SER A 120 -0.146 10.557 4.171 1.00 0.00 N ATOM 1889 CA SER A 120 -0.098 9.348 4.984 1.00 0.00 C ATOM 1890 C SER A 120 1.343 8.901 5.209 1.00 0.00 C ATOM 1891 O SER A 120 2.189 9.029 4.324 1.00 0.00 O ATOM 1892 CB SER A 120 -0.894 8.226 4.315 1.00 0.00 C ATOM 1893 OG SER A 120 -0.510 6.958 4.819 1.00 0.00 O ATOM 0 H SER A 120 0.493 10.556 3.376 1.00 0.00 H new ATOM 0 HA SER A 120 -0.545 9.573 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.960 8.381 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.735 8.256 3.237 1.00 0.00 H new ATOM 0 HG SER A 120 0.400 6.749 4.521 1.00 0.00 H new ATOM 1899 N ARG A 121 1.614 8.376 6.399 1.00 0.00 N ATOM 1900 CA ARG A 121 2.953 7.911 6.742 1.00 0.00 C ATOM 1901 C ARG A 121 3.105 6.423 6.441 1.00 0.00 C ATOM 1902 O ARG A 121 2.139 5.751 6.077 1.00 0.00 O ATOM 1903 CB ARG A 121 3.244 8.175 8.221 1.00 0.00 C ATOM 1904 CG ARG A 121 3.393 9.649 8.558 1.00 0.00 C ATOM 1905 CD ARG A 121 4.646 10.241 7.931 1.00 0.00 C ATOM 1906 NE ARG A 121 4.776 11.668 8.209 1.00 0.00 N ATOM 1907 CZ ARG A 121 5.714 12.439 7.672 1.00 0.00 C ATOM 1908 NH1 ARG A 121 6.600 11.923 6.831 1.00 0.00 N ATOM 1909 NH2 ARG A 121 5.768 13.730 7.975 1.00 0.00 N ATOM 0 H ARG A 121 0.925 8.262 7.142 1.00 0.00 H new ATOM 0 HA ARG A 121 3.669 8.463 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.439 7.753 8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.158 7.652 8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.517 10.194 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.433 9.774 9.640 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.523 9.717 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 121 4.621 10.083 6.853 1.00 0.00 H new ATOM 0 HE ARG A 121 4.109 12.096 8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.562 10.931 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.320 12.518 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.088 14.131 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.489 14.321 7.562 1.00 0.00 H new ATOM 1923 N ASP A 122 4.323 5.915 6.593 1.00 0.00 N ATOM 1924 CA ASP A 122 4.602 4.507 6.337 1.00 0.00 C ATOM 1925 C ASP A 122 3.953 3.623 7.398 1.00 0.00 C ATOM 1926 O ASP A 122 4.346 3.645 8.564 1.00 0.00 O ATOM 1927 CB ASP A 122 6.112 4.262 6.305 1.00 0.00 C ATOM 1928 CG ASP A 122 6.742 4.349 7.681 1.00 0.00 C ATOM 1929 OD1 ASP A 122 6.821 5.469 8.227 1.00 0.00 O ATOM 1930 OD2 ASP A 122 7.156 3.297 8.212 1.00 0.00 O ATOM 0 H ASP A 122 5.133 6.458 6.892 1.00 0.00 H new ATOM 0 HA ASP A 122 4.179 4.249 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.308 3.278 5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.582 4.993 5.647 1.00 0.00 H new ATOM 1935 N GLY A 123 2.956 2.846 6.985 1.00 0.00 N ATOM 1936 CA GLY A 123 2.268 1.967 7.912 1.00 0.00 C ATOM 1937 C GLY A 123 0.921 2.515 8.339 1.00 0.00 C ATOM 1938 O GLY A 123 0.410 2.164 9.402 1.00 0.00 O ATOM 0 H GLY A 123 2.613 2.810 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 123 2.129 0.991 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.891 1.814 8.793 1.00 0.00 H new ATOM 1942 N GLN A 124 0.345 3.378 7.508 1.00 0.00 N ATOM 1943 CA GLN A 124 -0.951 3.977 7.808 1.00 0.00 C ATOM 1944 C GLN A 124 -2.076 3.210 7.121 1.00 0.00 C ATOM 1945 O GLN A 124 -1.906 2.699 6.015 1.00 0.00 O ATOM 1946 CB GLN A 124 -0.973 5.442 7.368 1.00 0.00 C ATOM 1947 CG GLN A 124 -1.892 6.315 8.206 1.00 0.00 C ATOM 1948 CD GLN A 124 -1.370 6.528 9.614 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -0.549 7.413 9.856 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -1.845 5.717 10.551 1.00 0.00 N ATOM 0 H GLN A 124 0.754 3.678 6.623 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.107 3.927 8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 124 0.039 5.843 7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.286 5.495 6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.014 7.282 7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.879 5.856 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.525 4.997 10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.531 5.814 11.516 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.225 3.135 7.785 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.378 2.429 7.239 1.00 0.00 C ATOM 1961 C GLU A 125 -5.267 3.377 6.439 1.00 0.00 C ATOM 1962 O GLU A 125 -5.315 4.578 6.708 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.188 1.781 8.363 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.091 2.754 9.102 1.00 0.00 C ATOM 1965 CD GLU A 125 -5.365 3.506 10.201 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -5.307 2.988 11.336 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -4.855 4.612 9.925 1.00 0.00 O ATOM 0 H GLU A 125 -3.382 3.554 8.701 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.011 1.650 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.797 0.979 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.502 1.322 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -6.507 3.469 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.930 2.209 9.534 1.00 0.00 H new ATOM 1974 N LEU A 126 -5.969 2.830 5.453 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.857 3.625 4.612 1.00 0.00 C ATOM 1976 C LEU A 126 -8.266 3.042 4.602 1.00 0.00 C ATOM 1977 O LEU A 126 -8.444 1.828 4.508 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.312 3.696 3.184 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.890 4.800 2.299 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.613 6.168 2.902 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.317 4.710 0.892 1.00 0.00 C ATOM 0 H LEU A 126 -5.941 1.838 5.216 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.904 4.632 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.231 3.828 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.494 2.737 2.699 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.970 4.664 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -7.032 6.941 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.071 6.230 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.537 6.315 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.740 5.504 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.233 4.820 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.567 3.742 0.458 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.264 3.915 4.699 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.657 3.485 4.699 1.00 0.00 C ATOM 1995 C GLU A 127 -11.022 2.819 3.376 1.00 0.00 C ATOM 1996 O GLU A 127 -10.468 3.132 2.321 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.581 4.677 4.955 1.00 0.00 C ATOM 1998 CG GLU A 127 -11.552 5.174 6.391 1.00 0.00 C ATOM 1999 CD GLU A 127 -10.396 6.117 6.658 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -9.237 5.715 6.425 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -10.649 7.257 7.101 1.00 0.00 O ATOM 0 H GLU A 127 -9.134 4.923 4.779 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.785 2.756 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.298 5.494 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -12.602 4.396 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.490 5.682 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.483 4.321 7.066 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.976 1.878 3.431 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.436 1.148 2.246 1.00 0.00 C ATOM 2010 C PRO A 128 -13.228 2.034 1.290 1.00 0.00 C ATOM 2011 O PRO A 128 -13.496 1.650 0.152 1.00 0.00 O ATOM 2012 CB PRO A 128 -13.334 0.055 2.830 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.805 0.606 4.131 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.679 1.455 4.653 1.00 0.00 C ATOM 0 HA PRO A 128 -11.604 0.765 1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -14.171 -0.166 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.784 -0.876 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.711 1.197 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -14.046 -0.195 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -13.049 2.309 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -12.025 0.891 5.318 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.599 3.220 1.761 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.360 4.160 0.946 1.00 0.00 C ATOM 2024 C GLN A 129 -13.433 5.004 0.078 1.00 0.00 C ATOM 2025 O GLN A 129 -13.612 5.091 -1.137 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.209 5.068 1.838 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.491 5.545 1.175 1.00 0.00 C ATOM 2028 CD GLN A 129 -16.303 6.836 0.402 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -16.282 6.736 -0.922 1.00 0.00 O flip ATOM 2030 NE2 GLN A 129 -16.178 7.912 0.989 1.00 0.00 N flip ATOM 0 H GLN A 129 -13.385 3.553 2.701 1.00 0.00 H new ATOM 0 HA GLN A 129 -15.017 3.586 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.461 4.532 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.616 5.935 2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.856 4.771 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.257 5.690 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.200 7.942 2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.052 8.772 0.456 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.441 5.624 0.709 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.485 6.461 -0.007 1.00 0.00 C ATOM 2041 C VAL A 130 -10.359 5.622 -0.602 1.00 0.00 C ATOM 2042 O VAL A 130 -9.689 6.043 -1.544 1.00 0.00 O ATOM 2043 CB VAL A 130 -10.878 7.534 0.916 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -11.976 8.315 1.622 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -9.933 6.897 1.924 1.00 0.00 C ATOM 0 H VAL A 130 -12.278 5.563 1.714 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.033 6.952 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.305 8.231 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.528 9.068 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.609 8.803 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.579 7.633 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.513 7.670 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.481 6.177 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.127 6.388 1.396 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.156 4.432 -0.045 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.111 3.552 -0.534 1.00 0.00 C ATOM 2057 C GLY A 131 -9.530 2.787 -1.773 1.00 0.00 C ATOM 2058 O GLY A 131 -8.688 2.385 -2.576 1.00 0.00 O ATOM 0 H GLY A 131 -10.697 4.062 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.221 4.140 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.838 2.846 0.250 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.834 2.583 -1.928 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.362 1.858 -3.078 1.00 0.00 C ATOM 2064 C GLU A 132 -11.467 2.771 -4.296 1.00 0.00 C ATOM 2065 O GLU A 132 -11.058 2.403 -5.397 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.735 1.267 -2.750 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.868 2.276 -2.833 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.217 1.666 -2.507 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.311 0.943 -1.493 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -16.178 1.911 -3.265 1.00 0.00 O ATOM 0 H GLU A 132 -11.544 2.909 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.672 1.047 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.941 0.445 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.709 0.845 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.669 3.098 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.898 2.701 -3.836 1.00 0.00 H new ATOM 2077 N GLN A 133 -12.019 3.962 -4.089 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.179 4.927 -5.170 1.00 0.00 C ATOM 2079 C GLN A 133 -10.843 5.568 -5.530 1.00 0.00 C ATOM 2080 O GLN A 133 -10.732 6.276 -6.532 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.186 6.008 -4.772 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.806 6.756 -3.504 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.999 7.405 -2.829 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.148 7.118 -3.165 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.731 8.286 -1.872 1.00 0.00 N ATOM 0 H GLN A 133 -12.363 4.282 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.554 4.396 -6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.282 6.722 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.164 5.548 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.331 6.065 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -12.069 7.522 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.763 8.493 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -14.493 8.755 -1.383 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.831 5.315 -4.708 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.501 5.868 -4.940 1.00 0.00 C ATOM 2096 C LEU A 134 -7.748 5.055 -5.988 1.00 0.00 C ATOM 2097 O LEU A 134 -6.973 5.600 -6.774 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.705 5.898 -3.634 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.186 5.994 -3.776 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.781 7.377 -4.263 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.505 5.672 -2.453 1.00 0.00 C ATOM 0 H LEU A 134 -9.906 4.731 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.618 6.886 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.049 6.746 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.941 4.997 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.863 5.262 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.696 7.426 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.239 7.570 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.117 8.128 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.424 5.745 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.835 6.380 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.768 4.660 -2.145 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.984 3.747 -5.996 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.330 2.858 -6.950 1.00 0.00 C ATOM 2115 C LEU A 135 -7.936 3.011 -8.341 1.00 0.00 C ATOM 2116 O LEU A 135 -7.217 3.173 -9.326 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.450 1.405 -6.487 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.918 1.101 -5.085 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -7.073 -0.378 -4.765 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.462 1.525 -4.964 1.00 0.00 C ATOM 0 H LEU A 135 -8.623 3.279 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.276 3.132 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.501 1.118 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.921 0.773 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.503 1.671 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.689 -0.576 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.127 -0.652 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.514 -0.968 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.100 1.301 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.863 0.982 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.378 2.596 -5.150 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.262 2.962 -8.412 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.964 3.097 -9.683 1.00 0.00 C ATOM 2134 C GLN A 136 -9.372 4.231 -10.514 1.00 0.00 C ATOM 2135 O GLN A 136 -9.517 4.260 -11.737 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.453 3.350 -9.443 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.730 4.526 -8.520 1.00 0.00 C ATOM 2138 CD GLN A 136 -13.211 4.734 -8.269 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -13.918 3.814 -7.857 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.688 5.948 -8.516 1.00 0.00 N ATOM 0 H GLN A 136 -9.872 2.830 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.845 2.165 -10.235 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.942 3.528 -10.401 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.902 2.452 -9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.223 4.364 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.308 5.432 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -13.066 6.681 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.677 6.148 -8.365 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.704 5.163 -9.843 1.00 0.00 N ATOM 2150 CA LEU A 137 -8.089 6.300 -10.519 1.00 0.00 C ATOM 2151 C LEU A 137 -7.143 5.832 -11.621 1.00 0.00 C ATOM 2152 O LEU A 137 -7.155 6.365 -12.730 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.330 7.167 -9.514 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.179 8.129 -8.681 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.342 8.767 -7.584 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.801 9.197 -9.569 1.00 0.00 C ATOM 0 H LEU A 137 -8.574 5.154 -8.831 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.882 6.893 -10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.788 6.510 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.584 7.749 -10.056 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.983 7.561 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.963 9.448 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.945 7.990 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.517 9.321 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.401 9.872 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.012 9.761 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.436 8.723 -10.318 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.327 4.833 -11.307 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.376 4.291 -12.271 1.00 0.00 C ATOM 2170 C TRP A 138 -6.079 3.894 -13.565 1.00 0.00 C ATOM 2171 O TRP A 138 -5.477 3.908 -14.637 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.650 3.083 -11.679 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.384 3.443 -10.963 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.123 3.462 -11.487 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.256 3.833 -9.591 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.219 3.841 -10.524 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.889 4.075 -9.353 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.163 4.004 -8.542 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.410 4.477 -8.109 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.686 4.402 -7.308 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.321 4.636 -7.099 1.00 0.00 C ATOM 0 H TRP A 138 -6.304 4.382 -10.393 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.646 5.068 -12.500 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.318 2.571 -10.986 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.419 2.379 -12.479 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.873 3.215 -12.508 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.212 3.933 -10.659 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.218 3.828 -8.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.358 4.657 -7.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.378 4.535 -6.490 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -1.980 4.948 -6.123 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.356 3.540 -13.455 1.00 0.00 N ATOM 2193 CA GLU A 139 -8.139 3.139 -14.618 1.00 0.00 C ATOM 2194 C GLU A 139 -8.491 4.347 -15.481 1.00 0.00 C ATOM 2195 O GLU A 139 -8.756 4.214 -16.675 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.418 2.423 -14.177 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.197 1.414 -13.063 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.392 0.504 -12.855 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.536 0.984 -12.996 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.182 -0.690 -12.552 1.00 0.00 O ATOM 0 H GLU A 139 -7.869 3.523 -12.574 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.534 2.454 -15.212 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.144 3.165 -13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.854 1.913 -15.036 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.320 0.809 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.983 1.944 -12.135 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.491 5.526 -14.866 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.813 6.758 -15.576 1.00 0.00 C ATOM 2209 C ARG A 140 -7.643 7.202 -16.450 1.00 0.00 C ATOM 2210 O ARG A 140 -7.813 7.992 -17.380 1.00 0.00 O ATOM 2211 CB ARG A 140 -9.172 7.865 -14.584 1.00 0.00 C ATOM 2212 CG ARG A 140 -10.346 7.518 -13.683 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.941 8.761 -13.041 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.999 8.432 -12.089 1.00 0.00 N ATOM 2215 CZ ARG A 140 -12.772 9.341 -11.505 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.606 10.628 -11.776 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -13.713 8.963 -10.650 1.00 0.00 N ATOM 0 H ARG A 140 -8.272 5.653 -13.878 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.672 6.564 -16.219 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.302 8.083 -13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.406 8.775 -15.137 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -11.112 7.005 -14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -10.018 6.827 -12.906 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.155 9.317 -12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -11.341 9.414 -13.817 1.00 0.00 H new ATOM 0 HE ARG A 140 -12.153 7.450 -11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.884 10.922 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.200 11.325 -11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.844 7.973 -10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.306 9.662 -10.202 1.00 0.00 H new ATOM 2231 N LEU A 141 -6.455 6.691 -16.144 1.00 0.00 N ATOM 2232 CA LEU A 141 -5.256 7.036 -16.900 1.00 0.00 C ATOM 2233 C LEU A 141 -5.316 6.454 -18.309 1.00 0.00 C ATOM 2234 O LEU A 141 -4.284 6.213 -18.936 1.00 0.00 O ATOM 2235 CB LEU A 141 -4.009 6.524 -16.177 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.920 6.844 -14.684 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.644 6.268 -14.090 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.987 8.347 -14.456 1.00 0.00 C ATOM 0 H LEU A 141 -6.297 6.037 -15.378 1.00 0.00 H new ATOM 0 HA LEU A 141 -5.204 8.122 -16.977 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.961 5.442 -16.300 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -3.131 6.940 -16.670 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.770 6.383 -14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.598 6.506 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.638 5.186 -14.221 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.780 6.699 -14.596 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.922 8.556 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -3.157 8.831 -14.971 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.930 8.732 -14.845 1.00 0.00 H new TER 2250 LEU A 141