USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 78 LYS NZ :NH3+ -170:sc= 1.01 (180deg=-0.0679) USER MOD Set 1.2: A 86 THR OG1 : rot -49:sc= -1.17 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -2.08 F(o=-7.2!,f=-2.9) USER MOD Set 2.2: A 90 SER OG : rot -130:sc= -0.785! USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.249 F(o=-3.2!,f=-0.83) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -133:sc= -0.577 (180deg=-2.25!) USER MOD Set 4.1: A 33 ASN : amide:sc= 0.0812 K(o=0.63,f=-6.9!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ -148:sc= 0.55 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot -43:sc= -0.0761 USER MOD Set 5.2: A 38 ASN : amide:sc= -6.77! C(o=-6.8!,f=-8.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.84 USER MOD Single : A 21 SER OG : rot -171:sc= -4.6! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 137:sc= -0.259 (180deg=-2.44!) USER MOD Single : A 39 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.0024) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 38:sc= 1.09 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0908 F(o=-0.93,f=-0.091) USER MOD Single : A 56 SER OG : rot -160:sc= -0.56 USER MOD Single : A 64 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.98) USER MOD Single : A 66 GLN :FLIP amide:sc= -7.97! C(o=-8.8!,f=-8!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.985 USER MOD Single : A 80 ASN : amide:sc= -3.61 X(o=-3.6,f=-3.3!) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.07 F(o=-2.8,f=-1.1) USER MOD Single : A 84 MET CE :methyl -111:sc= -6.7! (180deg=-10.8!) USER MOD Single : A 91 MET CE :methyl 174:sc= -4.96! (180deg=-5.32!) USER MOD Single : A 92 SER OG : rot -2:sc= -2.28 USER MOD Single : A 93 THR OG1 : rot -63:sc= -0.739 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.33! C(o=-7.6!,f=-4.3!) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.169) USER MOD Single : A 100 MET CE :methyl -163:sc= -5.65 (180deg=-7.45!) USER MOD Single : A 102 GLN : amide:sc= -3.11! C(o=-3.1!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 9 -2.414 -9.504 -12.032 1.00 0.00 N ATOM 23 CA ARG A 9 -1.959 -8.423 -11.162 1.00 0.00 C ATOM 24 C ARG A 9 -1.477 -7.232 -11.986 1.00 0.00 C ATOM 25 O ARG A 9 -0.831 -7.403 -13.019 1.00 0.00 O ATOM 26 CB ARG A 9 -0.835 -8.914 -10.250 1.00 0.00 C ATOM 27 CG ARG A 9 -1.304 -9.865 -9.162 1.00 0.00 C ATOM 28 CD ARG A 9 -0.237 -10.069 -8.097 1.00 0.00 C ATOM 29 NE ARG A 9 0.453 -11.348 -8.249 1.00 0.00 N ATOM 30 CZ ARG A 9 1.478 -11.547 -9.074 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.943 -10.554 -9.821 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.043 -12.744 -9.150 1.00 0.00 N ATOM 0 HA ARG A 9 -2.801 -8.103 -10.548 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.079 -9.413 -10.856 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.354 -8.053 -9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.209 -9.472 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.564 -10.826 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.489 -9.257 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.697 -10.020 -7.110 1.00 0.00 H new ATOM 0 HE ARG A 9 0.129 -12.136 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.514 -9.630 -9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.729 -10.715 -10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.692 -13.511 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.829 -12.898 -9.782 1.00 0.00 H new ATOM 46 N GLU A 10 -1.799 -6.026 -11.527 1.00 0.00 N ATOM 47 CA GLU A 10 -1.397 -4.811 -12.229 1.00 0.00 C ATOM 48 C GLU A 10 -0.642 -3.862 -11.303 1.00 0.00 C ATOM 49 O GLU A 10 -0.836 -3.877 -10.088 1.00 0.00 O ATOM 50 CB GLU A 10 -2.624 -4.106 -12.809 1.00 0.00 C ATOM 51 CG GLU A 10 -3.649 -3.708 -11.759 1.00 0.00 C ATOM 52 CD GLU A 10 -4.805 -2.919 -12.343 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.614 -2.275 -13.396 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.903 -2.946 -11.747 1.00 0.00 O ATOM 0 H GLU A 10 -2.335 -5.864 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.729 -5.098 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.301 -3.214 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.099 -4.762 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.034 -4.605 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.161 -3.113 -10.987 1.00 0.00 H new ATOM 61 N PHE A 11 0.216 -3.032 -11.891 1.00 0.00 N ATOM 62 CA PHE A 11 0.999 -2.069 -11.126 1.00 0.00 C ATOM 63 C PHE A 11 0.494 -0.650 -11.369 1.00 0.00 C ATOM 64 O PHE A 11 0.035 -0.326 -12.465 1.00 0.00 O ATOM 65 CB PHE A 11 2.479 -2.168 -11.502 1.00 0.00 C ATOM 66 CG PHE A 11 3.203 -3.286 -10.808 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.963 -4.605 -11.156 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.124 -3.017 -9.809 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.629 -5.637 -10.521 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.793 -4.043 -9.169 1.00 0.00 C ATOM 71 CZ PHE A 11 4.545 -5.354 -9.526 1.00 0.00 C ATOM 0 H PHE A 11 0.386 -3.008 -12.896 1.00 0.00 H new ATOM 0 HA PHE A 11 0.886 -2.302 -10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.563 -2.306 -12.580 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.970 -1.225 -11.262 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.247 -4.830 -11.933 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.322 -1.993 -9.527 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.434 -6.661 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.508 -3.820 -8.391 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.067 -6.158 -9.028 1.00 0.00 H new ATOM 81 N LEU A 12 0.579 0.192 -10.344 1.00 0.00 N ATOM 82 CA LEU A 12 0.125 1.573 -10.458 1.00 0.00 C ATOM 83 C LEU A 12 1.080 2.532 -9.751 1.00 0.00 C ATOM 84 O LEU A 12 1.592 2.233 -8.673 1.00 0.00 O ATOM 85 CB LEU A 12 -1.281 1.722 -9.870 1.00 0.00 C ATOM 86 CG LEU A 12 -2.240 0.569 -10.174 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.260 0.415 -9.057 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.937 0.794 -11.507 1.00 0.00 C ATOM 0 H LEU A 12 0.956 -0.056 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 12 0.104 1.827 -11.518 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.196 1.827 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.719 2.646 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.661 -0.352 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.934 -0.410 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.744 0.208 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.834 1.336 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.615 -0.035 -11.707 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.503 1.725 -11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.193 0.854 -12.301 1.00 0.00 H new ATOM 100 N THR A 13 1.305 3.688 -10.368 1.00 0.00 N ATOM 101 CA THR A 13 2.188 4.704 -9.803 1.00 0.00 C ATOM 102 C THR A 13 1.383 5.924 -9.372 1.00 0.00 C ATOM 103 O THR A 13 0.437 6.321 -10.052 1.00 0.00 O ATOM 104 CB THR A 13 3.248 5.115 -10.825 1.00 0.00 C ATOM 105 OG1 THR A 13 3.872 3.975 -11.389 1.00 0.00 O ATOM 106 CG2 THR A 13 4.335 5.993 -10.241 1.00 0.00 C ATOM 0 H THR A 13 0.887 3.945 -11.262 1.00 0.00 H new ATOM 0 HA THR A 13 2.685 4.282 -8.930 1.00 0.00 H new ATOM 0 HB THR A 13 2.711 5.685 -11.583 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.545 4.260 -12.041 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.054 6.248 -11.019 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.891 6.906 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.843 5.458 -9.439 1.00 0.00 H new ATOM 114 N PHE A 14 1.751 6.514 -8.238 1.00 0.00 N ATOM 115 CA PHE A 14 1.037 7.682 -7.733 1.00 0.00 C ATOM 116 C PHE A 14 1.990 8.768 -7.240 1.00 0.00 C ATOM 117 O PHE A 14 2.890 8.509 -6.442 1.00 0.00 O ATOM 118 CB PHE A 14 0.094 7.274 -6.600 1.00 0.00 C ATOM 119 CG PHE A 14 -0.852 6.169 -6.972 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.547 6.206 -8.169 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.047 5.091 -6.121 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.419 5.191 -8.513 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.918 4.073 -6.459 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.605 4.121 -7.656 1.00 0.00 C ATOM 0 H PHE A 14 2.531 6.207 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 14 0.462 8.093 -8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.687 6.959 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.483 8.145 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.406 7.039 -8.842 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.512 5.047 -5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.955 5.233 -9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.062 3.240 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.285 3.326 -7.922 1.00 0.00 H new ATOM 134 N GLU A 15 1.761 9.994 -7.708 1.00 0.00 N ATOM 135 CA GLU A 15 2.569 11.141 -7.308 1.00 0.00 C ATOM 136 C GLU A 15 1.834 11.925 -6.228 1.00 0.00 C ATOM 137 O GLU A 15 0.860 12.623 -6.509 1.00 0.00 O ATOM 138 CB GLU A 15 2.848 12.040 -8.514 1.00 0.00 C ATOM 139 CG GLU A 15 3.475 11.303 -9.687 1.00 0.00 C ATOM 140 CD GLU A 15 2.533 11.174 -10.868 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.367 10.777 -10.655 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.959 11.471 -12.004 1.00 0.00 O ATOM 0 H GLU A 15 1.017 10.217 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 15 3.522 10.788 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.914 12.498 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.510 12.850 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.376 11.830 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.783 10.309 -9.363 1.00 0.00 H new ATOM 149 N VAL A 16 2.285 11.783 -4.986 1.00 0.00 N ATOM 150 CA VAL A 16 1.642 12.455 -3.861 1.00 0.00 C ATOM 151 C VAL A 16 2.428 13.681 -3.394 1.00 0.00 C ATOM 152 O VAL A 16 3.477 13.550 -2.764 1.00 0.00 O ATOM 153 CB VAL A 16 1.455 11.497 -2.666 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.146 11.795 -1.947 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.497 10.044 -3.117 1.00 0.00 C ATOM 0 H VAL A 16 3.090 11.211 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 16 0.667 12.782 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 16 2.280 11.657 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.029 11.111 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.158 12.821 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.687 11.666 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.363 9.391 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.699 9.863 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.460 9.835 -3.583 1.00 0.00 H new ATOM 165 N PRO A 17 1.926 14.896 -3.697 1.00 0.00 N ATOM 166 CA PRO A 17 2.578 16.147 -3.304 1.00 0.00 C ATOM 167 C PRO A 17 2.345 16.492 -1.836 1.00 0.00 C ATOM 168 O PRO A 17 1.318 17.071 -1.485 1.00 0.00 O ATOM 169 CB PRO A 17 1.919 17.206 -4.207 1.00 0.00 C ATOM 170 CG PRO A 17 0.990 16.465 -5.114 1.00 0.00 C ATOM 171 CD PRO A 17 0.692 15.156 -4.441 1.00 0.00 C ATOM 0 HA PRO A 17 3.660 16.084 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.377 17.941 -3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.670 17.750 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.075 17.033 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.447 16.304 -6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.173 15.226 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.479 14.367 -5.163 1.00 0.00 H new ATOM 179 N LEU A 18 3.310 16.151 -0.980 1.00 0.00 N ATOM 180 CA LEU A 18 3.199 16.443 0.447 1.00 0.00 C ATOM 181 C LEU A 18 3.769 17.819 0.769 1.00 0.00 C ATOM 182 O LEU A 18 4.170 18.095 1.900 1.00 0.00 O ATOM 183 CB LEU A 18 3.914 15.378 1.270 1.00 0.00 C ATOM 184 CG LEU A 18 5.433 15.450 1.216 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.983 16.132 2.464 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.025 14.058 1.060 1.00 0.00 C ATOM 0 H LEU A 18 4.171 15.675 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 18 2.140 16.438 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.596 15.466 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.597 14.395 0.922 1.00 0.00 H new ATOM 0 HG LEU A 18 5.720 16.045 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.071 16.174 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.584 17.144 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.688 15.566 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.112 14.127 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.729 13.440 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.658 13.608 0.137 1.00 0.00 H new ATOM 198 N ASN A 19 3.787 18.673 -0.242 1.00 0.00 N ATOM 199 CA ASN A 19 4.288 20.036 -0.123 1.00 0.00 C ATOM 200 C ASN A 19 3.896 20.682 1.209 1.00 0.00 C ATOM 201 O ASN A 19 4.611 21.541 1.726 1.00 0.00 O ATOM 202 CB ASN A 19 3.749 20.870 -1.287 1.00 0.00 C ATOM 203 CG ASN A 19 2.281 21.247 -1.123 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.439 20.272 -0.768 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.905 22.403 -1.311 1.00 0.00 N flip ATOM 0 H ASN A 19 3.452 18.439 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 19 5.377 20.000 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.343 21.779 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.873 20.311 -2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.578 23.121 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.921 22.644 -1.197 1.00 0.00 H new ATOM 212 N ASP A 20 2.758 20.267 1.758 1.00 0.00 N ATOM 213 CA ASP A 20 2.281 20.814 3.023 1.00 0.00 C ATOM 214 C ASP A 20 1.548 19.755 3.843 1.00 0.00 C ATOM 215 O ASP A 20 0.747 20.082 4.719 1.00 0.00 O ATOM 216 CB ASP A 20 1.358 22.007 2.770 1.00 0.00 C ATOM 217 CG ASP A 20 0.157 21.637 1.924 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.653 20.798 2.375 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.022 22.187 0.810 1.00 0.00 O ATOM 0 H ASP A 20 2.152 19.557 1.348 1.00 0.00 H new ATOM 0 HA ASP A 20 3.150 21.145 3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.017 22.408 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.919 22.799 2.273 1.00 0.00 H new ATOM 224 N SER A 21 1.828 18.487 3.560 1.00 0.00 N ATOM 225 CA SER A 21 1.195 17.387 4.281 1.00 0.00 C ATOM 226 C SER A 21 2.217 16.611 5.110 1.00 0.00 C ATOM 227 O SER A 21 1.851 15.769 5.931 1.00 0.00 O ATOM 228 CB SER A 21 0.487 16.447 3.305 1.00 0.00 C ATOM 229 OG SER A 21 1.419 15.666 2.582 1.00 0.00 O ATOM 0 H SER A 21 2.487 18.195 2.838 1.00 0.00 H new ATOM 0 HA SER A 21 0.457 17.813 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.192 15.794 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.120 17.028 2.611 1.00 0.00 H new ATOM 0 HG SER A 21 0.955 15.179 1.869 1.00 0.00 H new ATOM 235 N GLY A 22 3.500 16.898 4.894 1.00 0.00 N ATOM 236 CA GLY A 22 4.549 16.218 5.632 1.00 0.00 C ATOM 237 C GLY A 22 4.370 16.326 7.134 1.00 0.00 C ATOM 238 O GLY A 22 4.804 15.450 7.882 1.00 0.00 O ATOM 0 H GLY A 22 3.830 17.590 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.566 15.166 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.515 16.639 5.354 1.00 0.00 H new ATOM 242 N SER A 23 3.723 17.401 7.577 1.00 0.00 N ATOM 243 CA SER A 23 3.484 17.616 9.000 1.00 0.00 C ATOM 244 C SER A 23 2.764 16.418 9.611 1.00 0.00 C ATOM 245 O SER A 23 3.112 15.956 10.698 1.00 0.00 O ATOM 246 CB SER A 23 2.659 18.886 9.216 1.00 0.00 C ATOM 247 OG SER A 23 3.059 19.561 10.395 1.00 0.00 O ATOM 0 H SER A 23 3.356 18.135 6.972 1.00 0.00 H new ATOM 0 HA SER A 23 4.449 17.733 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.774 19.548 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.602 18.629 9.281 1.00 0.00 H new ATOM 0 HG SER A 23 2.517 20.370 10.509 1.00 0.00 H new ATOM 253 N ALA A 24 1.764 15.914 8.895 1.00 0.00 N ATOM 254 CA ALA A 24 0.997 14.764 9.353 1.00 0.00 C ATOM 255 C ALA A 24 1.601 13.467 8.825 1.00 0.00 C ATOM 256 O ALA A 24 1.450 12.407 9.431 1.00 0.00 O ATOM 257 CB ALA A 24 -0.454 14.890 8.914 1.00 0.00 C ATOM 0 H ALA A 24 1.466 16.286 7.993 1.00 0.00 H new ATOM 0 HA ALA A 24 1.033 14.739 10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.016 14.024 9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.885 15.797 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.502 14.940 7.826 1.00 0.00 H new ATOM 263 N GLY A 25 2.288 13.562 7.689 1.00 0.00 N ATOM 264 CA GLY A 25 2.908 12.395 7.092 1.00 0.00 C ATOM 265 C GLY A 25 2.251 11.996 5.788 1.00 0.00 C ATOM 266 O GLY A 25 1.890 10.835 5.596 1.00 0.00 O ATOM 0 H GLY A 25 2.426 14.430 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.964 12.598 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.856 11.561 7.792 1.00 0.00 H new ATOM 270 N LEU A 26 2.101 12.967 4.891 1.00 0.00 N ATOM 271 CA LEU A 26 1.491 12.741 3.581 1.00 0.00 C ATOM 272 C LEU A 26 -0.033 12.720 3.655 1.00 0.00 C ATOM 273 O LEU A 26 -0.704 13.422 2.898 1.00 0.00 O ATOM 274 CB LEU A 26 1.990 11.435 2.955 1.00 0.00 C ATOM 275 CG LEU A 26 1.714 11.296 1.456 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.293 12.477 0.697 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.285 9.991 0.928 1.00 0.00 C ATOM 0 H LEU A 26 2.397 13.930 5.050 1.00 0.00 H new ATOM 0 HA LEU A 26 1.792 13.578 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.064 11.356 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.524 10.598 3.475 1.00 0.00 H new ATOM 0 HG LEU A 26 0.635 11.285 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.088 12.362 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.837 13.399 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.371 12.519 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.079 9.909 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.362 9.972 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.824 9.154 1.452 1.00 0.00 H new ATOM 289 N GLY A 27 -0.579 11.907 4.556 1.00 0.00 N ATOM 290 CA GLY A 27 -2.014 11.816 4.681 1.00 0.00 C ATOM 291 C GLY A 27 -2.526 10.437 4.322 1.00 0.00 C ATOM 292 O GLY A 27 -3.443 10.299 3.516 1.00 0.00 O ATOM 0 H GLY A 27 -0.051 11.314 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.305 12.056 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.483 12.557 4.033 1.00 0.00 H new ATOM 296 N VAL A 28 -1.935 9.412 4.934 1.00 0.00 N ATOM 297 CA VAL A 28 -2.342 8.033 4.686 1.00 0.00 C ATOM 298 C VAL A 28 -1.772 7.088 5.741 1.00 0.00 C ATOM 299 O VAL A 28 -0.781 7.399 6.401 1.00 0.00 O ATOM 300 CB VAL A 28 -1.901 7.532 3.288 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.086 7.461 2.339 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.801 8.411 2.711 1.00 0.00 C ATOM 0 H VAL A 28 -1.173 9.512 5.605 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.431 8.030 4.734 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.499 6.526 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.751 7.107 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.831 6.773 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.527 8.452 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.512 8.035 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.165 9.434 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.063 8.395 3.375 1.00 0.00 H new ATOM 312 N SER A 29 -2.407 5.929 5.883 1.00 0.00 N ATOM 313 CA SER A 29 -1.972 4.922 6.842 1.00 0.00 C ATOM 314 C SER A 29 -2.082 3.532 6.225 1.00 0.00 C ATOM 315 O SER A 29 -3.096 3.198 5.616 1.00 0.00 O ATOM 316 CB SER A 29 -2.814 4.999 8.118 1.00 0.00 C ATOM 317 OG SER A 29 -2.045 4.661 9.259 1.00 0.00 O ATOM 0 H SER A 29 -3.230 5.664 5.342 1.00 0.00 H new ATOM 0 HA SER A 29 -0.931 5.114 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.216 6.006 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.666 4.323 8.037 1.00 0.00 H new ATOM 0 HG SER A 29 -2.606 4.720 10.061 1.00 0.00 H new ATOM 323 N VAL A 30 -1.034 2.728 6.373 1.00 0.00 N ATOM 324 CA VAL A 30 -1.030 1.383 5.810 1.00 0.00 C ATOM 325 C VAL A 30 -0.624 0.336 6.840 1.00 0.00 C ATOM 326 O VAL A 30 0.046 0.638 7.827 1.00 0.00 O ATOM 327 CB VAL A 30 -0.082 1.278 4.598 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.554 2.181 3.467 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.347 1.615 5.001 1.00 0.00 C ATOM 0 H VAL A 30 -0.183 2.982 6.874 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.053 1.188 5.488 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.098 0.249 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.128 2.092 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.556 1.883 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.573 3.215 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.999 1.535 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.385 2.632 5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.682 0.919 5.771 1.00 0.00 H new ATOM 339 N LYS A 31 -1.027 -0.904 6.580 1.00 0.00 N ATOM 340 CA LYS A 31 -0.702 -2.021 7.457 1.00 0.00 C ATOM 341 C LYS A 31 -0.160 -3.184 6.633 1.00 0.00 C ATOM 342 O LYS A 31 -0.372 -3.243 5.425 1.00 0.00 O ATOM 343 CB LYS A 31 -1.932 -2.455 8.267 1.00 0.00 C ATOM 344 CG LYS A 31 -2.920 -3.306 7.488 1.00 0.00 C ATOM 345 CD LYS A 31 -3.313 -2.636 6.184 1.00 0.00 C ATOM 346 CE LYS A 31 -4.589 -3.231 5.616 1.00 0.00 C ATOM 347 NZ LYS A 31 -5.360 -2.237 4.819 1.00 0.00 N ATOM 0 H LYS A 31 -1.582 -1.160 5.764 1.00 0.00 H new ATOM 0 HA LYS A 31 0.065 -1.701 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.599 -3.013 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.445 -1.566 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.479 -4.281 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.810 -3.480 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.451 -1.568 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.506 -2.745 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.342 -4.087 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.210 -3.603 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.709 -2.686 3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.167 -1.894 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.744 -1.436 4.573 1.00 0.00 H new ATOM 361 N GLY A 32 0.546 -4.099 7.285 1.00 0.00 N ATOM 362 CA GLY A 32 1.111 -5.233 6.576 1.00 0.00 C ATOM 363 C GLY A 32 0.536 -6.560 7.027 1.00 0.00 C ATOM 364 O GLY A 32 0.078 -6.696 8.161 1.00 0.00 O ATOM 0 H GLY A 32 0.737 -4.078 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.934 -5.111 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.191 -5.243 6.721 1.00 0.00 H new ATOM 368 N ASN A 33 0.568 -7.542 6.131 1.00 0.00 N ATOM 369 CA ASN A 33 0.052 -8.872 6.437 1.00 0.00 C ATOM 370 C ASN A 33 1.005 -9.949 5.931 1.00 0.00 C ATOM 371 O ASN A 33 1.998 -9.651 5.268 1.00 0.00 O ATOM 372 CB ASN A 33 -1.332 -9.065 5.812 1.00 0.00 C ATOM 373 CG ASN A 33 -2.447 -8.576 6.715 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.217 -9.370 7.258 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.540 -7.262 6.882 1.00 0.00 N ATOM 0 H ASN A 33 0.945 -7.442 5.189 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.033 -8.962 7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.377 -8.531 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.484 -10.122 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.270 -6.874 7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.881 -6.640 6.413 1.00 0.00 H new ATOM 382 N ARG A 34 0.698 -11.203 6.250 1.00 0.00 N ATOM 383 CA ARG A 34 1.530 -12.322 5.827 1.00 0.00 C ATOM 384 C ARG A 34 0.790 -13.209 4.829 1.00 0.00 C ATOM 385 O ARG A 34 -0.425 -13.098 4.668 1.00 0.00 O ATOM 386 CB ARG A 34 1.961 -13.152 7.038 1.00 0.00 C ATOM 387 CG ARG A 34 2.881 -12.405 7.992 1.00 0.00 C ATOM 388 CD ARG A 34 4.069 -13.256 8.408 1.00 0.00 C ATOM 389 NE ARG A 34 4.569 -12.889 9.729 1.00 0.00 N ATOM 390 CZ ARG A 34 5.787 -13.192 10.173 1.00 0.00 C ATOM 391 NH1 ARG A 34 6.633 -13.866 9.402 1.00 0.00 N ATOM 392 NH2 ARG A 34 6.161 -12.819 11.389 1.00 0.00 N ATOM 0 H ARG A 34 -0.120 -11.468 6.799 1.00 0.00 H new ATOM 0 HA ARG A 34 2.415 -11.915 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.073 -13.475 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.467 -14.053 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.237 -11.492 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.321 -12.104 8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.779 -14.307 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.868 -13.146 7.675 1.00 0.00 H new ATOM 0 HE ARG A 34 3.948 -12.369 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.351 -14.154 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.565 -14.096 9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.516 -12.300 11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.094 -13.051 11.729 1.00 0.00 H new ATOM 406 N SER A 35 1.534 -14.086 4.165 1.00 0.00 N ATOM 407 CA SER A 35 0.952 -14.996 3.184 1.00 0.00 C ATOM 408 C SER A 35 -0.120 -15.881 3.816 1.00 0.00 C ATOM 409 O SER A 35 -0.952 -16.456 3.116 1.00 0.00 O ATOM 410 CB SER A 35 2.044 -15.866 2.558 1.00 0.00 C ATOM 411 OG SER A 35 1.753 -16.153 1.201 1.00 0.00 O ATOM 0 H SER A 35 2.542 -14.187 4.288 1.00 0.00 H new ATOM 0 HA SER A 35 0.481 -14.394 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.004 -15.355 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.137 -16.797 3.118 1.00 0.00 H new ATOM 0 HG SER A 35 0.805 -16.384 1.112 1.00 0.00 H new ATOM 417 N LYS A 36 -0.093 -15.992 5.144 1.00 0.00 N ATOM 418 CA LYS A 36 -1.061 -16.814 5.866 1.00 0.00 C ATOM 419 C LYS A 36 -0.855 -18.297 5.564 1.00 0.00 C ATOM 420 O LYS A 36 -1.709 -19.128 5.869 1.00 0.00 O ATOM 421 CB LYS A 36 -2.489 -16.400 5.504 1.00 0.00 C ATOM 422 CG LYS A 36 -3.191 -15.615 6.600 1.00 0.00 C ATOM 423 CD LYS A 36 -3.944 -14.420 6.038 1.00 0.00 C ATOM 424 CE LYS A 36 -4.134 -13.336 7.089 1.00 0.00 C ATOM 425 NZ LYS A 36 -4.112 -11.971 6.492 1.00 0.00 N ATOM 0 H LYS A 36 0.589 -15.523 5.740 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.905 -16.656 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.465 -15.798 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.071 -17.293 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.886 -16.268 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.458 -15.273 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.398 -14.012 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.917 -14.743 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.082 -13.492 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.347 -13.416 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.709 -11.299 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.530 -11.978 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.082 -11.681 6.252 1.00 0.00 H new ATOM 439 N GLU A 37 0.287 -18.621 4.964 1.00 0.00 N ATOM 440 CA GLU A 37 0.608 -20.000 4.622 1.00 0.00 C ATOM 441 C GLU A 37 2.080 -20.298 4.892 1.00 0.00 C ATOM 442 O GLU A 37 2.420 -21.346 5.440 1.00 0.00 O ATOM 443 CB GLU A 37 0.282 -20.273 3.152 1.00 0.00 C ATOM 444 CG GLU A 37 0.527 -21.711 2.731 1.00 0.00 C ATOM 445 CD GLU A 37 -0.468 -22.191 1.692 1.00 0.00 C ATOM 446 OE1 GLU A 37 -0.397 -21.717 0.538 1.00 0.00 O ATOM 447 OE2 GLU A 37 -1.318 -23.040 2.032 1.00 0.00 O ATOM 0 H GLU A 37 1.005 -17.945 4.705 1.00 0.00 H new ATOM 0 HA GLU A 37 0.002 -20.654 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.763 -20.022 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.883 -19.613 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.537 -21.802 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.472 -22.357 3.607 1.00 0.00 H new ATOM 454 N ASN A 38 2.950 -19.368 4.505 1.00 0.00 N ATOM 455 CA ASN A 38 4.384 -19.531 4.709 1.00 0.00 C ATOM 456 C ASN A 38 4.973 -18.352 5.481 1.00 0.00 C ATOM 457 O ASN A 38 6.181 -18.124 5.456 1.00 0.00 O ATOM 458 CB ASN A 38 5.095 -19.686 3.362 1.00 0.00 C ATOM 459 CG ASN A 38 5.063 -18.414 2.535 1.00 0.00 C ATOM 460 OD1 ASN A 38 6.082 -17.741 2.372 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.892 -18.077 2.007 1.00 0.00 N ATOM 0 H ASN A 38 2.685 -18.495 4.049 1.00 0.00 H new ATOM 0 HA ASN A 38 4.538 -20.433 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.131 -19.977 3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.626 -20.493 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.812 -17.232 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.073 -18.663 2.167 1.00 0.00 H new ATOM 468 N HIS A 39 4.111 -17.604 6.170 1.00 0.00 N ATOM 469 CA HIS A 39 4.552 -16.451 6.949 1.00 0.00 C ATOM 470 C HIS A 39 5.329 -15.464 6.081 1.00 0.00 C ATOM 471 O HIS A 39 6.287 -14.840 6.539 1.00 0.00 O ATOM 472 CB HIS A 39 5.420 -16.906 8.124 1.00 0.00 C ATOM 473 CG HIS A 39 4.636 -17.215 9.362 1.00 0.00 C ATOM 474 ND1 HIS A 39 4.418 -18.500 9.814 1.00 0.00 N ATOM 475 CD2 HIS A 39 4.015 -16.397 10.246 1.00 0.00 C ATOM 476 CE1 HIS A 39 3.698 -18.459 10.921 1.00 0.00 C ATOM 477 NE2 HIS A 39 3.441 -17.195 11.204 1.00 0.00 N ATOM 0 H HIS A 39 3.106 -17.777 6.204 1.00 0.00 H new ATOM 0 HA HIS A 39 3.665 -15.946 7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.982 -17.792 7.829 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.149 -16.127 8.350 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.979 -15.318 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.375 -19.314 11.497 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.903 -16.865 12.005 1.00 0.00 H new ATOM 486 N ALA A 40 4.908 -15.326 4.829 1.00 0.00 N ATOM 487 CA ALA A 40 5.565 -14.415 3.899 1.00 0.00 C ATOM 488 C ALA A 40 4.834 -13.077 3.836 1.00 0.00 C ATOM 489 O ALA A 40 3.724 -12.989 3.313 1.00 0.00 O ATOM 490 CB ALA A 40 5.647 -15.042 2.515 1.00 0.00 C ATOM 0 H ALA A 40 4.115 -15.833 4.435 1.00 0.00 H new ATOM 0 HA ALA A 40 6.577 -14.230 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.140 -14.351 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.218 -15.969 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.642 -15.256 2.152 1.00 0.00 H new ATOM 496 N ASP A 41 5.466 -12.038 4.371 1.00 0.00 N ATOM 497 CA ASP A 41 4.876 -10.703 4.375 1.00 0.00 C ATOM 498 C ASP A 41 4.570 -10.238 2.955 1.00 0.00 C ATOM 499 O ASP A 41 5.449 -9.741 2.251 1.00 0.00 O ATOM 500 CB ASP A 41 5.819 -9.710 5.057 1.00 0.00 C ATOM 501 CG ASP A 41 6.144 -10.106 6.483 1.00 0.00 C ATOM 502 OD1 ASP A 41 6.954 -11.036 6.672 1.00 0.00 O ATOM 503 OD2 ASP A 41 5.587 -9.482 7.413 1.00 0.00 O ATOM 0 H ASP A 41 6.386 -12.094 4.807 1.00 0.00 H new ATOM 0 HA ASP A 41 3.940 -10.748 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.743 -9.638 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.364 -8.720 5.053 1.00 0.00 H new ATOM 508 N LEU A 42 3.318 -10.404 2.539 1.00 0.00 N ATOM 509 CA LEU A 42 2.896 -10.001 1.202 1.00 0.00 C ATOM 510 C LEU A 42 3.175 -8.519 0.966 1.00 0.00 C ATOM 511 O LEU A 42 3.410 -8.094 -0.165 1.00 0.00 O ATOM 512 CB LEU A 42 1.406 -10.289 1.007 1.00 0.00 C ATOM 513 CG LEU A 42 0.973 -11.717 1.342 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.513 -11.898 1.081 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.785 -12.721 0.538 1.00 0.00 C ATOM 0 H LEU A 42 2.578 -10.815 3.109 1.00 0.00 H new ATOM 0 HA LEU A 42 3.469 -10.579 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.834 -9.598 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.144 -10.080 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 42 1.158 -11.895 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.803 -12.920 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.079 -11.202 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.724 -11.702 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.464 -13.732 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.631 -12.545 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.843 -12.607 0.775 1.00 0.00 H new ATOM 527 N GLY A 43 3.147 -7.739 2.041 1.00 0.00 N ATOM 528 CA GLY A 43 3.399 -6.314 1.929 1.00 0.00 C ATOM 529 C GLY A 43 2.432 -5.487 2.752 1.00 0.00 C ATOM 530 O GLY A 43 1.794 -5.999 3.675 1.00 0.00 O ATOM 0 H GLY A 43 2.954 -8.067 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.419 -6.102 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.327 -6.017 0.883 1.00 0.00 H new ATOM 534 N ILE A 44 2.321 -4.203 2.417 1.00 0.00 N ATOM 535 CA ILE A 44 1.423 -3.302 3.130 1.00 0.00 C ATOM 536 C ILE A 44 0.187 -2.991 2.289 1.00 0.00 C ATOM 537 O ILE A 44 0.181 -3.202 1.079 1.00 0.00 O ATOM 538 CB ILE A 44 2.115 -1.971 3.519 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.631 -2.069 3.353 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.772 -1.594 4.952 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.262 -3.165 4.187 1.00 0.00 C ATOM 0 H ILE A 44 2.842 -3.765 1.657 1.00 0.00 H new ATOM 0 HA ILE A 44 1.130 -3.818 4.044 1.00 0.00 H new ATOM 0 HB ILE A 44 1.747 -1.194 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.863 -2.244 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.080 -1.114 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.266 -0.657 5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.693 -1.474 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.111 -2.380 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.339 -3.176 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.061 -2.980 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.840 -4.129 3.901 1.00 0.00 H new ATOM 553 N PHE A 45 -0.858 -2.491 2.942 1.00 0.00 N ATOM 554 CA PHE A 45 -2.102 -2.152 2.256 1.00 0.00 C ATOM 555 C PHE A 45 -2.703 -0.879 2.837 1.00 0.00 C ATOM 556 O PHE A 45 -2.775 -0.716 4.054 1.00 0.00 O ATOM 557 CB PHE A 45 -3.105 -3.304 2.375 1.00 0.00 C ATOM 558 CG PHE A 45 -2.468 -4.665 2.330 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.803 -5.166 3.436 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.530 -5.437 1.181 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.212 -6.415 3.400 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.940 -6.686 1.139 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.280 -7.175 2.249 1.00 0.00 C ATOM 0 H PHE A 45 -0.869 -2.311 3.946 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.878 -1.984 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.655 -3.200 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.833 -3.226 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.745 -4.574 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.044 -5.059 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.698 -6.796 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.995 -7.279 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.818 -8.150 2.217 1.00 0.00 H new ATOM 573 N VAL A 46 -3.135 0.024 1.959 1.00 0.00 N ATOM 574 CA VAL A 46 -3.728 1.282 2.393 1.00 0.00 C ATOM 575 C VAL A 46 -4.848 1.041 3.399 1.00 0.00 C ATOM 576 O VAL A 46 -5.938 0.597 3.039 1.00 0.00 O ATOM 577 CB VAL A 46 -4.281 2.089 1.205 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.691 3.484 1.648 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.256 2.157 0.082 1.00 0.00 C ATOM 0 H VAL A 46 -3.085 -0.093 0.947 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.933 1.857 2.867 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.168 1.580 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.079 4.038 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.463 3.410 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.825 4.006 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.665 2.731 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.349 2.640 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.019 1.148 -0.256 1.00 0.00 H new ATOM 589 N LYS A 47 -4.563 1.330 4.661 1.00 0.00 N ATOM 590 CA LYS A 47 -5.528 1.145 5.734 1.00 0.00 C ATOM 591 C LYS A 47 -6.527 2.296 5.771 1.00 0.00 C ATOM 592 O LYS A 47 -7.722 2.090 5.978 1.00 0.00 O ATOM 593 CB LYS A 47 -4.798 1.035 7.076 1.00 0.00 C ATOM 594 CG LYS A 47 -5.722 1.016 8.281 1.00 0.00 C ATOM 595 CD LYS A 47 -6.562 -0.252 8.321 1.00 0.00 C ATOM 596 CE LYS A 47 -8.046 0.064 8.422 1.00 0.00 C ATOM 597 NZ LYS A 47 -8.891 -1.094 8.019 1.00 0.00 N ATOM 0 H LYS A 47 -3.662 1.697 4.968 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.079 0.223 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.197 0.126 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.108 1.874 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.132 1.091 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.377 1.887 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.375 -0.842 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.260 -0.862 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.287 0.350 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.278 0.920 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.895 -0.837 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.680 -1.351 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.689 -1.904 8.639 1.00 0.00 H new ATOM 611 N SER A 48 -6.028 3.510 5.567 1.00 0.00 N ATOM 612 CA SER A 48 -6.878 4.692 5.579 1.00 0.00 C ATOM 613 C SER A 48 -6.147 5.890 4.990 1.00 0.00 C ATOM 614 O SER A 48 -4.923 5.877 4.854 1.00 0.00 O ATOM 615 CB SER A 48 -7.331 5.008 7.006 1.00 0.00 C ATOM 616 OG SER A 48 -8.530 4.324 7.323 1.00 0.00 O ATOM 0 H SER A 48 -5.041 3.700 5.392 1.00 0.00 H new ATOM 0 HA SER A 48 -7.755 4.484 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.549 4.724 7.710 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.482 6.082 7.114 1.00 0.00 H new ATOM 0 HG SER A 48 -8.514 3.431 6.919 1.00 0.00 H new ATOM 622 N ILE A 49 -6.901 6.925 4.640 1.00 0.00 N ATOM 623 CA ILE A 49 -6.317 8.127 4.065 1.00 0.00 C ATOM 624 C ILE A 49 -6.782 9.373 4.805 1.00 0.00 C ATOM 625 O ILE A 49 -7.854 9.388 5.409 1.00 0.00 O ATOM 626 CB ILE A 49 -6.657 8.264 2.567 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.503 6.908 1.867 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.774 9.317 1.918 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.691 6.961 0.365 1.00 0.00 C ATOM 0 H ILE A 49 -7.915 6.955 4.744 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.236 8.032 4.170 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.693 8.586 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.512 6.510 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.226 6.210 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.026 9.402 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.934 10.278 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.728 9.028 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.566 5.962 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.692 7.327 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.951 7.632 -0.071 1.00 0.00 H new ATOM 641 N ILE A 50 -5.962 10.412 4.751 1.00 0.00 N ATOM 642 CA ILE A 50 -6.273 11.670 5.415 1.00 0.00 C ATOM 643 C ILE A 50 -6.729 12.713 4.400 1.00 0.00 C ATOM 644 O ILE A 50 -5.918 13.268 3.661 1.00 0.00 O ATOM 645 CB ILE A 50 -5.058 12.221 6.195 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.648 11.265 7.321 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.379 13.595 6.768 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.831 10.081 6.870 1.00 0.00 C ATOM 0 H ILE A 50 -5.072 10.409 4.252 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.077 11.468 6.123 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.222 12.310 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.077 11.822 8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.548 10.902 7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.515 13.972 7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.621 14.280 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.231 13.517 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.586 9.459 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.405 9.496 6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.911 10.431 6.401 1.00 0.00 H new ATOM 660 N ASN A 51 -8.032 12.973 4.375 1.00 0.00 N ATOM 661 CA ASN A 51 -8.604 13.951 3.453 1.00 0.00 C ATOM 662 C ASN A 51 -8.159 15.363 3.815 1.00 0.00 C ATOM 663 O ASN A 51 -8.947 16.165 4.318 1.00 0.00 O ATOM 664 CB ASN A 51 -10.135 13.878 3.465 1.00 0.00 C ATOM 665 CG ASN A 51 -10.659 12.475 3.719 1.00 0.00 C ATOM 666 OD1 ASN A 51 -10.850 12.140 4.990 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -10.887 11.706 2.786 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.714 12.520 4.983 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.244 13.712 2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.519 14.548 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.518 14.236 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.725 12.008 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.238 10.767 2.973 1.00 0.00 H new ATOM 674 N GLY A 52 -6.891 15.663 3.560 1.00 0.00 N ATOM 675 CA GLY A 52 -6.368 16.981 3.869 1.00 0.00 C ATOM 676 C GLY A 52 -5.009 17.239 3.249 1.00 0.00 C ATOM 677 O GLY A 52 -4.671 18.382 2.938 1.00 0.00 O ATOM 0 H GLY A 52 -6.217 15.019 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.071 17.736 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.295 17.092 4.951 1.00 0.00 H new ATOM 681 N GLY A 53 -4.221 16.183 3.070 1.00 0.00 N ATOM 682 CA GLY A 53 -2.901 16.338 2.488 1.00 0.00 C ATOM 683 C GLY A 53 -2.778 15.698 1.120 1.00 0.00 C ATOM 684 O GLY A 53 -3.773 15.307 0.511 1.00 0.00 O ATOM 0 H GLY A 53 -4.472 15.226 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.667 17.400 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.161 15.898 3.157 1.00 0.00 H new ATOM 688 N ALA A 54 -1.545 15.608 0.637 1.00 0.00 N ATOM 689 CA ALA A 54 -1.250 15.032 -0.671 1.00 0.00 C ATOM 690 C ALA A 54 -2.076 13.786 -0.974 1.00 0.00 C ATOM 691 O ALA A 54 -2.739 13.714 -2.004 1.00 0.00 O ATOM 692 CB ALA A 54 0.230 14.708 -0.762 1.00 0.00 C ATOM 0 H ALA A 54 -0.720 15.932 1.141 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.521 15.777 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.449 14.278 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.811 15.621 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.494 13.993 0.017 1.00 0.00 H new ATOM 698 N ALA A 55 -2.020 12.803 -0.088 1.00 0.00 N ATOM 699 CA ALA A 55 -2.759 11.559 -0.291 1.00 0.00 C ATOM 700 C ALA A 55 -4.230 11.830 -0.597 1.00 0.00 C ATOM 701 O ALA A 55 -4.873 11.078 -1.331 1.00 0.00 O ATOM 702 CB ALA A 55 -2.628 10.653 0.922 1.00 0.00 C ATOM 0 H ALA A 55 -1.475 12.838 0.774 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.324 11.053 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.186 9.732 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.577 10.415 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.027 11.161 1.800 1.00 0.00 H new ATOM 708 N SER A 56 -4.755 12.912 -0.041 1.00 0.00 N ATOM 709 CA SER A 56 -6.145 13.283 -0.266 1.00 0.00 C ATOM 710 C SER A 56 -6.308 13.943 -1.626 1.00 0.00 C ATOM 711 O SER A 56 -7.060 13.468 -2.476 1.00 0.00 O ATOM 712 CB SER A 56 -6.618 14.230 0.829 1.00 0.00 C ATOM 713 OG SER A 56 -7.888 14.777 0.519 1.00 0.00 O ATOM 0 H SER A 56 -4.241 13.548 0.568 1.00 0.00 H new ATOM 0 HA SER A 56 -6.752 12.378 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.671 13.696 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.894 15.034 0.956 1.00 0.00 H new ATOM 0 HG SER A 56 -8.030 15.593 1.043 1.00 0.00 H new ATOM 719 N LYS A 57 -5.593 15.043 -1.823 1.00 0.00 N ATOM 720 CA LYS A 57 -5.651 15.775 -3.085 1.00 0.00 C ATOM 721 C LYS A 57 -5.217 14.889 -4.250 1.00 0.00 C ATOM 722 O LYS A 57 -5.593 15.128 -5.399 1.00 0.00 O ATOM 723 CB LYS A 57 -4.782 17.039 -3.034 1.00 0.00 C ATOM 724 CG LYS A 57 -3.470 16.871 -2.284 1.00 0.00 C ATOM 725 CD LYS A 57 -3.292 17.956 -1.234 1.00 0.00 C ATOM 726 CE LYS A 57 -1.851 18.436 -1.161 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.392 18.606 0.245 1.00 0.00 N ATOM 0 H LYS A 57 -4.967 15.449 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.687 16.075 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.565 17.357 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.354 17.840 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.444 15.892 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.639 16.904 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.945 18.798 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.598 17.574 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.204 17.721 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.757 19.384 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.911 19.523 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.212 18.574 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.732 17.840 0.490 1.00 0.00 H new ATOM 741 N ASP A 58 -4.424 13.867 -3.947 1.00 0.00 N ATOM 742 CA ASP A 58 -3.938 12.941 -4.967 1.00 0.00 C ATOM 743 C ASP A 58 -5.099 12.316 -5.732 1.00 0.00 C ATOM 744 O ASP A 58 -5.114 12.309 -6.963 1.00 0.00 O ATOM 745 CB ASP A 58 -3.086 11.846 -4.324 1.00 0.00 C ATOM 746 CG ASP A 58 -1.623 11.953 -4.702 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.231 12.996 -5.265 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.869 10.994 -4.435 1.00 0.00 O ATOM 0 H ASP A 58 -4.103 13.658 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.325 13.503 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.183 11.904 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.466 10.870 -4.626 1.00 0.00 H new ATOM 753 N GLY A 59 -6.069 11.788 -4.992 1.00 0.00 N ATOM 754 CA GLY A 59 -7.220 11.165 -5.614 1.00 0.00 C ATOM 755 C GLY A 59 -6.843 9.970 -6.468 1.00 0.00 C ATOM 756 O GLY A 59 -7.478 9.703 -7.487 1.00 0.00 O ATOM 0 H GLY A 59 -6.077 11.781 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.920 10.848 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.738 11.900 -6.231 1.00 0.00 H new ATOM 760 N ARG A 60 -5.808 9.246 -6.050 1.00 0.00 N ATOM 761 CA ARG A 60 -5.353 8.073 -6.787 1.00 0.00 C ATOM 762 C ARG A 60 -5.242 6.867 -5.862 1.00 0.00 C ATOM 763 O ARG A 60 -5.582 5.745 -6.238 1.00 0.00 O ATOM 764 CB ARG A 60 -4.002 8.350 -7.449 1.00 0.00 C ATOM 765 CG ARG A 60 -4.026 9.524 -8.416 1.00 0.00 C ATOM 766 CD ARG A 60 -2.628 10.059 -8.681 1.00 0.00 C ATOM 767 NE ARG A 60 -2.424 11.375 -8.081 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.460 12.218 -8.450 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.609 11.884 -9.411 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.347 13.397 -7.853 1.00 0.00 N ATOM 0 H ARG A 60 -5.271 9.451 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.087 7.852 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.260 8.544 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.679 7.457 -7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.481 9.213 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.649 10.320 -8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.891 9.361 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.461 10.121 -9.756 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.057 11.666 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.690 10.978 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.127 12.533 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.998 13.658 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.609 14.043 -8.135 1.00 0.00 H new ATOM 784 N LEU A 61 -4.763 7.112 -4.649 1.00 0.00 N ATOM 785 CA LEU A 61 -4.602 6.058 -3.656 1.00 0.00 C ATOM 786 C LEU A 61 -5.927 5.361 -3.377 1.00 0.00 C ATOM 787 O LEU A 61 -6.988 5.985 -3.405 1.00 0.00 O ATOM 788 CB LEU A 61 -4.038 6.634 -2.353 1.00 0.00 C ATOM 789 CG LEU A 61 -2.909 7.660 -2.507 1.00 0.00 C ATOM 790 CD1 LEU A 61 -2.104 7.416 -3.778 1.00 0.00 C ATOM 791 CD2 LEU A 61 -3.467 9.073 -2.487 1.00 0.00 C ATOM 0 H LEU A 61 -4.478 8.037 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.902 5.325 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.854 7.101 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.672 5.809 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.233 7.542 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.312 8.161 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.663 6.420 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.760 7.492 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.652 9.788 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.172 9.197 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.978 9.249 -1.540 1.00 0.00 H new ATOM 803 N ARG A 62 -5.856 4.065 -3.101 1.00 0.00 N ATOM 804 CA ARG A 62 -7.046 3.281 -2.807 1.00 0.00 C ATOM 805 C ARG A 62 -6.878 2.538 -1.487 1.00 0.00 C ATOM 806 O ARG A 62 -5.851 1.904 -1.248 1.00 0.00 O ATOM 807 CB ARG A 62 -7.325 2.287 -3.936 1.00 0.00 C ATOM 808 CG ARG A 62 -7.246 2.905 -5.323 1.00 0.00 C ATOM 809 CD ARG A 62 -8.567 3.538 -5.733 1.00 0.00 C ATOM 810 NE ARG A 62 -9.177 4.301 -4.647 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.107 3.819 -3.823 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.531 2.565 -3.941 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.613 4.591 -2.871 1.00 0.00 N ATOM 0 H ARG A 62 -4.985 3.535 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.894 3.961 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.610 1.466 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.317 1.858 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.460 3.660 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.969 2.139 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.403 4.194 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.256 2.758 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.872 5.265 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.144 1.962 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.243 2.205 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.290 5.553 -2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.325 4.223 -2.240 1.00 0.00 H new ATOM 827 N VAL A 63 -7.888 2.629 -0.629 1.00 0.00 N ATOM 828 CA VAL A 63 -7.847 1.974 0.672 1.00 0.00 C ATOM 829 C VAL A 63 -7.889 0.452 0.528 1.00 0.00 C ATOM 830 O VAL A 63 -8.862 -0.191 0.923 1.00 0.00 O ATOM 831 CB VAL A 63 -9.015 2.429 1.566 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.846 1.895 2.980 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.125 3.946 1.570 1.00 0.00 C ATOM 0 H VAL A 63 -8.745 3.150 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.907 2.263 1.141 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.940 2.022 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.681 2.227 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.823 0.805 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.913 2.269 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.956 4.249 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.199 4.377 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.299 4.301 0.554 1.00 0.00 H new ATOM 843 N ASN A 64 -6.828 -0.121 -0.040 1.00 0.00 N ATOM 844 CA ASN A 64 -6.748 -1.571 -0.234 1.00 0.00 C ATOM 845 C ASN A 64 -5.544 -1.964 -1.093 1.00 0.00 C ATOM 846 O ASN A 64 -5.083 -3.105 -1.040 1.00 0.00 O ATOM 847 CB ASN A 64 -8.031 -2.099 -0.882 1.00 0.00 C ATOM 848 CG ASN A 64 -8.521 -1.210 -2.009 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.028 -1.285 -3.134 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.496 -0.360 -1.709 1.00 0.00 N ATOM 0 H ASN A 64 -6.013 0.394 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.626 -2.020 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.853 -3.103 -1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.810 -2.181 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.866 0.265 -2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.875 -0.332 -0.762 1.00 0.00 H new ATOM 857 N ASP A 65 -5.039 -1.023 -1.889 1.00 0.00 N ATOM 858 CA ASP A 65 -3.897 -1.285 -2.758 1.00 0.00 C ATOM 859 C ASP A 65 -2.685 -1.732 -1.950 1.00 0.00 C ATOM 860 O ASP A 65 -2.530 -1.357 -0.789 1.00 0.00 O ATOM 861 CB ASP A 65 -3.551 -0.036 -3.569 1.00 0.00 C ATOM 862 CG ASP A 65 -4.509 0.189 -4.724 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.205 -0.772 -5.114 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.563 1.326 -5.238 1.00 0.00 O ATOM 0 H ASP A 65 -5.404 -0.072 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.171 -2.090 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.566 0.835 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.536 -0.127 -3.955 1.00 0.00 H new ATOM 869 N GLN A 66 -1.827 -2.536 -2.573 1.00 0.00 N ATOM 870 CA GLN A 66 -0.629 -3.036 -1.908 1.00 0.00 C ATOM 871 C GLN A 66 0.610 -2.266 -2.352 1.00 0.00 C ATOM 872 O GLN A 66 0.972 -2.279 -3.528 1.00 0.00 O ATOM 873 CB GLN A 66 -0.445 -4.528 -2.195 1.00 0.00 C ATOM 874 CG GLN A 66 0.399 -5.251 -1.160 1.00 0.00 C ATOM 875 CD GLN A 66 1.821 -4.726 -1.095 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.675 -5.216 -1.986 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 2.149 -3.889 -0.254 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.940 -2.854 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.757 -2.890 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.425 -5.002 -2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.018 -4.646 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.067 -5.148 -0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.419 -6.316 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.461 -3.539 0.412 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.109 -3.546 -0.224 1.00 0.00 H new ATOM 886 N LEU A 67 1.261 -1.599 -1.404 1.00 0.00 N ATOM 887 CA LEU A 67 2.465 -0.830 -1.700 1.00 0.00 C ATOM 888 C LEU A 67 3.565 -1.740 -2.235 1.00 0.00 C ATOM 889 O LEU A 67 3.872 -2.772 -1.641 1.00 0.00 O ATOM 890 CB LEU A 67 2.951 -0.099 -0.448 1.00 0.00 C ATOM 891 CG LEU A 67 1.995 0.968 0.088 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.432 1.429 1.470 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.921 2.146 -0.871 1.00 0.00 C ATOM 0 H LEU A 67 0.975 -1.575 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 67 2.221 -0.093 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.129 -0.834 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.909 0.371 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 67 1.000 0.530 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.741 2.188 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.433 0.580 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.436 1.850 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.236 2.896 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.912 2.584 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.561 1.803 -1.841 1.00 0.00 H new ATOM 905 N ILE A 68 4.150 -1.356 -3.365 1.00 0.00 N ATOM 906 CA ILE A 68 5.210 -2.148 -3.981 1.00 0.00 C ATOM 907 C ILE A 68 6.526 -1.384 -4.040 1.00 0.00 C ATOM 908 O ILE A 68 7.599 -1.987 -4.036 1.00 0.00 O ATOM 909 CB ILE A 68 4.824 -2.588 -5.406 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.392 -3.124 -5.432 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.801 -3.635 -5.919 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.215 -4.415 -4.663 1.00 0.00 C ATOM 0 H ILE A 68 3.909 -0.504 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 68 5.341 -3.029 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 68 4.874 -1.720 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.723 -2.370 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.091 -3.283 -6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.515 -3.936 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.807 -3.216 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.781 -4.504 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.175 -4.736 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.858 -5.184 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.484 -4.256 -3.619 1.00 0.00 H new ATOM 924 N ALA A 69 6.449 -0.060 -4.101 1.00 0.00 N ATOM 925 CA ALA A 69 7.651 0.765 -4.165 1.00 0.00 C ATOM 926 C ALA A 69 7.361 2.211 -3.778 1.00 0.00 C ATOM 927 O ALA A 69 6.208 2.636 -3.731 1.00 0.00 O ATOM 928 CB ALA A 69 8.256 0.699 -5.562 1.00 0.00 C ATOM 0 H ALA A 69 5.574 0.463 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 69 8.368 0.370 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.152 1.318 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.517 -0.333 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.532 1.065 -6.290 1.00 0.00 H new ATOM 934 N VAL A 70 8.424 2.960 -3.499 1.00 0.00 N ATOM 935 CA VAL A 70 8.295 4.363 -3.113 1.00 0.00 C ATOM 936 C VAL A 70 9.573 5.140 -3.423 1.00 0.00 C ATOM 937 O VAL A 70 10.600 4.955 -2.770 1.00 0.00 O ATOM 938 CB VAL A 70 7.964 4.503 -1.612 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.070 3.901 -0.756 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.727 5.962 -1.246 1.00 0.00 C ATOM 0 H VAL A 70 9.385 2.619 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 70 7.474 4.780 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 70 7.045 3.951 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.815 4.011 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.179 2.843 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.008 4.417 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.495 6.038 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.624 6.542 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.892 6.352 -1.828 1.00 0.00 H new ATOM 950 N ASN A 71 9.497 6.012 -4.426 1.00 0.00 N ATOM 951 CA ASN A 71 10.643 6.823 -4.830 1.00 0.00 C ATOM 952 C ASN A 71 11.795 5.948 -5.310 1.00 0.00 C ATOM 953 O ASN A 71 12.960 6.220 -5.016 1.00 0.00 O ATOM 954 CB ASN A 71 11.110 7.701 -3.666 1.00 0.00 C ATOM 955 CG ASN A 71 10.065 8.719 -3.257 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.449 8.499 -2.103 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 9.817 9.693 -3.968 1.00 0.00 N flip ATOM 0 H ASN A 71 8.653 6.175 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 71 10.327 7.459 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.352 7.069 -2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.027 8.218 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.316 9.822 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.113 10.371 -3.677 1.00 0.00 H new ATOM 964 N GLY A 72 11.465 4.895 -6.051 1.00 0.00 N ATOM 965 CA GLY A 72 12.487 3.999 -6.558 1.00 0.00 C ATOM 966 C GLY A 72 12.752 2.831 -5.628 1.00 0.00 C ATOM 967 O GLY A 72 13.286 1.804 -6.049 1.00 0.00 O ATOM 0 H GLY A 72 10.510 4.647 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.181 3.620 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.412 4.556 -6.708 1.00 0.00 H new ATOM 971 N GLU A 73 12.380 2.983 -4.360 1.00 0.00 N ATOM 972 CA GLU A 73 12.579 1.929 -3.376 1.00 0.00 C ATOM 973 C GLU A 73 11.524 0.842 -3.538 1.00 0.00 C ATOM 974 O GLU A 73 10.382 1.124 -3.892 1.00 0.00 O ATOM 975 CB GLU A 73 12.528 2.506 -1.959 1.00 0.00 C ATOM 976 CG GLU A 73 13.883 2.556 -1.273 1.00 0.00 C ATOM 977 CD GLU A 73 14.052 1.465 -0.234 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.494 0.356 -0.604 1.00 0.00 O ATOM 979 OE2 GLU A 73 13.745 1.719 0.949 1.00 0.00 O ATOM 0 H GLU A 73 11.940 3.826 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 73 13.562 1.487 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.114 3.513 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.847 1.906 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.669 2.463 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.009 3.528 -0.797 1.00 0.00 H new ATOM 986 N SER A 74 11.917 -0.401 -3.284 1.00 0.00 N ATOM 987 CA SER A 74 11.000 -1.527 -3.407 1.00 0.00 C ATOM 988 C SER A 74 10.455 -1.939 -2.044 1.00 0.00 C ATOM 989 O SER A 74 11.183 -1.952 -1.051 1.00 0.00 O ATOM 990 CB SER A 74 11.707 -2.709 -4.072 1.00 0.00 C ATOM 991 OG SER A 74 11.029 -3.925 -3.808 1.00 0.00 O ATOM 0 H SER A 74 12.861 -0.654 -2.993 1.00 0.00 H new ATOM 0 HA SER A 74 10.160 -1.218 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.761 -2.546 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.732 -2.775 -3.708 1.00 0.00 H new ATOM 0 HG SER A 74 11.501 -4.664 -4.246 1.00 0.00 H new ATOM 997 N LEU A 75 9.170 -2.271 -2.006 1.00 0.00 N ATOM 998 CA LEU A 75 8.522 -2.679 -0.766 1.00 0.00 C ATOM 999 C LEU A 75 8.124 -4.153 -0.812 1.00 0.00 C ATOM 1000 O LEU A 75 8.035 -4.811 0.224 1.00 0.00 O ATOM 1001 CB LEU A 75 7.282 -1.816 -0.505 1.00 0.00 C ATOM 1002 CG LEU A 75 7.552 -0.417 0.056 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.264 0.193 0.591 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.611 -0.462 1.148 1.00 0.00 C ATOM 0 H LEU A 75 8.556 -2.266 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 75 9.236 -2.539 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.731 -1.712 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.632 -2.347 0.191 1.00 0.00 H new ATOM 0 HG LEU A 75 7.928 0.208 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.469 1.188 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.534 0.267 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.865 -0.438 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.784 0.545 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.269 -1.104 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.540 -0.859 0.738 1.00 0.00 H new ATOM 1016 N LEU A 76 7.885 -4.666 -2.017 1.00 0.00 N ATOM 1017 CA LEU A 76 7.493 -6.064 -2.191 1.00 0.00 C ATOM 1018 C LEU A 76 8.409 -6.994 -1.399 1.00 0.00 C ATOM 1019 O LEU A 76 7.945 -7.928 -0.745 1.00 0.00 O ATOM 1020 CB LEU A 76 7.517 -6.441 -3.672 1.00 0.00 C ATOM 1021 CG LEU A 76 8.859 -6.234 -4.372 1.00 0.00 C ATOM 1022 CD1 LEU A 76 9.659 -7.529 -4.381 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.647 -5.726 -5.790 1.00 0.00 C ATOM 0 H LEU A 76 7.956 -4.136 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 76 6.478 -6.179 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.232 -7.489 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.759 -5.855 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 76 9.425 -5.484 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.612 -7.364 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.840 -7.852 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.098 -8.299 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.613 -5.584 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.062 -6.453 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.113 -4.776 -5.760 1.00 0.00 H new ATOM 1035 N GLY A 77 9.710 -6.727 -1.456 1.00 0.00 N ATOM 1036 CA GLY A 77 10.665 -7.547 -0.733 1.00 0.00 C ATOM 1037 C GLY A 77 10.669 -7.239 0.751 1.00 0.00 C ATOM 1038 O GLY A 77 10.934 -8.115 1.575 1.00 0.00 O ATOM 0 H GLY A 77 10.119 -5.959 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.426 -8.600 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.663 -7.385 -1.140 1.00 0.00 H new ATOM 1042 N LYS A 78 10.371 -5.990 1.089 1.00 0.00 N ATOM 1043 CA LYS A 78 10.335 -5.556 2.481 1.00 0.00 C ATOM 1044 C LYS A 78 9.111 -6.106 3.190 1.00 0.00 C ATOM 1045 O LYS A 78 8.019 -6.161 2.625 1.00 0.00 O ATOM 1046 CB LYS A 78 10.338 -4.033 2.559 1.00 0.00 C ATOM 1047 CG LYS A 78 11.733 -3.443 2.584 1.00 0.00 C ATOM 1048 CD LYS A 78 11.709 -1.959 2.893 1.00 0.00 C ATOM 1049 CE LYS A 78 13.085 -1.450 3.279 1.00 0.00 C ATOM 1050 NZ LYS A 78 13.686 -0.602 2.211 1.00 0.00 N ATOM 0 H LYS A 78 10.150 -5.257 0.415 1.00 0.00 H new ATOM 0 HA LYS A 78 11.225 -5.942 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.795 -3.630 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.801 -3.720 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.334 -3.961 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.214 -3.606 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.348 -1.411 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.008 -1.766 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.013 -0.874 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.741 -2.297 3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.684 -0.415 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.624 -1.097 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.170 0.299 2.152 1.00 0.00 H new ATOM 1064 N ALA A 79 9.302 -6.504 4.438 1.00 0.00 N ATOM 1065 CA ALA A 79 8.220 -7.040 5.238 1.00 0.00 C ATOM 1066 C ALA A 79 7.296 -5.919 5.683 1.00 0.00 C ATOM 1067 O ALA A 79 7.415 -4.786 5.215 1.00 0.00 O ATOM 1068 CB ALA A 79 8.776 -7.786 6.440 1.00 0.00 C ATOM 0 H ALA A 79 10.201 -6.464 4.917 1.00 0.00 H new ATOM 0 HA ALA A 79 7.646 -7.742 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.953 -8.184 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.408 -8.606 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.367 -7.103 7.051 1.00 0.00 H new ATOM 1074 N ASN A 80 6.383 -6.229 6.589 1.00 0.00 N ATOM 1075 CA ASN A 80 5.454 -5.226 7.087 1.00 0.00 C ATOM 1076 C ASN A 80 6.212 -4.101 7.786 1.00 0.00 C ATOM 1077 O ASN A 80 5.929 -2.924 7.574 1.00 0.00 O ATOM 1078 CB ASN A 80 4.442 -5.856 8.052 1.00 0.00 C ATOM 1079 CG ASN A 80 3.995 -7.242 7.620 1.00 0.00 C ATOM 1080 OD1 ASN A 80 3.780 -8.123 8.453 1.00 0.00 O ATOM 1081 ND2 ASN A 80 3.853 -7.443 6.315 1.00 0.00 N ATOM 0 H ASN A 80 6.265 -7.158 6.992 1.00 0.00 H new ATOM 0 HA ASN A 80 4.912 -4.812 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.885 -5.916 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.570 -5.207 8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.555 -8.355 5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.042 -6.685 5.659 1.00 0.00 H new ATOM 1088 N GLN A 81 7.173 -4.478 8.623 1.00 0.00 N ATOM 1089 CA GLN A 81 7.970 -3.510 9.371 1.00 0.00 C ATOM 1090 C GLN A 81 8.916 -2.712 8.469 1.00 0.00 C ATOM 1091 O GLN A 81 9.022 -1.492 8.604 1.00 0.00 O ATOM 1092 CB GLN A 81 8.769 -4.213 10.470 1.00 0.00 C ATOM 1093 CG GLN A 81 9.478 -5.476 10.002 1.00 0.00 C ATOM 1094 CD GLN A 81 10.979 -5.418 10.212 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.576 -4.272 9.902 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.596 -6.391 10.648 1.00 0.00 N flip ATOM 0 H GLN A 81 7.420 -5.451 8.801 1.00 0.00 H new ATOM 0 HA GLN A 81 7.272 -2.804 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.509 -3.519 10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.096 -4.467 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.073 -6.334 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.269 -5.634 8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.097 -7.252 10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.605 -6.336 10.784 1.00 0.00 H new ATOM 1105 N GLU A 82 9.616 -3.393 7.564 1.00 0.00 N ATOM 1106 CA GLU A 82 10.559 -2.719 6.674 1.00 0.00 C ATOM 1107 C GLU A 82 9.851 -1.735 5.757 1.00 0.00 C ATOM 1108 O GLU A 82 10.312 -0.610 5.565 1.00 0.00 O ATOM 1109 CB GLU A 82 11.324 -3.738 5.831 1.00 0.00 C ATOM 1110 CG GLU A 82 12.167 -4.700 6.646 1.00 0.00 C ATOM 1111 CD GLU A 82 13.165 -3.990 7.542 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.413 -2.786 7.316 1.00 0.00 O ATOM 1113 OE2 GLU A 82 13.701 -4.638 8.464 1.00 0.00 O ATOM 0 H GLU A 82 9.549 -4.402 7.428 1.00 0.00 H new ATOM 0 HA GLU A 82 11.260 -2.167 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.612 -4.309 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.970 -3.206 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.513 -5.321 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.702 -5.369 5.972 1.00 0.00 H new ATOM 1120 N ALA A 83 8.733 -2.156 5.186 1.00 0.00 N ATOM 1121 CA ALA A 83 7.983 -1.294 4.292 1.00 0.00 C ATOM 1122 C ALA A 83 7.372 -0.144 5.070 1.00 0.00 C ATOM 1123 O ALA A 83 7.255 0.973 4.566 1.00 0.00 O ATOM 1124 CB ALA A 83 6.921 -2.087 3.554 1.00 0.00 C ATOM 0 H ALA A 83 8.329 -3.082 5.325 1.00 0.00 H new ATOM 0 HA ALA A 83 8.662 -0.878 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.369 -1.424 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.396 -2.875 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.234 -2.533 4.273 1.00 0.00 H new ATOM 1130 N MET A 84 7.003 -0.422 6.315 1.00 0.00 N ATOM 1131 CA MET A 84 6.429 0.597 7.177 1.00 0.00 C ATOM 1132 C MET A 84 7.488 1.626 7.543 1.00 0.00 C ATOM 1133 O MET A 84 7.183 2.796 7.776 1.00 0.00 O ATOM 1134 CB MET A 84 5.847 -0.027 8.442 1.00 0.00 C ATOM 1135 CG MET A 84 4.336 -0.109 8.407 1.00 0.00 C ATOM 1136 SD MET A 84 3.673 -1.290 9.589 1.00 0.00 S ATOM 1137 CE MET A 84 3.423 -2.691 8.510 1.00 0.00 C ATOM 0 H MET A 84 7.092 -1.342 6.746 1.00 0.00 H new ATOM 0 HA MET A 84 5.622 1.090 6.635 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.259 -1.028 8.572 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.156 0.559 9.307 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.919 0.877 8.613 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.015 -0.388 7.403 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.355 -2.866 8.382 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.876 -2.488 7.540 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.885 -3.575 8.949 1.00 0.00 H new ATOM 1147 N GLU A 85 8.742 1.180 7.579 1.00 0.00 N ATOM 1148 CA GLU A 85 9.856 2.056 7.904 1.00 0.00 C ATOM 1149 C GLU A 85 10.296 2.817 6.660 1.00 0.00 C ATOM 1150 O GLU A 85 10.637 3.996 6.730 1.00 0.00 O ATOM 1151 CB GLU A 85 11.018 1.245 8.513 1.00 0.00 C ATOM 1152 CG GLU A 85 12.040 0.717 7.509 1.00 0.00 C ATOM 1153 CD GLU A 85 13.410 0.523 8.128 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.477 0.086 9.296 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.416 0.808 7.444 1.00 0.00 O ATOM 0 H GLU A 85 9.008 0.214 7.386 1.00 0.00 H new ATOM 0 HA GLU A 85 9.537 2.783 8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.536 1.872 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.602 0.400 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.690 -0.232 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.117 1.412 6.673 1.00 0.00 H new ATOM 1162 N THR A 86 10.260 2.137 5.518 1.00 0.00 N ATOM 1163 CA THR A 86 10.626 2.754 4.253 1.00 0.00 C ATOM 1164 C THR A 86 9.629 3.858 3.930 1.00 0.00 C ATOM 1165 O THR A 86 9.998 4.926 3.444 1.00 0.00 O ATOM 1166 CB THR A 86 10.653 1.708 3.134 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.880 1.000 3.140 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.472 2.294 1.749 1.00 0.00 C ATOM 0 H THR A 86 9.981 1.159 5.445 1.00 0.00 H new ATOM 0 HA THR A 86 11.625 3.183 4.335 1.00 0.00 H new ATOM 0 HB THR A 86 9.810 1.049 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.624 1.636 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.502 1.494 1.009 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.511 2.805 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.273 3.005 1.547 1.00 0.00 H new ATOM 1176 N LEU A 87 8.364 3.593 4.235 1.00 0.00 N ATOM 1177 CA LEU A 87 7.309 4.567 4.014 1.00 0.00 C ATOM 1178 C LEU A 87 7.526 5.724 4.967 1.00 0.00 C ATOM 1179 O LEU A 87 7.600 6.881 4.557 1.00 0.00 O ATOM 1180 CB LEU A 87 5.933 3.939 4.241 1.00 0.00 C ATOM 1181 CG LEU A 87 5.510 2.912 3.189 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.372 2.050 3.713 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.103 3.609 1.899 1.00 0.00 C ATOM 0 H LEU A 87 8.047 2.710 4.636 1.00 0.00 H new ATOM 0 HA LEU A 87 7.342 4.919 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.926 3.459 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.188 4.734 4.271 1.00 0.00 H new ATOM 0 HG LEU A 87 6.361 2.265 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.084 1.325 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.698 1.524 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.517 2.682 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.805 2.864 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.266 4.279 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.946 4.184 1.514 1.00 0.00 H new ATOM 1195 N ARG A 88 7.674 5.390 6.245 1.00 0.00 N ATOM 1196 CA ARG A 88 7.936 6.388 7.266 1.00 0.00 C ATOM 1197 C ARG A 88 9.203 7.151 6.904 1.00 0.00 C ATOM 1198 O ARG A 88 9.333 8.342 7.186 1.00 0.00 O ATOM 1199 CB ARG A 88 8.093 5.723 8.635 1.00 0.00 C ATOM 1200 CG ARG A 88 6.788 5.196 9.209 1.00 0.00 C ATOM 1201 CD ARG A 88 7.034 4.221 10.349 1.00 0.00 C ATOM 1202 NE ARG A 88 5.806 3.907 11.077 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.244 4.723 11.967 1.00 0.00 C ATOM 1204 NH1 ARG A 88 5.795 5.900 12.241 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.127 4.360 12.583 1.00 0.00 N ATOM 0 H ARG A 88 7.616 4.434 6.595 1.00 0.00 H new ATOM 0 HA ARG A 88 7.096 7.080 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.802 4.899 8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.522 6.443 9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.183 6.030 9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.217 4.702 8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.465 3.302 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.765 4.645 11.037 1.00 0.00 H new ATOM 0 HE ARG A 88 5.354 3.012 10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.653 6.184 11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.360 6.520 12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.700 3.457 12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.695 4.983 13.265 1.00 0.00 H new ATOM 1219 N ARG A 89 10.126 6.445 6.256 1.00 0.00 N ATOM 1220 CA ARG A 89 11.384 7.036 5.826 1.00 0.00 C ATOM 1221 C ARG A 89 11.138 8.055 4.727 1.00 0.00 C ATOM 1222 O ARG A 89 11.744 9.127 4.707 1.00 0.00 O ATOM 1223 CB ARG A 89 12.336 5.951 5.314 1.00 0.00 C ATOM 1224 CG ARG A 89 13.500 5.682 6.245 1.00 0.00 C ATOM 1225 CD ARG A 89 14.570 4.836 5.574 1.00 0.00 C ATOM 1226 NE ARG A 89 15.594 4.395 6.518 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.785 3.928 6.156 1.00 0.00 C ATOM 1228 NH1 ARG A 89 17.109 3.839 4.871 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.658 3.549 7.080 1.00 0.00 N ATOM 0 H ARG A 89 10.023 5.459 6.018 1.00 0.00 H new ATOM 0 HA ARG A 89 11.839 7.534 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.777 5.027 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.722 6.248 4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.934 6.628 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.141 5.173 7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.106 3.965 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.038 5.411 4.775 1.00 0.00 H new ATOM 0 HE ARG A 89 15.383 4.449 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.443 4.130 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.024 3.480 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.416 3.616 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.572 3.191 6.802 1.00 0.00 H new ATOM 1243 N SER A 90 10.247 7.705 3.809 1.00 0.00 N ATOM 1244 CA SER A 90 9.920 8.581 2.699 1.00 0.00 C ATOM 1245 C SER A 90 9.120 9.787 3.177 1.00 0.00 C ATOM 1246 O SER A 90 9.397 10.924 2.793 1.00 0.00 O ATOM 1247 CB SER A 90 9.136 7.815 1.632 1.00 0.00 C ATOM 1248 OG SER A 90 9.779 7.897 0.372 1.00 0.00 O ATOM 0 H SER A 90 9.739 6.820 3.814 1.00 0.00 H new ATOM 0 HA SER A 90 10.852 8.940 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.039 6.770 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.127 8.220 1.556 1.00 0.00 H new ATOM 0 HG SER A 90 9.129 8.166 -0.310 1.00 0.00 H new ATOM 1254 N MET A 91 8.129 9.529 4.021 1.00 0.00 N ATOM 1255 CA MET A 91 7.284 10.588 4.561 1.00 0.00 C ATOM 1256 C MET A 91 8.026 11.398 5.622 1.00 0.00 C ATOM 1257 O MET A 91 7.563 12.461 6.038 1.00 0.00 O ATOM 1258 CB MET A 91 6.012 9.992 5.173 1.00 0.00 C ATOM 1259 CG MET A 91 5.298 8.997 4.272 1.00 0.00 C ATOM 1260 SD MET A 91 5.004 9.634 2.613 1.00 0.00 S ATOM 1261 CE MET A 91 4.485 8.141 1.773 1.00 0.00 C ATOM 0 H MET A 91 7.890 8.593 4.348 1.00 0.00 H new ATOM 0 HA MET A 91 7.017 11.252 3.739 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.269 9.498 6.110 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.325 10.802 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.891 8.085 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.345 8.724 4.725 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.163 8.386 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.318 7.440 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.657 7.687 2.317 1.00 0.00 H new ATOM 1271 N SER A 92 9.171 10.887 6.070 1.00 0.00 N ATOM 1272 CA SER A 92 9.956 11.565 7.099 1.00 0.00 C ATOM 1273 C SER A 92 10.933 12.575 6.507 1.00 0.00 C ATOM 1274 O SER A 92 10.999 13.720 6.957 1.00 0.00 O ATOM 1275 CB SER A 92 10.722 10.545 7.940 1.00 0.00 C ATOM 1276 OG SER A 92 11.468 9.662 7.119 1.00 0.00 O ATOM 0 H SER A 92 9.574 10.011 5.739 1.00 0.00 H new ATOM 0 HA SER A 92 9.253 12.110 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.393 11.064 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.023 9.974 8.551 1.00 0.00 H new ATOM 0 HG SER A 92 11.310 9.880 6.177 1.00 0.00 H new ATOM 1282 N THR A 93 11.705 12.151 5.512 1.00 0.00 N ATOM 1283 CA THR A 93 12.689 13.033 4.892 1.00 0.00 C ATOM 1284 C THR A 93 13.403 12.356 3.723 1.00 0.00 C ATOM 1285 O THR A 93 14.619 12.169 3.751 1.00 0.00 O ATOM 1286 CB THR A 93 13.722 13.461 5.933 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.645 14.381 5.381 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.508 12.293 6.490 1.00 0.00 C ATOM 0 H THR A 93 11.670 11.210 5.120 1.00 0.00 H new ATOM 0 HA THR A 93 12.157 13.902 4.505 1.00 0.00 H new ATOM 0 HB THR A 93 13.154 13.922 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.142 13.950 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.227 12.656 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.825 11.589 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.038 11.792 5.680 1.00 0.00 H new ATOM 1296 N GLU A 94 12.644 12.005 2.694 1.00 0.00 N ATOM 1297 CA GLU A 94 13.200 11.364 1.509 1.00 0.00 C ATOM 1298 C GLU A 94 12.188 11.421 0.385 1.00 0.00 C ATOM 1299 O GLU A 94 12.488 11.875 -0.721 1.00 0.00 O ATOM 1300 CB GLU A 94 13.573 9.910 1.805 1.00 0.00 C ATOM 1301 CG GLU A 94 14.847 9.760 2.617 1.00 0.00 C ATOM 1302 CD GLU A 94 15.598 8.483 2.299 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.414 7.948 1.184 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.371 8.017 3.162 1.00 0.00 O ATOM 0 H GLU A 94 11.636 12.154 2.656 1.00 0.00 H new ATOM 0 HA GLU A 94 14.105 11.895 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.752 9.436 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.688 9.375 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.496 10.615 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.600 9.776 3.679 1.00 0.00 H new ATOM 1311 N GLY A 95 10.975 10.984 0.686 1.00 0.00 N ATOM 1312 CA GLY A 95 9.917 11.024 -0.293 1.00 0.00 C ATOM 1313 C GLY A 95 9.584 12.451 -0.655 1.00 0.00 C ATOM 1314 O GLY A 95 9.194 12.743 -1.783 1.00 0.00 O ATOM 0 H GLY A 95 10.707 10.602 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.219 10.477 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.031 10.526 0.100 1.00 0.00 H new ATOM 1318 N ASN A 96 9.765 13.348 0.311 1.00 0.00 N ATOM 1319 CA ASN A 96 9.506 14.760 0.097 1.00 0.00 C ATOM 1320 C ASN A 96 10.760 15.440 -0.457 1.00 0.00 C ATOM 1321 O ASN A 96 11.122 15.223 -1.611 1.00 0.00 O ATOM 1322 CB ASN A 96 9.042 15.429 1.399 1.00 0.00 C ATOM 1323 CG ASN A 96 8.822 16.925 1.239 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.353 17.334 0.065 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.071 17.700 2.160 1.00 0.00 N flip ATOM 0 H ASN A 96 10.091 13.117 1.249 1.00 0.00 H new ATOM 0 HA ASN A 96 8.704 14.867 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.115 14.962 1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.785 15.256 2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.430 17.342 3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.919 18.701 2.039 1.00 0.00 H new ATOM 1332 N LYS A 97 11.427 16.259 0.360 1.00 0.00 N ATOM 1333 CA LYS A 97 12.638 16.952 -0.072 1.00 0.00 C ATOM 1334 C LYS A 97 12.431 17.684 -1.403 1.00 0.00 C ATOM 1335 O LYS A 97 13.397 18.115 -2.035 1.00 0.00 O ATOM 1336 CB LYS A 97 13.786 15.946 -0.196 1.00 0.00 C ATOM 1337 CG LYS A 97 14.105 15.221 1.103 1.00 0.00 C ATOM 1338 CD LYS A 97 14.353 16.197 2.244 1.00 0.00 C ATOM 1339 CE LYS A 97 13.163 16.271 3.188 1.00 0.00 C ATOM 1340 NZ LYS A 97 12.789 17.678 3.499 1.00 0.00 N ATOM 0 H LYS A 97 11.148 16.457 1.321 1.00 0.00 H new ATOM 0 HA LYS A 97 12.884 17.703 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.532 15.211 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.679 16.468 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.279 14.559 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.985 14.593 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.240 15.891 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.558 17.188 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.311 15.759 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.400 15.745 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.198 17.699 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.650 18.239 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.257 18.080 2.701 1.00 0.00 H new ATOM 1354 N ARG A 98 11.171 17.821 -1.831 1.00 0.00 N ATOM 1355 CA ARG A 98 10.851 18.494 -3.086 1.00 0.00 C ATOM 1356 C ARG A 98 9.437 19.063 -3.039 1.00 0.00 C ATOM 1357 O ARG A 98 9.187 20.191 -3.465 1.00 0.00 O ATOM 1358 CB ARG A 98 10.960 17.529 -4.280 1.00 0.00 C ATOM 1359 CG ARG A 98 11.918 16.360 -4.081 1.00 0.00 C ATOM 1360 CD ARG A 98 11.227 15.023 -4.304 1.00 0.00 C ATOM 1361 NE ARG A 98 11.132 14.686 -5.723 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.937 13.451 -6.179 1.00 0.00 C ATOM 1363 NH1 ARG A 98 10.808 12.434 -5.336 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.867 13.231 -7.486 1.00 0.00 N ATOM 0 H ARG A 98 10.358 17.473 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 98 11.571 19.302 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.968 17.133 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.278 18.094 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.757 16.456 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.329 16.394 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.776 14.240 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.227 15.055 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 98 11.220 15.441 -6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.858 12.596 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.659 11.491 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.963 14.008 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.718 12.285 -7.837 1.00 0.00 H new ATOM 1378 N GLY A 99 8.516 18.258 -2.526 1.00 0.00 N ATOM 1379 CA GLY A 99 7.124 18.660 -2.431 1.00 0.00 C ATOM 1380 C GLY A 99 6.180 17.576 -2.925 1.00 0.00 C ATOM 1381 O GLY A 99 5.017 17.847 -3.222 1.00 0.00 O ATOM 0 H GLY A 99 8.711 17.322 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.887 18.902 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.969 19.568 -3.014 1.00 0.00 H new ATOM 1385 N MET A 100 6.689 16.348 -3.014 1.00 0.00 N ATOM 1386 CA MET A 100 5.905 15.214 -3.476 1.00 0.00 C ATOM 1387 C MET A 100 6.731 13.931 -3.446 1.00 0.00 C ATOM 1388 O MET A 100 7.960 13.976 -3.414 1.00 0.00 O ATOM 1389 CB MET A 100 5.397 15.476 -4.893 1.00 0.00 C ATOM 1390 CG MET A 100 6.461 15.331 -5.972 1.00 0.00 C ATOM 1391 SD MET A 100 5.901 14.342 -7.373 1.00 0.00 S ATOM 1392 CE MET A 100 5.328 12.867 -6.535 1.00 0.00 C ATOM 0 H MET A 100 7.652 16.117 -2.768 1.00 0.00 H new ATOM 0 HA MET A 100 5.055 15.088 -2.805 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.581 14.786 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.984 16.484 -4.939 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.753 16.320 -6.324 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.350 14.872 -5.540 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.235 12.053 -7.254 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.042 12.588 -5.761 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.357 13.061 -6.080 1.00 0.00 H new ATOM 1402 N ILE A 101 6.047 12.791 -3.468 1.00 0.00 N ATOM 1403 CA ILE A 101 6.720 11.496 -3.449 1.00 0.00 C ATOM 1404 C ILE A 101 5.950 10.475 -4.287 1.00 0.00 C ATOM 1405 O ILE A 101 4.719 10.475 -4.304 1.00 0.00 O ATOM 1406 CB ILE A 101 6.922 10.973 -1.998 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.334 9.572 -1.804 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.313 11.935 -0.990 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.550 9.025 -0.408 1.00 0.00 C ATOM 0 H ILE A 101 5.029 12.737 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 101 7.708 11.634 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 101 7.997 10.909 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.265 9.601 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.784 8.892 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.465 11.550 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.792 12.910 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.245 12.035 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.111 8.030 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.619 8.966 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.076 9.685 0.319 1.00 0.00 H new ATOM 1421 N GLN A 102 6.684 9.614 -4.985 1.00 0.00 N ATOM 1422 CA GLN A 102 6.071 8.597 -5.828 1.00 0.00 C ATOM 1423 C GLN A 102 5.967 7.270 -5.086 1.00 0.00 C ATOM 1424 O GLN A 102 6.853 6.910 -4.312 1.00 0.00 O ATOM 1425 CB GLN A 102 6.880 8.414 -7.114 1.00 0.00 C ATOM 1426 CG GLN A 102 6.206 7.511 -8.135 1.00 0.00 C ATOM 1427 CD GLN A 102 6.969 7.436 -9.441 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.433 7.745 -10.506 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.230 7.025 -9.367 1.00 0.00 N ATOM 0 H GLN A 102 7.704 9.601 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 102 5.066 8.930 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.055 9.391 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.856 7.999 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.107 6.509 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.198 7.877 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.634 6.779 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.794 6.955 -10.214 1.00 0.00 H new ATOM 1438 N LEU A 103 4.881 6.547 -5.329 1.00 0.00 N ATOM 1439 CA LEU A 103 4.663 5.260 -4.684 1.00 0.00 C ATOM 1440 C LEU A 103 3.977 4.282 -5.630 1.00 0.00 C ATOM 1441 O LEU A 103 2.929 4.585 -6.202 1.00 0.00 O ATOM 1442 CB LEU A 103 3.820 5.434 -3.419 1.00 0.00 C ATOM 1443 CG LEU A 103 4.444 6.325 -2.340 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.737 7.670 -2.282 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.394 5.636 -0.984 1.00 0.00 C ATOM 0 H LEU A 103 4.138 6.830 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 103 5.637 4.853 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.854 5.853 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.629 4.450 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 103 5.488 6.498 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.194 8.289 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.826 8.169 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.683 7.517 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.842 6.284 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.357 5.432 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.948 4.698 -1.032 1.00 0.00 H new ATOM 1457 N ILE A 104 4.572 3.104 -5.785 1.00 0.00 N ATOM 1458 CA ILE A 104 4.017 2.075 -6.651 1.00 0.00 C ATOM 1459 C ILE A 104 3.159 1.108 -5.850 1.00 0.00 C ATOM 1460 O ILE A 104 3.477 0.777 -4.708 1.00 0.00 O ATOM 1461 CB ILE A 104 5.118 1.289 -7.385 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.984 2.237 -8.211 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.506 0.215 -8.277 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.195 3.106 -9.165 1.00 0.00 C ATOM 0 H ILE A 104 5.441 2.840 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 104 3.403 2.582 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 104 5.747 0.800 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.552 2.877 -7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.707 1.652 -8.780 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.300 -0.330 -8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.925 -0.477 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.855 0.683 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.877 3.753 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.648 2.474 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.491 3.718 -8.602 1.00 0.00 H new ATOM 1476 N VAL A 105 2.069 0.663 -6.456 1.00 0.00 N ATOM 1477 CA VAL A 105 1.158 -0.265 -5.799 1.00 0.00 C ATOM 1478 C VAL A 105 0.733 -1.386 -6.737 1.00 0.00 C ATOM 1479 O VAL A 105 0.743 -1.228 -7.958 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.099 0.458 -5.279 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.268 1.449 -4.186 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.824 1.154 -6.420 1.00 0.00 C ATOM 0 H VAL A 105 1.793 0.929 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 105 1.701 -0.692 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.772 -0.285 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.633 1.950 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.739 0.919 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.962 2.189 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.709 1.659 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.160 1.886 -6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.123 0.416 -7.165 1.00 0.00 H new ATOM 1492 N ALA A 106 0.355 -2.519 -6.155 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.081 -3.671 -6.931 1.00 0.00 C ATOM 1494 C ALA A 106 -1.517 -4.046 -6.582 1.00 0.00 C ATOM 1495 O ALA A 106 -1.947 -3.903 -5.436 1.00 0.00 O ATOM 1496 CB ALA A 106 0.849 -4.851 -6.692 1.00 0.00 C ATOM 0 H ALA A 106 0.342 -2.663 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.045 -3.406 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.511 -5.705 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.862 -4.583 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.841 -5.112 -5.634 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.255 -4.524 -7.577 1.00 0.00 N ATOM 1503 CA ARG A 107 -3.643 -4.918 -7.378 1.00 0.00 C ATOM 1504 C ARG A 107 -3.973 -6.168 -8.187 1.00 0.00 C ATOM 1505 O ARG A 107 -3.502 -6.332 -9.313 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.580 -3.776 -7.777 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.999 -3.945 -7.263 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.963 -3.006 -7.969 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.367 -1.893 -7.112 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.463 -1.164 -7.310 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -9.265 -1.421 -8.336 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.758 -0.174 -6.479 1.00 0.00 N ATOM 0 H ARG A 107 -1.914 -4.648 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.785 -5.143 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.175 -2.837 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.603 -3.699 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.320 -4.976 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.024 -3.754 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.494 -2.617 -8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.847 -3.562 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.774 -1.661 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.043 -2.181 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.103 -0.858 -8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.145 0.028 -5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.598 0.385 -6.630 1.00 0.00 H new